A0A077Z0V5_TRITR Loading...

Glycosyl hydrolase family 31 protein

AlphaFold DB , UniProt , Accession A0A077Z0V5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 969 aa.

						>A0A077Z0V5_TRITR|A0A077Z0V5
MPSEMLRRRWIPMAVIASAVLILIIVIVAVSVPVSQNQEQVEPIDEHLRVDCHPDPNENERACRRRGCSWTVPTENYSAPSCYYPTSYGYALSGKESAAKLILQRLTIANEKDPVSTPIEELVLTYEFFDDEIAHVKIVDKAQSRYEVPFSLWPDGEPPSGTSSHRLSFNGYNISGKFVFEILDQQRPLFNTSIGGLVYNEQFLQIATYLSSDVLYGFGENAHQTFRHNLSTFKTWPMFSRDQPPQSETEHRGNLYGVHPFYMTLEEDGKACGVLFWNSNAQEYTTGPGPSLVYRTIGGVLDMYIFSGPSPNDVIRQYWSLIGKPTIPAYWSLGFHLCRYGYQNTSVVRDVVDRMRQQEIPQDVQYVDIDYMNENADFTIDRTNFPDLPDLVTETRRKNGLRWVFIVDPAINVAREKYAPLASSVSTDVFITWPDVRFVPPLNDKYFHSAGTTIMLGTVWPYNNVAFPDFFKPNATSWWKKLILDFRSTLAYDGLWIDMNEPANFGTNEDPPWYSNDPNLKDIPALNCPKNKYDNPPYLTEAGYLWSSRLSAKTLCMFAKQGANGEYFHYDVHSLYGLSETEPTLMAIREATGSRSFLLSRSTFPTSGRYTGHWLGDNFSTWPDMRASIIGMLEFNMFGIPFVGADICGFNGDTSEELCARWHQLGAFYPFSRNHNGKTTDEGNYQIDQDPTRWDTVQEAARNSLALRYYYLPYLYTLFYKAHVDGEMVVQPLSFAFPTDNNTYDIDRQFMWGPAMMITPALEPNVLSVVGYFPDAIWYNVYEDYLNGLRVSPGYQRLRAPLGGPPPVHVRGGYILPRQRPGLNTNQSREQPFELLIAVNNNNNGSSVGYLYWDDGEMTDPSNCSYFFEFTYLVIDNEGSLTFNLTKAPAKEPRCSLRLPDLYTVELLGAERPAKPANVTWDGQPIELNAFNVLYNVHLKKLTIAKPKLVDWNSMNQSDVKTLRWHFLG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	52	Low	237 Å²	237	172.3 Å²	172.3	100%	1.167	80%	0.801	S	S	*	*				0	101.8	0	-74.9	172.1	165.4	0	0	107.6
2	P	45.8	Very low	52.7	Low	125 Å²	125	163.8 Å²	163.8	81%	0.812	77%	0.773	S	S	*	*				-151.8	66.2	108.6	38.2	-18	0	0	0	113.1
3	S	50.4	Low	53.6	Low	101 Å²	101	160 Å²	160	71%	0.706	76%	0.756	S	S	*	*	S	Bend	trans	-99.5	-6.8	176.2	61.2	0	0	0	0	114.4
4	E	51.6	Low	54.8	Low	176 Å²	176	152.6 Å²	152.6	82%	0.822	74%	0.735	S	S	*	*	S	Bend	trans	-89.2	-13.5	-174.4	-77.3	-170.7	147.1	0	0	115.2
5	M	49.7	Very low	56.1	Low	180 Å²	180	149 Å²	149	89%	0.887	73%	0.726	S	S	*	*	S	Bend	trans	-81.9	-12	179.3	-82.2	-174	73.6	0	0	114.9
6	L	51.7	Low	57.4	Low	128 Å²	128	146.6 Å²	146.6	67%	0.67	72%	0.716	S	S	*	*	S	Bend	trans	-89.5	-16	-177	-89.3	149.6	0	0	0	114.5
7	R	53.4	Low	58.5	Low	213 Å²	213	141.5 Å²	141.5	80%	0.804	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-16.5	-177.3	-84.7	-174.5	173.5	-171.6	-2	115.3
8	R	54	Low	59.6	Low	229 Å²	229	137.4 Å²	137.4	86%	0.864	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-7.2	-176.4	-108	-179.3	178	-174.1	-0.6	115.8
9	R	55.7	Low	60.6	Low	208 Å²	208	133.2 Å²	133.2	79%	0.785	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-15.9	179	-76.8	-172	171.6	-172.1	-2.1	115.3
10	W	53.3	Low	61.6	Low	176 Å²	176	130.3 Å²	130.3	67%	0.667	67%	0.668	S	S	*	*	H	α-helix	trans	-89.5	-26.8	-174.7	-73	84.5	0	0	0	114.3	M13 A14	W10-M13 PolarHBondContact O-N 3.14Å; W10-A14 PolarHBondContact O-N 3.37Å
11	I	63.4	Low	62.5	Low	122 Å²	122	129.1 Å²	129.1	63%	0.626	66%	0.662	S	S	*	*	H	α-helix	trans	-64.3	-44.8	-179.9	-57.2	176.4	0	0	0	112	M13 A14 V15	I11-M13 VanDerWaalsContact C-N 3.33Å; I11-M13 PolarHBondContact O-N 2.85Å; I11-A14 PolarHBondContact O-N 3.4Å; I11-V15 WeakPolarHBondContact O-CG2 3.49Å; I11-V15 PolarHBondContact O-N 3.07Å
12	P	60.7	Low	64.4	Low	71 Å²	71	123 Å²	123	46%	0.461	63%	0.633	S	S	.	*	H	α-helix	trans	-63.9	-37.9	176.9	-18.7	31	0	0	0	112.4	V15 I16	P12-V15 PolarHBondContact O-N 2.84Å; P12-I16 VanDerWaalsContact O-CG1 3.28Å; P12-I16 WeakPolarHBondContact O-CG1 3.32Å; P12-I16 PolarHBondContact O-N 2.96Å; P12-I16 VanDerWaalsContact O-N 3.11Å
13	M	64.7	Low	66	Low	114 Å²	114	122.1 Å²	122.1	56%	0.562	62%	0.621	S	S	*	*	H	α-helix	trans	-69.2	-36.3	-179.9	-77.3	-151.4	-77.9	0	0	112.8	W10 I11 A17	W10-M13 PolarHBondContact O-N 3.14Å; I11-M13 VanDerWaalsContact C-N 3.33Å; I11-M13 PolarHBondContact O-N 2.85Å; M13-A17 WeakPolarHBondContact O-CB 3.43Å; M13-A17 PolarHBondContact O-N 3.4Å
14	A	69.7	Low	67.4	Low	56 Å²	56	121.4 Å²	121.4	46%	0.463	61%	0.609	S	S	.	*	H	α-helix	trans	-65.4	-42.4	176.2	0	0	0	0	0	111.9	W10 I11 A17 S18	W10-A14 PolarHBondContact O-N 3.37Å; I11-A14 PolarHBondContact O-N 3.4Å; A14-A17 PolarHBondContact O-N 2.69Å; A14-S18 PolarHBondContact O-N 2.79Å; A14-S18 PolarHBondContact O-OG 2.79Å; A14-S18 VanDerWaalsContact O-OG 3.11Å
15	V	75.1	Confident	68.6	Low	99 Å²	99	117.9 Å²	117.9	60%	0.6	60%	0.595	S	S	*	*	H	α-helix	trans	-66.1	-40.8	178.7	177.3	0	0	0	0	111.5	I11 P12 S18 A19	I11-V15 WeakPolarHBondContact O-CG2 3.49Å; I11-V15 PolarHBondContact O-N 3.07Å; P12-V15 PolarHBondContact O-N 2.84Å; V15-S18 PolarHBondContact O-N 3.29Å; V15-A19 PolarHBondContact O-N 2.83Å
16	I	77.3	Confident	69.9	Low	110 Å²	110	113.1 Å²	113.1	56%	0.564	58%	0.576	S	S	*	*	H	α-helix	trans	-65.1	-43.2	175.7	-66.2	166.7	0	0	0	110.6	P12 S18 A19 V20	P12-I16 VanDerWaalsContact O-CG1 3.28Å; P12-I16 WeakPolarHBondContact O-CG1 3.32Å; P12-I16 PolarHBondContact O-N 2.96Å; P12-I16 VanDerWaalsContact O-N 3.11Å; I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 3.44Å; I16-A19 PolarHBondContact O-N 2.8Å; I16-V20 HydrophobicContact CG2-CG2 4.3Å; I16-V20 VanDerWaalsContact O-CG2 3.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.22Å
17	A	76.1	Confident	70.9	Confident	60 Å²	60	111.2 Å²	111.2	50%	0.496	57%	0.565	S	S	.	*	H	α-helix	trans	-61.8	-40.8	177.8	0	0	0	0	0	112.1	M13 A14 L21	M13-A17 WeakPolarHBondContact O-CB 3.43Å; M13-A17 PolarHBondContact O-N 3.4Å; A14-A17 PolarHBondContact O-N 2.69Å; A17-L21 WeakPolarHBondContact O-CB 3.39Å; A17-L21 PolarHBondContact O-N 3.19Å
18	S	77	Confident	71.5	Confident	69 Å²	69	104.9 Å²	104.9	48%	0.483	55%	0.55	S	S	.	.	H	α-helix	trans	-66.1	-41.7	175.5	-60.1	0	0	0	0	112.6	A14 V15 I16 L21 I22	A14-S18 PolarHBondContact O-N 2.79Å; A14-S18 PolarHBondContact O-OG 2.79Å; A14-S18 VanDerWaalsContact O-OG 3.11Å; V15-S18 PolarHBondContact O-N 3.29Å; I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 3.44Å; S18-L21 PolarHBondContact O-N 2.88Å; S18-I22 VanDerWaalsContact O-CG1 3.32Å; S18-I22 WeakPolarHBondContact O-CG1 3.41Å; S18-I22 PolarHBondContact O-N 2.83Å
19	A	78.5	Confident	71.8	Confident	57 Å²	57	97.6 Å²	97.6	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-65.3	-40.8	177.5	0	0	0	0	0	112.1	V15 I16 I22 L23	V15-A19 PolarHBondContact O-N 2.83Å; I16-A19 PolarHBondContact O-N 2.8Å; A19-I22 PolarHBondContact O-N 2.87Å; A19-L23 WeakPolarHBondContact O-CB 3.35Å; A19-L23 PolarHBondContact O-N 3.43Å
20	V	80.5	Confident	72.3	Confident	74 Å²	74	93.3 Å²	93.3	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-39.7	175.2	173.2	0	0	0	0	111	I16 L23 I24	I16-V20 HydrophobicContact CG2-CG2 4.3Å; I16-V20 VanDerWaalsContact O-CG2 3.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.22Å; V20-L23 PolarHBondContact O-N 3.23Å; V20-I24 HydrophobicContact CG1-CD1 3.74Å; V20-I24 HydrophobicContact CG1-CG1 4.31Å; V20-I24 WeakPolarHBondContact O-CB 3.47Å; V20-I24 VanDerWaalsContact O-CG1 3.24Å; V20-I24 WeakPolarHBondContact O-CG1 3.35Å; V20-I24 PolarHBondContact O-N 2.87Å
21	L	81.4	Confident	72	Confident	106 Å²	106	88.2 Å²	88.2	56%	0.555	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-42.5	176.7	-164.9	78.3	0	0	0	111.6	A17 S18 I24 I25	A17-L21 WeakPolarHBondContact O-CB 3.39Å; A17-L21 PolarHBondContact O-N 3.19Å; S18-L21 PolarHBondContact O-N 2.88Å; L21-I24 PolarHBondContact O-N 3.14Å; L21-I25 HydrophobicContact CG-CD1 4.2Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.39Å; L21-I25 PolarHBondContact O-N 3Å
22	I	81.4	Confident	70.9	Confident	108 Å²	108	86.7 Å²	86.7	55%	0.554	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-43.2	175.2	-67.1	166.6	0	0	0	110.3	S18 A19 I24 I25 V26	S18-I22 VanDerWaalsContact O-CG1 3.32Å; S18-I22 WeakPolarHBondContact O-CG1 3.41Å; S18-I22 PolarHBondContact O-N 2.83Å; A19-I22 PolarHBondContact O-N 2.87Å; I22-I24 VanDerWaalsContact C-N 3.33Å; I22-I24 PolarHBondContact O-N 3.17Å; I22-I25 PolarHBondContact O-N 2.88Å; I22-V26 HydrophobicContact CG2-CG2 4.42Å; I22-V26 WeakPolarHBondContact O-CG2 3.37Å; I22-V26 PolarHBondContact O-N 2.81Å
23	L	80.3	Confident	69.9	Low	107 Å²	107	88.3 Å²	88.3	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-63	-40.1	176.6	-160.2	86.2	0	0	0	111.4	A19 V20 V26 I27	A19-L23 WeakPolarHBondContact O-CB 3.35Å; A19-L23 PolarHBondContact O-N 3.43Å; V20-L23 PolarHBondContact O-N 3.23Å; L23-V26 PolarHBondContact O-N 2.92Å; L23-I27 HydrophobicContact CD2-CD1 3.94Å; L23-I27 HydrophobicContact CG-CD1 3.92Å; L23-I27 HydrophobicContact CG-CG1 4.48Å; L23-I27 VanDerWaalsContact O-CB 3.29Å; L23-I27 WeakPolarHBondContact O-CB 3.36Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 2.87Å
24	I	79.2	Confident	68.6	Low	87 Å²	87	89.3 Å²	89.3	45%	0.446	55%	0.546	S	S	.	.	H	α-helix	trans	-66.3	-39.7	174.4	-69.8	167.7	0	0	0	110.5	V20 L21 I22 I27 V28	V20-I24 HydrophobicContact CG1-CD1 3.74Å; V20-I24 HydrophobicContact CG1-CG1 4.31Å; V20-I24 WeakPolarHBondContact O-CB 3.47Å; V20-I24 VanDerWaalsContact O-CG1 3.24Å; V20-I24 WeakPolarHBondContact O-CG1 3.35Å; V20-I24 PolarHBondContact O-N 2.87Å; L21-I24 PolarHBondContact O-N 3.14Å; I22-I24 VanDerWaalsContact C-N 3.33Å; I22-I24 PolarHBondContact O-N 3.17Å; I24-I27 PolarHBondContact O-N 3.26Å; I24-V28 HydrophobicContact CG2-CG2 3.97Å; I24-V28 WeakPolarHBondContact O-CB 3.37Å; I24-V28 WeakPolarHBondContact O-CG2 3.46Å; I24-V28 PolarHBondContact O-N 2.96Å
25	I	78.1	Confident	67	Low	102 Å²	102	90.3 Å²	90.3	52%	0.523	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-40.3	176.4	-69.6	164.5	0	0	0	110.6	L21 I22 A29	L21-I25 HydrophobicContact CG-CD1 4.2Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.39Å; L21-I25 PolarHBondContact O-N 3Å; I22-I25 PolarHBondContact O-N 2.88Å; I25-A29 WeakPolarHBondContact O-CB 3.18Å; I25-A29 PolarHBondContact O-N 3.02Å
26	V	76.4	Confident	65.2	Low	80 Å²	80	95 Å²	95	49%	0.485	56%	0.564	S	S	.	*	H	α-helix	trans	-68.4	-44.9	175.6	174	0	0	0	0	110.6	I22 L23 A29 V30	I22-V26 HydrophobicContact CG2-CG2 4.42Å; I22-V26 WeakPolarHBondContact O-CG2 3.37Å; I22-V26 PolarHBondContact O-N 2.81Å; L23-V26 PolarHBondContact O-N 2.92Å; V26-A29 PolarHBondContact O-N 3.17Å; V26-V30 HydrophobicContact CG1-CG2 4.18Å; V26-V30 VanDerWaalsContact O-CB 3.27Å; V26-V30 WeakPolarHBondContact O-CB 3.43Å; V26-V30 WeakPolarHBondContact O-CG2 3.27Å; V26-V30 PolarHBondContact O-N 2.97Å
27	I	72.2	Confident	63.3	Low	87 Å²	87	95.3 Å²	95.3	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-45.4	175.6	-70.2	167.4	0	0	0	109.3	L23 I24 A29 V30 S31	L23-I27 HydrophobicContact CD2-CD1 3.94Å; L23-I27 HydrophobicContact CG-CD1 3.92Å; L23-I27 HydrophobicContact CG-CG1 4.48Å; L23-I27 VanDerWaalsContact O-CB 3.29Å; L23-I27 WeakPolarHBondContact O-CB 3.36Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 2.87Å; I24-I27 PolarHBondContact O-N 3.26Å; I27-A29 PolarHBondContact O-N 3.16Å; I27-V30 CarbonylContact O-C 3.38Å; I27-V30 PolarHBondContact O-N 3.02Å; I27-S31 WeakPolarHBondContact CG2-OG 3.22Å; I27-S31 VanDerWaalsContact O-CA 3.26Å; I27-S31 WeakPolarHBondContact O-CA 3.04Å; I27-S31 WeakPolarHBondContact O-CB 3.48Å; I27-S31 PolarHBondContact O-N 3.07Å; I27-S31 PolarHBondContact O-OG 2.91Å
28	V	66.2	Low	61.6	Low	81 Å²	81	101.2 Å²	101.2	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-66	-39.3	177.2	172.6	0	0	0	0	110.4	I24 V30 S31 V32	I24-V28 HydrophobicContact CG2-CG2 3.97Å; I24-V28 WeakPolarHBondContact O-CB 3.37Å; I24-V28 WeakPolarHBondContact O-CG2 3.46Å; I24-V28 PolarHBondContact O-N 2.96Å; V28-V30 VanDerWaalsContact C-N 3.3Å; V28-V30 PolarHBondContact O-N 3.18Å; V28-S31 CarbonylContact O-C 3.58Å; V28-S31 PolarHBondContact O-N 3.15Å; V28-V32 HydrophobicContact CG1-CG2 4.19Å; V28-V32 WeakPolarHBondContact O-CG2 3.3Å; V28-V32 PolarHBondContact O-N 3.11Å
29	A	61	Low	60.3	Low	76 Å²	76	104 Å²	104	63%	0.628	59%	0.59	S	S	*	*	H	α-helix	trans	-66	-31.3	174.4	0	0	0	0	0	113	I25 V26 I27	I25-A29 WeakPolarHBondContact O-CB 3.18Å; I25-A29 PolarHBondContact O-N 3.02Å; V26-A29 PolarHBondContact O-N 3.17Å; I27-A29 PolarHBondContact O-N 3.16Å
30	V	65.1	Low	59	Low	117 Å²	117	109.7 Å²	109.7	71%	0.709	61%	0.607	S	S	*	*	H	α-helix	trans	-88.9	-21.8	177.6	178	0	0	0	0	112.1	V26 I27 V28	V26-V30 HydrophobicContact CG1-CG2 4.18Å; V26-V30 VanDerWaalsContact O-CB 3.27Å; V26-V30 WeakPolarHBondContact O-CB 3.43Å; V26-V30 WeakPolarHBondContact O-CG2 3.27Å; V26-V30 PolarHBondContact O-N 2.97Å; I27-V30 CarbonylContact O-C 3.38Å; I27-V30 PolarHBondContact O-N 3.02Å; V28-V30 VanDerWaalsContact C-N 3.3Å; V28-V30 PolarHBondContact O-N 3.18Å
31	S	47.3	Very low	58	Low	70 Å²	70	109 Å²	109	49%	0.49	60%	0.603	S	S	.	*	H	α-helix	trans	-118.3	9.2	-172.9	-37.6	0	0	0	0	112.8	I27 V28 P33	I27-S31 WeakPolarHBondContact CG2-OG 3.22Å; I27-S31 VanDerWaalsContact O-CA 3.26Å; I27-S31 WeakPolarHBondContact O-CA 3.04Å; I27-S31 WeakPolarHBondContact O-CB 3.48Å; I27-S31 PolarHBondContact O-N 3.07Å; I27-S31 PolarHBondContact O-OG 2.91Å; V28-S31 CarbonylContact O-C 3.58Å; V28-S31 PolarHBondContact O-N 3.15Å; S31-P33 VanDerWaalsContact C-N 3.32Å; S31-P33 WeakPolarHBondContact O-CD 3.43Å
32	V	40.5	Very low	57.5	Low	89 Å²	89	108.5 Å²	108.5	54%	0.539	60%	0.598	S	S	.	*	S	Bend	trans	-58.3	109.5	155.1	178.9	0	0	0	0	102.5	V28 V34	V28-V32 HydrophobicContact CG1-CG2 4.19Å; V28-V32 WeakPolarHBondContact O-CG2 3.3Å; V28-V32 PolarHBondContact O-N 3.11Å; V32-V34 PolarHBondContact O-N 2.78Å
33	P	39.8	Very low	57.4	Low	106 Å²	106	108.9 Å²	108.9	69%	0.688	61%	0.607	S	S	*	*			trans	-58.5	116.9	166.2	-3.9	20.8	0	0	0	102.1	S31 S35	S31-P33 VanDerWaalsContact C-N 3.32Å; S31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-S35 PolarHBondContact O-N 2.82Å
34	V	37.4	Very low	57.8	Low	135 Å²	135	105.4 Å²	105.4	82%	0.818	59%	0.589	S	S	*	*			trans	-48.8	103.6	162	174.6	0	0	0	0	102.8	V32 Q36	V32-V34 PolarHBondContact O-N 2.78Å; V34-Q36 PolarHBondContact O-N 2.82Å
35	S	36.1	Very low	58.4	Low	77 Å²	77	105.4 Å²	105.4	54%	0.538	59%	0.589	S	S	.	*			trans	-51.5	122.8	170.8	53.6	0	0	0	0	102.2	P33 N37	P33-S35 PolarHBondContact O-N 2.82Å; S35-N37 PolarHBondContact O-N 3.08Å
36	Q	37.7	Very low	59.1	Low	197 Å²	197	101.3 Å²	101.3	92%	0.921	57%	0.568	S	S	*	*			trans	-59.6	81.4	163.1	-74.5	-178	-25.7	0	0	104.6	V34 Q38	V34-Q36 PolarHBondContact O-N 2.82Å; Q36-Q38 PolarHBondContact O-N 2.99Å
37	N	37.2	Very low	59.9	Low	116 Å²	116	99.6 Å²	99.6	62%	0.62	56%	0.555	S	S	*	*			trans	-47.2	132.9	163.2	-98.3	-15.2	0	0	0	103.5	S35 E39	S35-N37 PolarHBondContact O-N 3.08Å; N37-E39 PolarHBondContact O-N 3.15Å
38	Q	40.7	Very low	60.9	Low	185 Å²	185	98.2 Å²	98.2	86%	0.864	55%	0.548	S	S	*	.	S	Bend	trans	-31.5	114.7	164.5	-67.9	175.8	-72.6	0	0	107.4	Q36 Q40	Q36-Q38 PolarHBondContact O-N 2.99Å; Q38-Q40 PolarHBondContact O-N 3Å
39	E	48.5	Very low	62.2	Low	128 Å²	128	94.8 Å²	94.8	60%	0.598	53%	0.526	S	S	*	.			trans	-36.5	106.3	-173.6	-74.8	168.2	160.5	0	0	107.9	N37 V41 N110	N37-E39 PolarHBondContact O-N 3.15Å; E39-V41 PolarHBondContact O-N 3.32Å; E39-N110 PolarHBondContact OE1-ND2 3.39Å
40	Q	51.4	Low	63.9	Low	175 Å²	175	91.5 Å²	91.5	82%	0.818	50%	0.498	S	S	*	.			trans	-63.2	101	169.1	-88.7	-174.6	-29.1	0	0	103.6	Q38 E42	Q38-Q40 PolarHBondContact O-N 3Å; Q40-E42 PolarHBondContact O-N 3.37Å
41	V	60.7	Low	65.3	Low	61 Å²	61	87.8 Å²	87.8	37%	0.37	47%	0.474	S	S	.	.			trans	-53.7	113.7	171.8	178.3	0	0	0	0	105	E39 P43 Y83	E39-V41 PolarHBondContact O-N 3.32Å; V41-P43 VanDerWaalsContact O-CD 3.23Å; V41-P43 WeakPolarHBondContact O-CD 3.33Å; V41-P43 VanDerWaalsContact O-N 3.11Å; V41-Y83 VanDerWaalsContact CG1-OH 3.28Å; V41-Y83 WeakPolarHBondContact CG1-OH 3.44Å
42	E	69.5	Low	67.6	Low	95 Å²	95	84.5 Å²	84.5	44%	0.444	45%	0.451	S	S	.	.			trans	-62.2	115.6	177.2	-174.3	177.8	-176.5	0	0	107.1	Q40 I44 T86	Q40-E42 PolarHBondContact O-N 3.37Å; E42-I44 PolarHBondContact O-N 3.4Å; E42-T86 VanDerWaalsContact CD-CG2 3.43Å; E42-T86 WeakPolarHBondContact OE1-CG2 3.48Å; E42-T86 WeakPolarHBondContact OE2-CB 3.37Å; E42-T86 WeakPolarHBondContact OE2-CG2 3.47Å; E42-T86 PolarHBondContact OE2-OG1 2.9Å
43	P	79.6	Confident	70.1	Confident	116 Å²	116	81 Å²	81	75%	0.753	43%	0.429	S	S	*	.			trans	-70.1	109.3	-176.4	27.6	-31.5	0	0	0	108.6	V41	V41-P43 VanDerWaalsContact O-CD 3.23Å; V41-P43 WeakPolarHBondContact O-CD 3.33Å; V41-P43 VanDerWaalsContact O-N 3.11Å
44	I	89.6	Confident	72.6	Confident	33 Å²	33	76.8 Å²	76.8	17%	0.169	40%	0.402	C	S	.	.			trans	-90.7	127.3	168.6	-64.1	175.3	0	0	0	107.6	E42 E46 L48 R49 Y83 Y84 T86	E42-I44 PolarHBondContact O-N 3.4Å; I44-E46 PolarHBondContact O-N 3.35Å; I44-L48 HydrophobicContact CG2-CB 4.22Å; I44-R49 HydrophobicContact CB-CG 4.43Å; I44-R49 HydrophobicContact CG2-CG 3.96Å; I44-R49 PolarHBondContact O-NE 3.41Å; I44-Y83 HydrophobicContact CB-CD2 4.2Å; I44-Y83 HydrophobicContact CB-CE2 3.93Å; I44-Y83 HydrophobicContact CD1-CD2 3.87Å; I44-Y83 HydrophobicContact CD1-CE2 3.96Å; I44-Y83 HydrophobicContact CG1-CD2 4.4Å; I44-Y83 HydrophobicContact CG1-CE2 4.09Å; I44-Y84 VanDerWaalsContact CD1-O 3.31Å; I44-Y84 WeakPolarHBondContact CD1-O 3.22Å; I44-T86 HydrophobicContact CD1-CG2 4.07Å; I44-T86 HydrophobicContact CG1-CG2 4.42Å
45	D	91.4	Very high	75	Confident	87 Å²	87	71 Å²	71	47%	0.465	37%	0.367	S	S	.	.			trans	-47.4	133.6	173.5	-171.3	-45.9	0	0	0	110.1	H47 L48 R49	D45-H47 PolarHBondContact O-N 3.27Å; D45-H47 VanDerWaalsContact O-N 3.11Å; D45-H47 WeakPolarHBondContact OD1-CB 3.41Å; D45-H47 IonicContact OD1-CD2 2.89Å; D45-H47 PolarHBondContact OD1-CD2 3.03Å; D45-H47 IonicContact OD1-CG 2.8Å; D45-H47 PolarHBondContact OD1-N 2.76Å; D45-L48 HydrophobicContact CB-CB 4.43Å; D45-L48 HydrophobicContact CB-CD1 4.01Å; D45-L48 HydrophobicContact CB-CG 4.06Å; D45-L48 PolarHBondContact O-N 3.01Å; D45-R49 WeakPolarHBondContact O-CG 3.44Å; D45-R49 PolarHBondContact O-N 2.78Å
46	E	93.4	Very high	77.2	Confident	17 Å²	17	70.1 Å²	70.1	8%	0.079	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-52.7	-33.8	-178.3	-69.7	-176.7	-161.1	0	0	112.4	I44 L48 P73 T74 E75 A79 F233	I44-E46 PolarHBondContact O-N 3.35Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3Å; E46-P73 WeakPolarHBondContact OE1-CA 3.42Å; E46-P73 WeakPolarHBondContact OE2-CA 3.46Å; E46-P73 WeakPolarHBondContact OE2-CB 3.47Å; E46-T74 VanDerWaalsContact CD-N 3.28Å; E46-T74 PolarHBondContact OE1-N 2.8Å; E46-T74 PolarHBondContact OE1-OG1 3.02Å; E46-T74 PolarHBondContact OE2-N 3.02Å; E46-E75 WeakPolarHBondContact OE2-CB 3.17Å; E46-E75 PolarHBondContact OE2-N 2.79Å; E46-A79 HydrophobicContact CB-CB 3.98Å; E46-A79 WeakPolarHBondContact O-CB 3.26Å; E46-F233 WeakPolarHBondContact O-CE2 3.22Å; E46-F233 WeakPolarHBondContact O-CZ 3.2Å
47	H	92.6	Very high	79.4	Confident	44 Å²	44	67.4 Å²	67.4	20%	0.204	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-70.7	-22.7	178.6	-65.9	-77	0	0	0	114.7	D45 E75 Y77 P288 G289	D45-H47 PolarHBondContact O-N 3.27Å; D45-H47 VanDerWaalsContact O-N 3.11Å; D45-H47 WeakPolarHBondContact OD1-CB 3.41Å; D45-H47 IonicContact OD1-CD2 2.89Å; D45-H47 PolarHBondContact OD1-CD2 3.03Å; D45-H47 IonicContact OD1-CG 2.8Å; D45-H47 PolarHBondContact OD1-N 2.76Å; H47-E75 IonicContact NE2-OE2 3.01Å; H47-Y77 AromaticContact CE1-CD2 3.53Å; H47-Y77 AromaticContact CE1-CE1 3.64Å; H47-Y77 AromaticContact CE1-CE2 3.07Å; H47-Y77 WeakPolarHBondContact CE1-CE2 3.45Å; H47-Y77 AromaticContact CE1-CG 3.98Å; H47-Y77 AromaticContact CE1-CZ 3.16Å; H47-Y77 AromaticContact ND1-CD2 3.93Å; H47-Y77 AromaticContact ND1-CE2 3.92Å; H47-Y77 AromaticContact NE2-CE2 3.31Å; H47-Y77 VanDerWaalsContact NE2-CE2 3.31Å; H47-Y77 WeakPolarHBondContact NE2-CE2 3.12Å; H47-Y77 AromaticContact NE2-CZ 3.61Å; H47-P288 HydrophobicContact CB-CG 4.16Å; H47-P288 WeakPolarHBondContact ND1-CB 3.4Å; H47-P288 VanDerWaalsContact ND1-CG 3.3Å; H47-P288 WeakPolarHBondContact ND1-CG 3.24Å; H47-G289 WeakPolarHBondContact O-CA 3.39Å; H47-G289 PolarHBondContact O-N 3.22Å
48	L	92.4	Very high	81.8	Confident	57 Å²	57	66.3 Å²	66.3	30%	0.298	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-107.5	4.7	-171.7	-52	178.6	0	0	0	112.7	I44 D45 E46 Y209	I44-L48 HydrophobicContact CG2-CB 4.22Å; D45-L48 HydrophobicContact CB-CB 4.43Å; D45-L48 HydrophobicContact CB-CD1 4.01Å; D45-L48 HydrophobicContact CB-CG 4.06Å; D45-L48 PolarHBondContact O-N 3.01Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3Å; L48-Y209 HydrophobicContact CD2-CE1 3.74Å
49	R	94.8	Very high	84.3	Confident	10 Å²	10	61 Å²	61	4%	0.038	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-71.6	131.6	-178	-66	-179.3	-176.5	177.3	5.3	111.1	I44 D45 T71 P80 Y83 F233	I44-R49 HydrophobicContact CB-CG 4.43Å; I44-R49 HydrophobicContact CG2-CG 3.96Å; I44-R49 PolarHBondContact O-NE 3.41Å; D45-R49 WeakPolarHBondContact O-CG 3.44Å; D45-R49 PolarHBondContact O-N 2.78Å; R49-T71 PolarHBondContact NH1-O 2.94Å; R49-P80 HydrophobicContact CB-CG 3.71Å; R49-P80 WeakPolarHBondContact CD-O 3.39Å; R49-P80 PolarHBondContact NH1-O 2.81Å; R49-P80 VanDerWaalsContact NH1-O 3.13Å; R49-Y83 HydrophobicContact CB-CG 4.35Å; R49-Y83 HydrophobicContact CG-CD1 4.22Å; R49-Y83 HydrophobicContact CG-CD2 4.43Å; R49-Y83 HydrophobicContact CG-CG 4Å; R49-F233 WeakPolarHBondContact O-CE1 3.41Å
50	V	95.6	Very high	86.5	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-99.3	121.9	166.6	-176.9	0	0	0	0	108.3	C52 Y83 Y84 I194 A207 V293	V50-C52 PolarHBondContact O-N 2.97Å; V50-Y83 VanDerWaalsContact O-CA 3.28Å; V50-Y83 WeakPolarHBondContact O-CA 3.33Å; V50-Y83 WeakPolarHBondContact O-CB 3.38Å; V50-Y84 HydrophobicContact CB-CD2 4.03Å; V50-Y84 HydrophobicContact CG1-CD2 3.79Å; V50-Y84 HydrophobicContact CG1-CE2 4.1Å; V50-Y84 WeakPolarHBondContact O-CD2 3.47Å; V50-Y84 PolarHBondContact O-N 3.09Å; V50-Y84 VanDerWaalsContact O-N 3.12Å; V50-I194 HydrophobicContact CG2-CD1 4.08Å; V50-I194 HydrophobicContact CG2-CG1 3.95Å; V50-A207 HydrophobicContact CG1-CB 4.44Å; V50-A207 HydrophobicContact CG2-CB 4.01Å; V50-V293 HydrophobicContact CG1-CG1 4.1Å; V50-V293 HydrophobicContact CG1-CG2 4Å; V50-V293 HydrophobicContact CG2-CG2 4.48Å
51	D	95.2	Very high	88.6	Confident	38 Å²	38	59.8 Å²	59.8	20%	0.203	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-63.9	122	-176.7	-171	-4.5	0	0	0	111.9	H53 P54 P80 C82 Y84	D51-H53 WeakPolarHBondContact OD1-CA 3.31Å; D51-H53 PolarHBondContact OD1-N 3.01Å; D51-P54 VanDerWaalsContact OD2-CA 3.28Å; D51-P54 WeakPolarHBondContact OD2-CA 3.4Å; D51-P80 HydrophobicContact CB-CB 3.71Å; D51-P80 HydrophobicContact CB-CG 3.91Å; D51-C82 VanDerWaalsContact OD1-O 3.13Å; D51-Y84 WeakPolarHBondContact O-CE2 3.42Å
52	C	95.3	Very high	90.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	30%	0.297	C	S	.	.	S	Bend	trans	-97.6	-7.5	-179.1	-167.4	0	0	0	0	113	V50 R66 C68 C82 Y84	V50-C52 PolarHBondContact O-N 2.97Å; C52-R66 WeakPolarHBondContact O-CD 3.34Å; C52-R66 PolarHBondContact O-NH1 2.97Å; C52-C68 HydrophobicContact CB-CB 3.6Å; C52-C68 WeakPolarHBondContact CB-SG 3.48Å; C52-C68 WeakPolarHBondContact SG-CB 3.37Å; C52-C68 CovalentContact SG-SG 2Å; C52-C68 PolarHBondContact SG-SG 3.29Å; C52-C82 PolarHBondContact N-O 3.17Å; C52-Y84 VanDerWaalsContact CA-CE2 3.43Å; C52-Y84 HydrophobicContact CB-CD1 3.92Å; C52-Y84 HydrophobicContact CB-CD2 3.79Å; C52-Y84 HydrophobicContact CB-CE1 3.92Å; C52-Y84 HydrophobicContact CB-CE2 3.77Å; C52-Y84 HydrophobicContact CB-CG 3.85Å; C52-Y84 WeakPolarHBondContact SG-CD1 3.36Å; C52-Y84 WeakPolarHBondContact SG-CE1 3.47Å
53	H	93.8	Very high	91.3	Very high	16 Å²	16	53.6 Å²	53.6	7%	0.074	28%	0.276	C	S	.	.			trans	-138.2	67.7	173.2	-165.9	-59.1	0	0	0	111.3	D51 D55 E58 R66 C82	D51-H53 WeakPolarHBondContact OD1-CA 3.31Å; D51-H53 PolarHBondContact OD1-N 3.01Å; H53-D55 IonicContact CE1-OD2 2.71Å; H53-D55 PolarHBondContact ND1-O 2.8Å; H53-D55 IonicContact ND1-OD2 3.74Å; H53-D55 PolarHBondContact O-N 2.86Å; H53-D55 VanDerWaalsContact O-N 3.09Å; H53-E58 HydrophobicContact CB-CB 4.39Å; H53-R66 PolarHBondContact CD2-NE 2.75Å; H53-C82 HydrophobicContact CB-CB 3.86Å
54	P	92.7	Very high	92.1	Very high	17 Å²	17	54.5 Å²	54.5	11%	0.11	27%	0.265	C	S	.	.			trans	-73.5	3.6	-177.8	32.7	-37.8	0	0	0	114.3	D51 F203 Y538	D51-P54 VanDerWaalsContact OD2-CA 3.28Å; D51-P54 WeakPolarHBondContact OD2-CA 3.4Å; P54-F203 HydrophobicContact CG-CE2 4.14Å; P54-F203 HydrophobicContact CG-CZ 4.18Å; P54-Y538 HydrophobicContact CB-CE2 4.11Å; P54-Y538 HydrophobicContact CG-CD2 4.44Å; P54-Y538 HydrophobicContact CG-CE2 3.67Å
55	D	87.4	Confident	92.3	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.08	28%	0.275	C	S	.	.	S	Bend	trans	-74.3	148	169.8	-46.6	-99	0	0	0	110.8	H53 R66 Y538 Y544	H53-D55 IonicContact CE1-OD2 2.71Å; H53-D55 PolarHBondContact ND1-O 2.8Å; H53-D55 IonicContact ND1-OD2 3.74Å; H53-D55 PolarHBondContact O-N 2.86Å; H53-D55 VanDerWaalsContact O-N 3.09Å; D55-R66 IonicContact OD2-CZ 3.81Å; D55-R66 IonicContact OD2-NH1 3.22Å; D55-R66 PolarHBondContact OD2-NH1 3Å; D55-R66 IonicContact OD2-NH2 2.68Å; D55-R66 PolarHBondContact OD2-NH2 3Å; D55-Y538 VanDerWaalsContact OD1-CD2 3.29Å; D55-Y538 WeakPolarHBondContact OD1-CD2 3.37Å; D55-Y544 PolarHBondContact OD1-OH 2.82Å; D55-Y544 VanDerWaalsContact OD1-OH 3.09Å
56	P	82.4	Confident	92.4	Very high	57 Å²	57	55.1 Å²	55.1	37%	0.37	26%	0.258	S	S	.	.	S	Bend	trans	-57.3	150.5	172.5	-23.8	33.4	0	0	0	113.2	Y544	P56-Y544 HydrophobicContact CG-CD1 3.55Å; P56-Y544 HydrophobicContact CG-CD2 3.84Å; P56-Y544 HydrophobicContact CG-CE1 3.79Å; P56-Y544 HydrophobicContact CG-CE2 4.07Å; P56-Y544 HydrophobicContact CG-CG 3.59Å
57	N	83.8	Confident	92.3	Very high	141 Å²	141	54.7 Å²	54.7	75%	0.754	26%	0.259	S	S	*	.	S	Bend	trans	67.1	43.3	178.2	-45.4	-77.3	0	0	0	113.7	N59	N57-N59 PolarHBondContact O-ND2 3.3Å
58	E	86.1	Confident	92.5	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	25%	0.252	S	S	.	.			trans	-57.2	141.8	173	77.4	-71.3	179.5	0	0	111.5	H53 W70	H53-E58 HydrophobicContact CB-CB 4.39Å; E58-W70 HydrophobicContact CG-CH2 4.23Å; E58-W70 HydrophobicContact CG-CZ3 4.06Å
59	N	94.3	Very high	92.6	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	24%	0.244	S	C	.	.			trans	-147.2	155.9	174.9	62.2	81.7	0	0	0	110.3	N57 R61 A62 C63 W70	N57-N59 PolarHBondContact O-ND2 3.3Å; N59-R61 PolarHBondContact O-N 3.17Å; N59-R61 VanDerWaalsContact O-N 3.13Å; N59-R61 PolarHBondContact OD1-N 2.86Å; N59-A62 PolarHBondContact O-N 3.07Å; N59-A62 VanDerWaalsContact O-N 3.16Å; N59-A62 PolarHBondContact OD1-N 2.71Å; N59-C63 WeakPolarHBondContact O-CB 3.3Å; N59-C63 PolarHBondContact O-N 2.91Å; N59-W70 VanDerWaalsContact C-CZ3 3.46Å
60	E	95.1	Very high	92.5	Very high	81 Å²	81	53 Å²	53	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-53.7	-38.6	-176.2	-178.9	168.9	-163.2	0	0	113.3	C63 R64 W70	E60-C63 WeakPolarHBondContact O-CB 3.45Å; E60-R64 HydrophobicContact CG-CG 4.43Å; E60-R64 WeakPolarHBondContact O-CG 3.47Å; E60-R64 PolarHBondContact O-N 2.75Å; E60-R64 IonicContact OE1-CZ 3.99Å; E60-R64 IonicContact OE1-NE 3.89Å; E60-R64 PolarHBondContact OE1-NE 3.49Å; E60-R64 IonicContact OE1-NH2 3.13Å; E60-R64 PolarHBondContact OE1-NH2 2.87Å; E60-W70 HydrophobicContact CB-CB 4.49Å; E60-W70 HydrophobicContact CB-CD2 3.68Å; E60-W70 HydrophobicContact CB-CE3 4.26Å; E60-W70 HydrophobicContact CB-CG 3.78Å; E60-W70 HydrophobicContact CB-CZ2 4.28Å; E60-W70 HydrophobicContact CG-CB 3.93Å; E60-W70 HydrophobicContact CG-CD2 4.1Å; E60-W70 HydrophobicContact CG-CG 3.62Å
61	R	94.7	Very high	92.5	Very high	197 Å²	197	55.2 Å²	55.2	74%	0.743	26%	0.264	S	S	*	.	H	α-helix	trans	-68.7	-46.1	-178.5	-177.4	-180	179.1	-178.8	-1	111.7	N59 C63 R65	N59-R61 PolarHBondContact O-N 3.17Å; N59-R61 VanDerWaalsContact O-N 3.13Å; N59-R61 PolarHBondContact OD1-N 2.86Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-R65 WeakPolarHBondContact O-CG 3.5Å; R61-R65 PolarHBondContact O-N 2.76Å
62	A	93	Very high	92.3	Very high	25 Å²	25	57.8 Å²	57.8	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-43.6	176.9	0	0	0	0	0	110.7	N59 R65 R66	N59-A62 PolarHBondContact O-N 3.07Å; N59-A62 VanDerWaalsContact O-N 3.16Å; N59-A62 PolarHBondContact OD1-N 2.71Å; A62-R65 PolarHBondContact O-N 2.88Å; A62-R66 PolarHBondContact O-N 2.67Å
63	C	95	Very high	92.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-54.3	-55.3	175.5	-174.7	0	0	0	0	112.8	N59 E60 R61 R65 R66 C68 S69 W70 C82	N59-C63 WeakPolarHBondContact O-CB 3.3Å; N59-C63 PolarHBondContact O-N 2.91Å; E60-C63 WeakPolarHBondContact O-CB 3.45Å; R61-C63 VanDerWaalsContact C-N 3.34Å; C63-R65 VanDerWaalsContact C-N 3.27Å; C63-R65 PolarHBondContact O-N 2.82Å; C63-R66 WeakPolarHBondContact O-CB 3.34Å; C63-R66 PolarHBondContact O-N 2.79Å; C63-R66 VanDerWaalsContact O-N 3.09Å; C63-C68 VanDerWaalsContact O-CB 3.31Å; C63-C68 WeakPolarHBondContact O-CB 3.41Å; C63-C68 PolarHBondContact O-N 3.08Å; C63-C68 PolarHBondContact O-SG 2.83Å; C63-C68 VanDerWaalsContact O-SG 3.4Å; C63-C68 WeakPolarHBondContact SG-CB 3.27Å; C63-S69 PolarHBondContact SG-O 2.75Å; C63-W70 HydrophobicContact CB-CE3 3.75Å; C63-W70 HydrophobicContact CB-CZ3 4.38Å; C63-C82 WeakPolarHBondContact CA-SG 3.47Å; C63-C82 HydrophobicContact CB-CB 3.72Å; C63-C82 WeakPolarHBondContact CB-SG 3.24Å; C63-C82 WeakPolarHBondContact SG-CA 3.32Å; C63-C82 WeakPolarHBondContact SG-CB 3.34Å; C63-C82 CovalentContact SG-SG 2.03Å; C63-C82 PolarHBondContact SG-SG 2.72Å
64	R	94.5	Very high	92	Very high	135 Å²	135	64.3 Å²	64.3	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-31.3	179.6	-69	175.8	-179	-123.9	5	112.7	E60 R66 G67	E60-R64 HydrophobicContact CG-CG 4.43Å; E60-R64 WeakPolarHBondContact O-CG 3.47Å; E60-R64 PolarHBondContact O-N 2.75Å; E60-R64 IonicContact OE1-CZ 3.99Å; E60-R64 IonicContact OE1-NE 3.89Å; E60-R64 PolarHBondContact OE1-NE 3.49Å; E60-R64 IonicContact OE1-NH2 3.13Å; E60-R64 PolarHBondContact OE1-NH2 2.87Å; R64-R66 VanDerWaalsContact C-N 3.29Å; R64-R66 PolarHBondContact O-N 3.47Å; R64-G67 PolarHBondContact O-N 3.3Å; R64-G67 VanDerWaalsContact O-N 3.11Å
65	R	94	Very high	91.7	Very high	100 Å²	100	68.1 Å²	68.1	38%	0.377	34%	0.34	S	S	.	.	H	α-helix	trans	-70.6	-22.7	176.7	-76.3	-176.3	71.2	-143.7	-6.1	113.3	R61 A62 C63 K112 D113	R61-R65 WeakPolarHBondContact O-CG 3.5Å; R61-R65 PolarHBondContact O-N 2.76Å; A62-R65 PolarHBondContact O-N 2.88Å; C63-R65 VanDerWaalsContact C-N 3.27Å; C63-R65 PolarHBondContact O-N 2.82Å; R65-K112 PolarHBondContact O-N 3.38Å; R65-D113 HydrophobicContact CB-CB 4.1Å; R65-D113 IonicContact CZ-OD2 3.74Å; R65-D113 IonicContact NE-OD2 3.42Å; R65-D113 IonicContact NH1-OD2 3.76Å; R65-D113 PolarHBondContact NH1-OD2 3.01Å; R65-D113 VanDerWaalsContact NH2-CG 3.33Å; R65-D113 IonicContact NH2-OD2 2.75Å; R65-D113 PolarHBondContact NH2-OD2 2.97Å; R65-D113 PolarHBondContact O-N 2.78Å
66	R	93.4	Very high	91.4	Very high	33 Å²	33	74.6 Å²	74.6	13%	0.125	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.8	169.8	-74.4	178.6	-174.5	-167.4	3.7	113.2	C52 H53 D55 A62 C63 R64 C68 D113	C52-R66 WeakPolarHBondContact O-CD 3.34Å; C52-R66 PolarHBondContact O-NH1 2.97Å; H53-R66 PolarHBondContact CD2-NE 2.75Å; D55-R66 IonicContact OD2-CZ 3.81Å; D55-R66 IonicContact OD2-NH1 3.22Å; D55-R66 PolarHBondContact OD2-NH1 3Å; D55-R66 IonicContact OD2-NH2 2.68Å; D55-R66 PolarHBondContact OD2-NH2 3Å; A62-R66 PolarHBondContact O-N 2.67Å; C63-R66 WeakPolarHBondContact O-CB 3.34Å; C63-R66 PolarHBondContact O-N 2.79Å; C63-R66 VanDerWaalsContact O-N 3.09Å; R64-R66 VanDerWaalsContact C-N 3.29Å; R64-R66 PolarHBondContact O-N 3.47Å; R66-C68 VanDerWaalsContact C-N 3.33Å; R66-C68 WeakPolarHBondContact CB-SG 3.34Å; R66-D113 WeakPolarHBondContact CG-O 3.38Å
67	G	93.3	Very high	91.5	Very high	8 Å²	8	75.1 Å²	75.1	8%	0.082	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	19.6	-174.6	0	0	0	0	0	113.7	R64 A109	R64-G67 PolarHBondContact O-N 3.3Å; R64-G67 VanDerWaalsContact O-N 3.11Å; G67-A109 WeakPolarHBondContact CA-O 3.22Å
68	C	95	Very high	91.8	Very high	11 Å²	11	72.3 Å²	72.3	7%	0.074	36%	0.361	C	S	.	.			trans	-91.6	167.5	-179.5	-43.2	0	0	0	0	112.4	C52 C63 R66 C82	C52-C68 HydrophobicContact CB-CB 3.6Å; C52-C68 WeakPolarHBondContact CB-SG 3.48Å; C52-C68 WeakPolarHBondContact SG-CB 3.37Å; C52-C68 CovalentContact SG-SG 2Å; C52-C68 PolarHBondContact SG-SG 3.29Å; C63-C68 VanDerWaalsContact O-CB 3.31Å; C63-C68 WeakPolarHBondContact O-CB 3.41Å; C63-C68 PolarHBondContact O-N 3.08Å; C63-C68 PolarHBondContact O-SG 2.83Å; C63-C68 VanDerWaalsContact O-SG 3.4Å; C63-C68 WeakPolarHBondContact SG-CB 3.27Å; R66-C68 VanDerWaalsContact C-N 3.33Å; R66-C68 WeakPolarHBondContact CB-SG 3.34Å; C68-C82 WeakPolarHBondContact CB-SG 3.26Å
69	S	94.6	Very high	92.2	Very high	18 Å²	18	68.3 Å²	68.3	13%	0.126	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	144.4	169.7	-66.2	0	0	0	0	111.4	C63 C82 Y83	C63-S69 PolarHBondContact SG-O 2.75Å; S69-C82 WeakPolarHBondContact O-CA 3.22Å; S69-Y83 PolarHBondContact N-O 3.08Å; S69-Y83 PolarHBondContact O-N 2.94Å
70	W	93.8	Very high	92.2	Very high	46 Å²	46	65.4 Å²	65.4	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.3	176.6	179.7	-89.8	0	0	0	111	E58 N59 E60 C63 V72 S81 C82	E58-W70 HydrophobicContact CG-CH2 4.23Å; E58-W70 HydrophobicContact CG-CZ3 4.06Å; N59-W70 VanDerWaalsContact C-CZ3 3.46Å; E60-W70 HydrophobicContact CB-CB 4.49Å; E60-W70 HydrophobicContact CB-CD2 3.68Å; E60-W70 HydrophobicContact CB-CE3 4.26Å; E60-W70 HydrophobicContact CB-CG 3.78Å; E60-W70 HydrophobicContact CB-CZ2 4.28Å; E60-W70 HydrophobicContact CG-CB 3.93Å; E60-W70 HydrophobicContact CG-CD2 4.1Å; E60-W70 HydrophobicContact CG-CG 3.62Å; C63-W70 HydrophobicContact CB-CE3 3.75Å; C63-W70 HydrophobicContact CB-CZ3 4.38Å; W70-V72 HydrophobicContact CZ2-CG2 4.49Å; W70-S81 CarbonylContact C-O 3.21Å; W70-S81 VanDerWaalsContact CA-O 3.3Å; W70-S81 WeakPolarHBondContact CA-O 3.32Å; W70-C82 HydrophobicContact CE3-CB 3.96Å; W70-C82 HydrophobicContact CZ3-CB 4.17Å
71	T	94.5	Very high	92.2	Very high	54 Å²	54	62.4 Å²	62.4	33%	0.331	32%	0.316	S	S	.	.			trans	-152	121	170.7	-50	0	0	0	0	108.9	R49 S81 Y83	R49-T71 PolarHBondContact NH1-O 2.94Å; T71-S81 PolarHBondContact N-O 2.76Å; T71-S81 WeakPolarHBondContact O-CA 3.39Å; T71-Y83 PolarHBondContact OG1-OH 3.01Å
72	V	92.5	Very high	92.2	Very high	92 Å²	92	53 Å²	53	56%	0.558	28%	0.281	S	S	*	.			trans	-63.6	127.8	178.8	-176.4	0	0	0	0	109	W70	W70-V72 HydrophobicContact CZ2-CG2 4.49Å
73	P	91.4	Very high	92.3	Very high	29 Å²	29	51.9 Å²	51.9	19%	0.188	27%	0.271	C	S	.	.			trans	-57.1	147.2	173.7	-19.9	28.1	0	0	0	111.8	E46 A79 S81	E46-P73 WeakPolarHBondContact OE1-CA 3.42Å; E46-P73 WeakPolarHBondContact OE2-CA 3.46Å; E46-P73 WeakPolarHBondContact OE2-CB 3.47Å; P73-A79 HydrophobicContact CB-CB 4.13Å; P73-A79 HydrophobicContact CG-CB 4Å; P73-A79 WeakPolarHBondContact CG-O 3.48Å; P73-S81 WeakPolarHBondContact CD-OG 3.34Å
74	T	91	Very high	92.3	Very high	126 Å²	126	52.6 Å²	52.6	77%	0.773	27%	0.274	S	S	*	.			trans	-106.6	-19.4	175.7	56.6	0	0	0	0	111.9	E46	E46-T74 VanDerWaalsContact CD-N 3.28Å; E46-T74 PolarHBondContact OE1-N 2.8Å; E46-T74 PolarHBondContact OE1-OG1 3.02Å; E46-T74 PolarHBondContact OE2-N 3.02Å
75	E	85.9	Confident	92.1	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	26%	0.256	S	S	.	.	S	Bend	trans	-106.8	163.5	-178.4	-58.5	-179.3	138.7	0	0	111.8	E46 H47 Y77	E46-E75 WeakPolarHBondContact OE2-CB 3.17Å; E46-E75 PolarHBondContact OE2-N 2.79Å; H47-E75 IonicContact NE2-OE2 3.01Å; E75-Y77 HydrophobicContact CB-CD2 3.56Å; E75-Y77 HydrophobicContact CB-CE2 3.36Å; E75-Y77 HydrophobicContact CG-CE2 4.13Å; E75-Y77 PolarHBondContact O-N 3.2Å; E75-Y77 VanDerWaalsContact OE2-CE2 3.24Å; E75-Y77 WeakPolarHBondContact OE2-CE2 3.47Å
76	N	81.5	Confident	91.8	Very high	150 Å²	150	44 Å²	44	80%	0.802	25%	0.248	S	C	*	.	S	Bend	trans	-96.8	58.2	-170.8	-163.2	26.4	0	0	0	112.5
77	Y	84.2	Confident	91.5	Very high	69 Å²	69	45.2 Å²	45.2	27%	0.271	26%	0.262	S	S	.	.	S	Bend	trans	-110.8	2.6	179.1	-56.2	-59.6	0	0	0	114.1	H47 E75 A79 S231 T232 F233 P288	H47-Y77 AromaticContact CE1-CD2 3.53Å; H47-Y77 AromaticContact CE1-CE1 3.64Å; H47-Y77 AromaticContact CE1-CE2 3.07Å; H47-Y77 WeakPolarHBondContact CE1-CE2 3.45Å; H47-Y77 AromaticContact CE1-CG 3.98Å; H47-Y77 AromaticContact CE1-CZ 3.16Å; H47-Y77 AromaticContact ND1-CD2 3.93Å; H47-Y77 AromaticContact ND1-CE2 3.92Å; H47-Y77 AromaticContact NE2-CE2 3.31Å; H47-Y77 VanDerWaalsContact NE2-CE2 3.31Å; H47-Y77 WeakPolarHBondContact NE2-CE2 3.12Å; H47-Y77 AromaticContact NE2-CZ 3.61Å; E75-Y77 HydrophobicContact CB-CD2 3.56Å; E75-Y77 HydrophobicContact CB-CE2 3.36Å; E75-Y77 HydrophobicContact CG-CE2 4.13Å; E75-Y77 PolarHBondContact O-N 3.2Å; E75-Y77 VanDerWaalsContact OE2-CE2 3.24Å; E75-Y77 WeakPolarHBondContact OE2-CE2 3.47Å; Y77-A79 PolarHBondContact O-N 3.4Å; Y77-S231 WeakPolarHBondContact CD1-O 3.29Å; Y77-T232 CarbonylContact O-C 3.41Å; Y77-T232 WeakPolarHBondContact O-CA 3.48Å; Y77-T232 WeakPolarHBondContact O-CB 3.45Å; Y77-F233 WeakPolarHBondContact O-CD2 3.49Å; Y77-F233 PolarHBondContact O-N 3.06Å; Y77-P288 HydrophobicContact CG-CG 4.46Å
78	S	90.9	Very high	91.5	Very high	82 Å²	82	45.4 Å²	45.4	57%	0.573	26%	0.26	S	S	*	.			trans	56.8	31.7	-165.4	-51.3	0	0	0	0	112.6
79	A	93.7	Very high	91.4	Very high	8 Å²	8	45 Å²	45	7%	0.066	26%	0.258	C	S	.	.			trans	-59.6	143.3	179.2	0	0	0	0	0	110.9	E46 P73 Y77 S81 F233	E46-A79 HydrophobicContact CB-CB 3.98Å; E46-A79 WeakPolarHBondContact O-CB 3.26Å; P73-A79 HydrophobicContact CB-CB 4.13Å; P73-A79 HydrophobicContact CG-CB 4Å; P73-A79 WeakPolarHBondContact CG-O 3.48Å; Y77-A79 PolarHBondContact O-N 3.4Å; A79-S81 PolarHBondContact O-N 2.98Å; A79-F233 VanDerWaalsContact CA-CD2 3.46Å; A79-F233 HydrophobicContact CB-CD2 4.13Å; A79-F233 HydrophobicContact CB-CE2 3.77Å
80	P	94.7	Very high	91.5	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.084	25%	0.252	C	S	.	.			trans	-69.3	133.8	-179.6	28.2	-35.3	0	0	0	110.6	R49 D51 C82	R49-P80 HydrophobicContact CB-CG 3.71Å; R49-P80 WeakPolarHBondContact CD-O 3.39Å; R49-P80 PolarHBondContact NH1-O 2.81Å; R49-P80 VanDerWaalsContact NH1-O 3.13Å; D51-P80 HydrophobicContact CB-CB 3.71Å; D51-P80 HydrophobicContact CB-CG 3.91Å; P80-C82 VanDerWaalsContact C-N 3.27Å
81	S	94.5	Very high	91.5	Very high	17 Å²	17	43.1 Å²	43.1	12%	0.119	25%	0.252	C	S	.	.	S	Bend	trans	-68.8	-31.5	170.2	-66.2	0	0	0	0	111.4	W70 T71 P73 A79	W70-S81 CarbonylContact C-O 3.21Å; W70-S81 VanDerWaalsContact CA-O 3.3Å; W70-S81 WeakPolarHBondContact CA-O 3.32Å; T71-S81 PolarHBondContact N-O 2.76Å; T71-S81 WeakPolarHBondContact O-CA 3.39Å; P73-S81 WeakPolarHBondContact CD-OG 3.34Å; A79-S81 PolarHBondContact O-N 2.98Å
82	C	95.5	Very high	91.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.6	177.5	-170.5	0	0	0	0	111.3	D51 C52 H53 C63 C68 S69 W70 P80	D51-C82 VanDerWaalsContact OD1-O 3.13Å; C52-C82 PolarHBondContact N-O 3.17Å; H53-C82 HydrophobicContact CB-CB 3.86Å; C63-C82 WeakPolarHBondContact CA-SG 3.47Å; C63-C82 HydrophobicContact CB-CB 3.72Å; C63-C82 WeakPolarHBondContact CB-SG 3.24Å; C63-C82 WeakPolarHBondContact SG-CA 3.32Å; C63-C82 WeakPolarHBondContact SG-CB 3.34Å; C63-C82 CovalentContact SG-SG 2.03Å; C63-C82 PolarHBondContact SG-SG 2.72Å; C68-C82 WeakPolarHBondContact CB-SG 3.26Å; S69-C82 WeakPolarHBondContact O-CA 3.22Å; W70-C82 HydrophobicContact CE3-CB 3.96Å; W70-C82 HydrophobicContact CZ3-CB 4.17Å; P80-C82 VanDerWaalsContact C-N 3.27Å
83	Y	95.2	Very high	91.5	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.5	-174.9	59	-88.8	0	0	0	112.7	V41 I44 R49 V50 S69 T71	V41-Y83 VanDerWaalsContact CG1-OH 3.28Å; V41-Y83 WeakPolarHBondContact CG1-OH 3.44Å; I44-Y83 HydrophobicContact CB-CD2 4.2Å; I44-Y83 HydrophobicContact CB-CE2 3.93Å; I44-Y83 HydrophobicContact CD1-CD2 3.87Å; I44-Y83 HydrophobicContact CD1-CE2 3.96Å; I44-Y83 HydrophobicContact CG1-CD2 4.4Å; I44-Y83 HydrophobicContact CG1-CE2 4.09Å; R49-Y83 HydrophobicContact CB-CG 4.35Å; R49-Y83 HydrophobicContact CG-CD1 4.22Å; R49-Y83 HydrophobicContact CG-CD2 4.43Å; R49-Y83 HydrophobicContact CG-CG 4Å; V50-Y83 VanDerWaalsContact O-CA 3.28Å; V50-Y83 WeakPolarHBondContact O-CA 3.33Å; V50-Y83 WeakPolarHBondContact O-CB 3.38Å; S69-Y83 PolarHBondContact N-O 3.08Å; S69-Y83 PolarHBondContact O-N 2.94Å; T71-Y83 PolarHBondContact OG1-OH 3.01Å
84	Y	93.8	Very high	91.6	Very high	14 Å²	14	41.4 Å²	41.4	6%	0.055	25%	0.248	C	C	.	.			trans	-68.9	129	179.5	-71.3	-76.4	0	0	0	110.5	I44 V50 D51 C52 Y88 V198	I44-Y84 VanDerWaalsContact CD1-O 3.31Å; I44-Y84 WeakPolarHBondContact CD1-O 3.22Å; V50-Y84 HydrophobicContact CB-CD2 4.03Å; V50-Y84 HydrophobicContact CG1-CD2 3.79Å; V50-Y84 HydrophobicContact CG1-CE2 4.1Å; V50-Y84 WeakPolarHBondContact O-CD2 3.47Å; V50-Y84 PolarHBondContact O-N 3.09Å; V50-Y84 VanDerWaalsContact O-N 3.12Å; D51-Y84 WeakPolarHBondContact O-CE2 3.42Å; C52-Y84 VanDerWaalsContact CA-CE2 3.43Å; C52-Y84 HydrophobicContact CB-CD1 3.92Å; C52-Y84 HydrophobicContact CB-CD2 3.79Å; C52-Y84 HydrophobicContact CB-CE1 3.92Å; C52-Y84 HydrophobicContact CB-CE2 3.77Å; C52-Y84 HydrophobicContact CB-CG 3.85Å; C52-Y84 WeakPolarHBondContact SG-CD1 3.36Å; C52-Y84 WeakPolarHBondContact SG-CE1 3.47Å; Y84-Y88 AromaticContact CD1-CD1 3.52Å; Y84-Y88 HydrophobicContact CD1-CD1 3.52Å; Y84-Y88 AromaticContact CD1-CD2 3.76Å; Y84-Y88 HydrophobicContact CD1-CD2 3.76Å; Y84-Y88 AromaticContact CD1-CE1 3.92Å; Y84-Y88 HydrophobicContact CD1-CE1 3.92Å; Y84-Y88 HydrophobicContact CD1-CE2 4.1Å; Y84-Y88 AromaticContact CD1-CG 3.48Å; Y84-Y88 HydrophobicContact CD1-CG 3.48Å; Y84-Y88 VanDerWaalsContact CD1-CG 3.48Å; Y84-Y88 AromaticContact CE1-CD1 3.77Å; Y84-Y88 HydrophobicContact CE1-CD1 3.77Å; Y84-Y88 HydrophobicContact CE1-CD2 4.23Å; Y84-Y88 AromaticContact CE1-CE1 3.66Å; Y84-Y88 HydrophobicContact CE1-CE1 3.66Å; Y84-Y88 HydrophobicContact CE1-CE2 4.1Å; Y84-Y88 HydrophobicContact CE1-CG 4.1Å; Y84-Y88 AromaticContact CE1-CZ 3.86Å; Y84-Y88 HydrophobicContact CG-CG 4.48Å; Y84-V198 HydrophobicContact CD1-CG2 4.44Å; Y84-V198 HydrophobicContact CE1-CG2 3.59Å; Y84-V198 HydrophobicContact CE2-CG2 4.29Å
85	P	91.5	Very high	91.7	Very high	20 Å²	20	41.2 Å²	41.2	13%	0.13	24%	0.237	C	C	.	.			trans	-67.6	159.6	169.5	28.3	-33	0	0	0	110.8	S87 Y88	P85-S87 PolarHBondContact O-N 2.81Å; P85-Y88 WeakPolarHBondContact O-CB 3.28Å; P85-Y88 PolarHBondContact O-N 2.99Å
86	T	87.5	Confident	92.1	Very high	36 Å²	36	41.9 Å²	41.9	22%	0.221	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.8	-179.2	66.5	0	0	0	0	113.9	E42 I44 S175 K177	E42-T86 VanDerWaalsContact CD-CG2 3.43Å; E42-T86 WeakPolarHBondContact OE1-CG2 3.48Å; E42-T86 WeakPolarHBondContact OE2-CB 3.37Å; E42-T86 WeakPolarHBondContact OE2-CG2 3.47Å; E42-T86 PolarHBondContact OE2-OG1 2.9Å; I44-T86 HydrophobicContact CD1-CG2 4.07Å; I44-T86 HydrophobicContact CG1-CG2 4.42Å; T86-S175 PolarHBondContact O-OG 2.93Å; T86-K177 WeakPolarHBondContact O-CD 3.41Å; T86-K177 WeakPolarHBondContact O-CE 3.44Å; T86-K177 PolarHBondContact O-NZ 3.2Å
87	S	87.3	Confident	92.7	Very high	58 Å²	58	37.7 Å²	37.7	41%	0.406	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.3	175.5	57.4	0	0	0	0	114.3	P85 L106	P85-S87 PolarHBondContact O-N 2.81Å; S87-L106 WeakPolarHBondContact O-CD1 3.47Å
88	Y	91.8	Very high	93	Very high	11 Å²	11	38.3 Å²	38.3	4%	0.043	24%	0.241	C	C	.	.			trans	-82.3	133.1	-179.7	-154.8	-71.6	0	0	0	111.6	Y84 P85 R105 I108 E111 K177 V198	Y84-Y88 AromaticContact CD1-CD1 3.52Å; Y84-Y88 HydrophobicContact CD1-CD1 3.52Å; Y84-Y88 AromaticContact CD1-CD2 3.76Å; Y84-Y88 HydrophobicContact CD1-CD2 3.76Å; Y84-Y88 AromaticContact CD1-CE1 3.92Å; Y84-Y88 HydrophobicContact CD1-CE1 3.92Å; Y84-Y88 HydrophobicContact CD1-CE2 4.1Å; Y84-Y88 AromaticContact CD1-CG 3.48Å; Y84-Y88 HydrophobicContact CD1-CG 3.48Å; Y84-Y88 VanDerWaalsContact CD1-CG 3.48Å; Y84-Y88 AromaticContact CE1-CD1 3.77Å; Y84-Y88 HydrophobicContact CE1-CD1 3.77Å; Y84-Y88 HydrophobicContact CE1-CD2 4.23Å; Y84-Y88 AromaticContact CE1-CE1 3.66Å; Y84-Y88 HydrophobicContact CE1-CE1 3.66Å; Y84-Y88 HydrophobicContact CE1-CE2 4.1Å; Y84-Y88 HydrophobicContact CE1-CG 4.1Å; Y84-Y88 AromaticContact CE1-CZ 3.86Å; Y84-Y88 HydrophobicContact CG-CG 4.48Å; P85-Y88 WeakPolarHBondContact O-CB 3.28Å; P85-Y88 PolarHBondContact O-N 2.99Å; Y88-R105 PolarHBondContact OH-NH2 3.03Å; Y88-I108 HydrophobicContact CD1-CD1 4.14Å; Y88-I108 HydrophobicContact CD2-CB 4.43Å; Y88-I108 HydrophobicContact CD2-CD1 3.8Å; Y88-I108 HydrophobicContact CD2-CG1 4.04Å; Y88-I108 HydrophobicContact CD2-CG2 3.52Å; Y88-I108 HydrophobicContact CE1-CD1 4.41Å; Y88-I108 HydrophobicContact CE1-CG1 4.48Å; Y88-I108 HydrophobicContact CE2-CB 4.23Å; Y88-I108 HydrophobicContact CE2-CD1 4.12Å; Y88-I108 HydrophobicContact CE2-CG1 3.86Å; Y88-I108 HydrophobicContact CE2-CG2 3.41Å; Y88-I108 VanDerWaalsContact CE2-CG2 3.41Å; Y88-I108 HydrophobicContact CG-CD1 3.79Å; Y88-I108 HydrophobicContact CG-CG1 4.44Å; Y88-E111 PolarHBondContact OH-OE1 3.07Å; Y88-K177 WeakPolarHBondContact O-CD 3.24Å; Y88-V198 HydrophobicContact CD1-CG2 4.27Å; Y88-V198 HydrophobicContact CE1-CG2 3.83Å
89	G	94.2	Very high	93.1	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	23%	0.228	C	C	.	.	S	Bend	trans	138.2	-142.4	172.5	0	0	0	0	0	113.2	L106	G89-L106 WeakPolarHBondContact O-CB 3.36Å; G89-L106 PolarHBondContact O-N 3.17Å
90	Y	95.5	Very high	93.3	Very high	3 Å²	3	39 Å²	39	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	160.5	-178.6	-68.9	-102.7	0	0	0	110.5	L103 Q104 R105 I119 L122 K177 F178 L197 Y199	Y90-L103 HydrophobicContact CD1-CB 4.18Å; Y90-L103 HydrophobicContact CG-CB 4.4Å; Y90-Q104 CarbonylContact C-O 3.54Å; Y90-Q104 WeakPolarHBondContact CA-O 3.47Å; Y90-R105 VanDerWaalsContact CD1-CA 3.46Å; Y90-R105 HydrophobicContact CD1-CB 3.99Å; Y90-R105 VanDerWaalsContact CD1-N 3.29Å; Y90-R105 HydrophobicContact CE1-CB 3.62Å; Y90-R105 HydrophobicContact CE1-CG 4.13Å; Y90-I119 WeakPolarHBondContact CE1-O 3.19Å; Y90-I119 PolarHBondContact OH-O 3.25Å; Y90-L122 HydrophobicContact CD1-CD1 3.77Å; Y90-L122 HydrophobicContact CD1-CG 4Å; Y90-L122 HydrophobicContact CD2-CD1 4.05Å; Y90-L122 HydrophobicContact CE1-CD1 3.49Å; Y90-L122 VanDerWaalsContact CE1-CD1 3.49Å; Y90-L122 HydrophobicContact CE1-CD2 4.44Å; Y90-L122 HydrophobicContact CE1-CG 3.55Å; Y90-L122 HydrophobicContact CE2-CD1 3.77Å; Y90-L122 HydrophobicContact CG-CD1 4.08Å; Y90-L122 VanDerWaalsContact CZ-CD1 3.49Å; Y90-K177 CarbonylContact O-C 3.46Å; Y90-K177 WeakPolarHBondContact O-CA 3.48Å; Y90-F178 WeakPolarHBondContact O-CB 3.29Å; Y90-F178 PolarHBondContact O-N 2.84Å; Y90-L197 HydrophobicContact CD2-CD2 3.94Å; Y90-L197 HydrophobicContact CD2-CG 4Å; Y90-L197 HydrophobicContact CE2-CG 4.46Å; Y90-L197 HydrophobicContact CG-CD2 4.45Å; Y90-Y199 WeakPolarHBondContact OH-CB 3.28Å; Y90-Y199 PolarHBondContact OH-O 3.47Å
91	A	94.2	Very high	93.4	Very high	21 Å²	21	38.4 Å²	38.4	17%	0.174	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.7	170.9	0	0	0	0	0	110.2	S93 L103 Q104 L106 G176	A91-S93 PolarHBondContact O-N 3.11Å; A91-S93 VanDerWaalsContact O-N 3.17Å; A91-L103 CarbonylContact O-C 3.52Å; A91-L103 VanDerWaalsContact O-CA 3.29Å; A91-L103 WeakPolarHBondContact O-CA 3.3Å; A91-Q104 PolarHBondContact N-O 2.88Å; A91-Q104 PolarHBondContact O-N 3.21Å; A91-L106 HydrophobicContact CB-CD2 3.7Å; A91-L106 HydrophobicContact CB-CG 4.17Å; A91-G176 VanDerWaalsContact CB-O 3.24Å; A91-G176 WeakPolarHBondContact CB-O 3.33Å
92	L	94.3	Very high	93.5	Very high	47 Å²	47	38 Å²	38	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	112.4	171.9	-178.4	69.7	0	0	0	109.6	G94 L101 L103 F169 F178	L92-G94 WeakPolarHBondContact CD1-O 3.32Å; L92-L101 HydrophobicContact CD1-CB 3.84Å; L92-L101 HydrophobicContact CD1-CD1 4.34Å; L92-L101 HydrophobicContact CD1-CD2 4.34Å; L92-L101 HydrophobicContact CD1-CG 4.4Å; L92-L103 HydrophobicContact CD1-CD2 4.05Å; L92-F169 HydrophobicContact CD2-CD2 4.02Å; L92-F169 HydrophobicContact CD2-CE2 3.56Å; L92-F178 HydrophobicContact CB-CD2 4.01Å; L92-F178 HydrophobicContact CD1-CE2 4.49Å
93	S	93.7	Very high	93.6	Very high	66 Å²	66	38 Å²	38	46%	0.462	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-22.3	-179.8	62.7	0	0	0	0	113.4	A91 I102	A91-S93 PolarHBondContact O-N 3.11Å; A91-S93 VanDerWaalsContact O-N 3.17Å; S93-I102 PolarHBondContact N-O 2.94Å; S93-I102 WeakPolarHBondContact OG-CG2 3.41Å; S93-I102 PolarHBondContact OG-O 3.17Å
94	G	93.4	Very high	93.7	Very high	27 Å²	27	41 Å²	41	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	179.9	-179.7	0	0	0	0	0	113.7	L92 I102	L92-G94 WeakPolarHBondContact CD1-O 3.32Å; G94-I102 PolarHBondContact N-O 2.94Å; G94-I102 PolarHBondContact O-N 3.43Å
95	K	93.5	Very high	93.8	Very high	122 Å²	122	41.6 Å²	41.6	53%	0.53	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.6	174.2	-57.6	-173.4	-176.5	173.9	0	108.3	K100 L101	K95-K100 WeakPolarHBondContact CA-O 3.33Å; K95-L101 HydrophobicContact CB-CD2 4.48Å; K95-L101 HydrophobicContact CD-CD2 3.85Å; K95-L101 HydrophobicContact CG-CD2 3.71Å
96	E	93.8	Very high	93.9	Very high	110 Å²	110	42.5 Å²	42.5	51%	0.514	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-30.1	170.1	-73.5	-177.2	-167.8	0	0	111.1	K100 I102	E96-K100 HydrophobicContact CB-CB 4.29Å; E96-K100 HydrophobicContact CB-CD 3.99Å; E96-K100 HydrophobicContact CB-CG 4.11Å; E96-K100 PolarHBondContact N-O 3.29Å; E96-K100 VanDerWaalsContact OE2-CD 3.29Å; E96-K100 WeakPolarHBondContact OE2-CD 3.37Å; E96-K100 WeakPolarHBondContact OE2-CE 3.37Å; E96-K100 IonicContact OE2-NZ 3.61Å; E96-K100 PolarHBondContact OE2-NZ 2.96Å; E96-I102 HydrophobicContact CG-CD1 3.96Å; E96-I102 HydrophobicContact CG-CG1 4.15Å
97	S	94	Very high	94.1	Very high	63 Å²	63	47.6 Å²	47.6	44%	0.441	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	179.6	171.2	78.2	0	0	0	0	109.9	A99 K100	S97-A99 PolarHBondContact O-N 3.01Å; S97-A99 PolarHBondContact OG-N 3.34Å; S97-K100 PolarHBondContact N-O 3.34Å; S97-K100 PolarHBondContact O-N 2.97Å; S97-K100 WeakPolarHBondContact OG-CB 3.33Å; S97-K100 PolarHBondContact OG-N 3.45Å; S97-K100 VanDerWaalsContact OG-N 3.15Å
98	A	89.3	Confident	94.3	Very high	81 Å²	81	45.6 Å²	45.6	67%	0.669	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.4	173.4	0	0	0	0	0	112.4	Y126	A98-Y126 WeakPolarHBondContact O-CE1 3.37Å; A98-Y126 PolarHBondContact O-OH 3.42Å
99	A	93.8	Very high	94.1	Very high	36 Å²	36	47.8 Å²	47.8	30%	0.298	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	1.2	-175.6	0	0	0	0	0	114.3	S97 T125 Y126	S97-A99 PolarHBondContact O-N 3.01Å; S97-A99 PolarHBondContact OG-N 3.34Å; A99-T125 VanDerWaalsContact O-CA 3.29Å; A99-T125 WeakPolarHBondContact O-CA 3.34Å; A99-Y126 VanDerWaalsContact CA-CE1 3.43Å; A99-Y126 HydrophobicContact CB-CE1 4.31Å; A99-Y126 WeakPolarHBondContact CB-O 3.23Å; A99-Y126 PolarHBondContact O-N 2.7Å; A99-Y126 VanDerWaalsContact O-N 3.12Å
100	K	97.3	Very high	93.7	Very high	69 Å²	69	52.1 Å²	52.1	30%	0.3	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	102.8	-176.1	-169.9	173.1	-174.6	-163.6	0	110.8	K95 E96 S97 V123 L124 T125	K95-K100 WeakPolarHBondContact CA-O 3.33Å; E96-K100 HydrophobicContact CB-CB 4.29Å; E96-K100 HydrophobicContact CB-CD 3.99Å; E96-K100 HydrophobicContact CB-CG 4.11Å; E96-K100 PolarHBondContact N-O 3.29Å; E96-K100 VanDerWaalsContact OE2-CD 3.29Å; E96-K100 WeakPolarHBondContact OE2-CD 3.37Å; E96-K100 WeakPolarHBondContact OE2-CE 3.37Å; E96-K100 IonicContact OE2-NZ 3.61Å; E96-K100 PolarHBondContact OE2-NZ 2.96Å; S97-K100 PolarHBondContact N-O 3.34Å; S97-K100 PolarHBondContact O-N 2.97Å; S97-K100 WeakPolarHBondContact OG-CB 3.33Å; S97-K100 PolarHBondContact OG-N 3.45Å; S97-K100 VanDerWaalsContact OG-N 3.15Å; K100-V123 HydrophobicContact CD-CG1 4.22Å; K100-V123 VanDerWaalsContact CE-CG1 3.42Å; K100-V123 HydrophobicContact CG-CG1 3.75Å; K100-L124 CarbonylContact C-O 3.49Å; K100-L124 WeakPolarHBondContact CA-O 3.37Å; K100-T125 HydrophobicContact CB-CG2 4.24Å; K100-T125 HydrophobicContact CD-CG2 4.26Å; K100-T125 HydrophobicContact CG-CG2 3.84Å
101	L	97.1	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.3	-176.2	-49.8	-176.5	0	0	0	110.4	L92 K95 V123 L124 F169 F178	L92-L101 HydrophobicContact CD1-CB 3.84Å; L92-L101 HydrophobicContact CD1-CD1 4.34Å; L92-L101 HydrophobicContact CD1-CD2 4.34Å; L92-L101 HydrophobicContact CD1-CG 4.4Å; K95-L101 HydrophobicContact CB-CD2 4.48Å; K95-L101 HydrophobicContact CD-CD2 3.85Å; K95-L101 HydrophobicContact CG-CD2 3.71Å; L101-V123 WeakPolarHBondContact O-CA 3.3Å; L101-L124 HydrophobicContact CB-CB 4.34Å; L101-L124 HydrophobicContact CD1-CD2 4.18Å; L101-L124 HydrophobicContact CG-CD2 4.4Å; L101-L124 PolarHBondContact N-O 3.11Å; L101-L124 PolarHBondContact O-N 2.98Å; L101-F169 HydrophobicContact CD1-CD1 4.41Å; L101-F169 HydrophobicContact CD1-CE1 4.3Å; L101-F169 HydrophobicContact CD1-CZ 4.46Å; L101-F169 HydrophobicContact CD2-CZ 4.46Å; L101-F178 HydrophobicContact CD1-CE2 3.96Å; L101-F178 HydrophobicContact CD1-CZ 3.87Å
102	I	97.3	Very high	93.6	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.046	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.4	174	-51.6	-57.6	0	0	0	108.2	S93 G94 E96 V123 K141	S93-I102 PolarHBondContact N-O 2.94Å; S93-I102 WeakPolarHBondContact OG-CG2 3.41Å; S93-I102 PolarHBondContact OG-O 3.17Å; G94-I102 PolarHBondContact N-O 2.94Å; G94-I102 PolarHBondContact O-N 3.43Å; E96-I102 HydrophobicContact CG-CD1 3.96Å; E96-I102 HydrophobicContact CG-CG1 4.15Å; I102-V123 HydrophobicContact CD1-CG2 3.86Å; I102-K141 HydrophobicContact CD1-CD 4.35Å; I102-K141 HydrophobicContact CG2-CD 4.16Å
103	L	96.9	Very high	93.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.2	179.4	-48.4	-179.8	0	0	0	109.1	Y90 A91 L92 E121 L122 L124 F178 L197	Y90-L103 HydrophobicContact CD1-CB 4.18Å; Y90-L103 HydrophobicContact CG-CB 4.4Å; A91-L103 CarbonylContact O-C 3.52Å; A91-L103 VanDerWaalsContact O-CA 3.29Å; A91-L103 WeakPolarHBondContact O-CA 3.3Å; L92-L103 HydrophobicContact CD1-CD2 4.05Å; L103-E121 WeakPolarHBondContact O-CA 3.47Å; L103-L122 HydrophobicContact CB-CB 4.22Å; L103-L122 PolarHBondContact N-O 3.17Å; L103-L122 PolarHBondContact O-N 2.68Å; L103-L124 HydrophobicContact CD1-CB 4.25Å; L103-F178 HydrophobicContact CD1-CD1 3.7Å; L103-F178 HydrophobicContact CD1-CE1 3.87Å; L103-F178 HydrophobicContact CD1-CG 4.42Å; L103-F178 HydrophobicContact CD2-CB 4.22Å; L103-F178 HydrophobicContact CD2-CD1 3.67Å; L103-F178 HydrophobicContact CD2-CD2 3.79Å; L103-F178 HydrophobicContact CD2-CE1 3.9Å; L103-F178 HydrophobicContact CD2-CE2 4.01Å; L103-F178 HydrophobicContact CD2-CG 3.6Å; L103-F178 HydrophobicContact CD2-CZ 4.06Å; L103-F178 HydrophobicContact CG-CD1 4.35Å; L103-L197 HydrophobicContact CD1-CD2 4.39Å
104	Q	96.8	Very high	93.4	Very high	66 Å²	66	60.5 Å²	60.5	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.4	174.9	179.7	66.4	56.1	0	0	109.2	Y90 A91 L106 E120 E121	Y90-Q104 CarbonylContact C-O 3.54Å; Y90-Q104 WeakPolarHBondContact CA-O 3.47Å; A91-Q104 PolarHBondContact N-O 2.88Å; A91-Q104 PolarHBondContact O-N 3.21Å; Q104-L106 PolarHBondContact O-N 3.36Å; Q104-E120 PolarHBondContact NE2-O 2.65Å; Q104-E121 VanDerWaalsContact OE1-CG 3.27Å
105	R	96.2	Very high	93.4	Very high	26 Å²	26	60.1 Å²	60.1	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	132.1	174.5	-168	176.1	-173.5	-96	-7	110.8	Y88 Y90 E111 E120	Y88-R105 PolarHBondContact OH-NH2 3.03Å; Y90-R105 VanDerWaalsContact CD1-CA 3.46Å; Y90-R105 HydrophobicContact CD1-CB 3.99Å; Y90-R105 VanDerWaalsContact CD1-N 3.29Å; Y90-R105 HydrophobicContact CE1-CB 3.62Å; Y90-R105 HydrophobicContact CE1-CG 4.13Å; R105-E111 IonicContact CZ-OE1 2.99Å; R105-E111 IonicContact CZ-OE2 3.52Å; R105-E111 IonicContact NH1-OE2 3.9Å; R105-E111 PolarHBondContact NH1-OE2 2.76Å; R105-E111 IonicContact NH2-OE1 3.33Å; R105-E111 PolarHBondContact NH2-OE1 2.91Å; R105-E111 IonicContact NH2-OE2 3.71Å; R105-E111 PolarHBondContact NH2-OE2 2.87Å; R105-E120 WeakPolarHBondContact CB-O 3.42Å; R105-E120 PolarHBondContact N-O 3.18Å
106	L	94.2	Very high	93.5	Very high	39 Å²	39	54.9 Å²	54.9	20%	0.204	31%	0.312	C	S	.	.			trans	-71.9	150.1	174.7	-72.9	170.5	0	0	0	110.6	S87 G89 A91 Q104 I108 K177	S87-L106 WeakPolarHBondContact O-CD1 3.47Å; G89-L106 WeakPolarHBondContact O-CB 3.36Å; G89-L106 PolarHBondContact O-N 3.17Å; A91-L106 HydrophobicContact CB-CD2 3.7Å; A91-L106 HydrophobicContact CB-CG 4.17Å; Q104-L106 PolarHBondContact O-N 3.36Å; L106-I108 HydrophobicContact CB-CD1 4.3Å; L106-I108 PolarHBondContact O-N 2.64Å; L106-I108 VanDerWaalsContact O-N 3.12Å; L106-K177 HydrophobicContact CD1-CB 4.18Å
107	T	91.6	Very high	93.6	Very high	143 Å²	143	53.6 Å²	53.6	88%	0.877	31%	0.311	S	S	*	.			trans	-68.8	110.3	170.1	-55.8	0	0	0	0	109.6
108	I	91.7	Very high	93.8	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.082	30%	0.299	C	S	.	.			trans	-85.6	118.3	179.1	-51.5	-50.8	0	0	0	109.8	Y88 L106 N110 E111	Y88-I108 HydrophobicContact CD1-CD1 4.14Å; Y88-I108 HydrophobicContact CD2-CB 4.43Å; Y88-I108 HydrophobicContact CD2-CD1 3.8Å; Y88-I108 HydrophobicContact CD2-CG1 4.04Å; Y88-I108 HydrophobicContact CD2-CG2 3.52Å; Y88-I108 HydrophobicContact CE1-CD1 4.41Å; Y88-I108 HydrophobicContact CE1-CG1 4.48Å; Y88-I108 HydrophobicContact CE2-CB 4.23Å; Y88-I108 HydrophobicContact CE2-CD1 4.12Å; Y88-I108 HydrophobicContact CE2-CG1 3.86Å; Y88-I108 HydrophobicContact CE2-CG2 3.41Å; Y88-I108 VanDerWaalsContact CE2-CG2 3.41Å; Y88-I108 HydrophobicContact CG-CD1 3.79Å; Y88-I108 HydrophobicContact CG-CG1 4.44Å; L106-I108 HydrophobicContact CB-CD1 4.3Å; L106-I108 PolarHBondContact O-N 2.64Å; L106-I108 VanDerWaalsContact O-N 3.12Å; I108-N110 PolarHBondContact O-N 3.32Å; I108-E111 HydrophobicContact CB-CB 3.93Å; I108-E111 HydrophobicContact CG2-CB 3.82Å
109	A	86.5	Confident	94.2	Very high	57 Å²	57	49 Å²	49	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	135	178.3	0	0	0	0	0	111.2	G67 E111	G67-A109 WeakPolarHBondContact CA-O 3.22Å; A109-E111 PolarHBondContact O-N 3.2Å
110	N	86.3	Confident	94.4	Very high	93 Å²	93	52.1 Å²	52.1	50%	0.497	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	7.9	175	-54	-51.3	0	0	0	116.6	E39 I108 K112	E39-N110 PolarHBondContact OE1-ND2 3.39Å; I108-N110 PolarHBondContact O-N 3.32Å; N110-K112 PolarHBondContact O-N 3.26Å
111	E	93.6	Very high	94.4	Very high	42 Å²	42	52.4 Å²	52.4	20%	0.196	28%	0.282	C	S	.	.			trans	-64.6	120.1	174.2	-175.1	179	-120.2	0	0	110.5	Y88 R105 I108 A109 P114	Y88-E111 PolarHBondContact OH-OE1 3.07Å; R105-E111 IonicContact CZ-OE1 2.99Å; R105-E111 IonicContact CZ-OE2 3.52Å; R105-E111 IonicContact NH1-OE2 3.9Å; R105-E111 PolarHBondContact NH1-OE2 2.76Å; R105-E111 IonicContact NH2-OE1 3.33Å; R105-E111 PolarHBondContact NH2-OE1 2.91Å; R105-E111 IonicContact NH2-OE2 3.71Å; R105-E111 PolarHBondContact NH2-OE2 2.87Å; I108-E111 HydrophobicContact CB-CB 3.93Å; I108-E111 HydrophobicContact CG2-CB 3.82Å; A109-E111 PolarHBondContact O-N 3.2Å; E111-P114 HydrophobicContact CG-CB 4.43Å
112	K	93.8	Very high	94.5	Very high	157 Å²	157	52.4 Å²	52.4	68%	0.683	28%	0.282	S	S	*	.			trans	-127.2	-19.2	-179.1	-69.2	177.7	-176.2	178	0	112.8	R65 N110	R65-K112 PolarHBondContact O-N 3.38Å; N110-K112 PolarHBondContact O-N 3.26Å
113	D	92.3	Very high	94.6	Very high	76 Å²	76	52.4 Å²	52.4	41%	0.406	28%	0.283	S	S	.	.			trans	-147	66.6	-170.3	-151.5	7	0	0	0	109.6	R65 R66	R65-D113 HydrophobicContact CB-CB 4.1Å; R65-D113 IonicContact CZ-OD2 3.74Å; R65-D113 IonicContact NE-OD2 3.42Å; R65-D113 IonicContact NH1-OD2 3.76Å; R65-D113 PolarHBondContact NH1-OD2 3.01Å; R65-D113 VanDerWaalsContact NH2-CG 3.33Å; R65-D113 IonicContact NH2-OD2 2.75Å; R65-D113 PolarHBondContact NH2-OD2 2.97Å; R65-D113 PolarHBondContact O-N 2.78Å; R66-D113 WeakPolarHBondContact CG-O 3.38Å
114	P	92.9	Very high	94.6	Very high	38 Å²	38	52.4 Å²	52.4	25%	0.247	28%	0.283	C	S	.	.			trans	-61.7	153.1	174.5	29.3	-35	0	0	0	110.2	E111 S116 P118	E111-P114 HydrophobicContact CG-CB 4.43Å; P114-S116 VanDerWaalsContact C-N 3.29Å; P114-S116 PolarHBondContact O-N 2.89Å; P114-P118 HydrophobicContact CB-CG 3.75Å; P114-P118 HydrophobicContact CG-CG 3.78Å
115	V	92.8	Very high	94.7	Very high	20 Å²	20	51.5 Å²	51.5	12%	0.121	28%	0.282	C	S	.	.	S	Bend	trans	-53.6	-46.2	-176.2	178.8	0	0	0	0	112	F203 P537	V115-F203 HydrophobicContact CB-CB 4.21Å; V115-F203 HydrophobicContact CB-CG 4.2Å; V115-F203 HydrophobicContact CG1-CB 3.82Å; V115-F203 HydrophobicContact CG1-CD2 3.84Å; V115-F203 HydrophobicContact CG1-CG 3.87Å; V115-P537 WeakPolarHBondContact O-CB 3.41Å
116	S	95.6	Very high	94.8	Very high	12 Å²	12	52.3 Å²	52.3	8%	0.084	29%	0.285	C	S	.	.	S	Bend	trans	-147.1	-179.5	169.8	59.7	0	0	0	0	109.6	P114 P118 N200 Q202 F203	P114-S116 VanDerWaalsContact C-N 3.29Å; P114-S116 PolarHBondContact O-N 2.89Å; S116-P118 WeakPolarHBondContact O-CD 3.33Å; S116-P118 VanDerWaalsContact O-N 3.11Å; S116-N200 PolarHBondContact O-ND2 3.26Å; S116-N200 WeakPolarHBondContact OG-CB 3.32Å; S116-Q202 PolarHBondContact OG-N 2.54Å; S116-F203 PolarHBondContact OG-N 2.89Å
117	T	96.5	Very high	94.9	Very high	83 Å²	83	55.6 Å²	55.6	51%	0.509	30%	0.3	S	S	.	.			trans	-53.1	113.9	-177.2	-44.8	0	0	0	0	111.7	N200 E201	T117-N200 CarbonylContact O-C 3.52Å; T117-N200 VanDerWaalsContact O-CA 3.23Å; T117-N200 WeakPolarHBondContact O-CA 3.36Å; T117-N200 WeakPolarHBondContact O-CB 3.33Å; T117-E201 PolarHBondContact O-N 2.87Å; T117-E201 PolarHBondContact OG1-OE2 2.92Å
118	P	97.3	Very high	95.1	Very high	27 Å²	27	51 Å²	51	18%	0.175	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-66.3	146.8	178.4	-20.3	33.4	0	0	0	112.2	P114 S116	P114-P118 HydrophobicContact CB-CG 3.75Å; P114-P118 HydrophobicContact CG-CG 3.78Å; S116-P118 WeakPolarHBondContact O-CD 3.33Å; S116-P118 VanDerWaalsContact O-N 3.11Å
119	I	98.1	Very high	95.3	Very high	20 Å²	20	50.9 Å²	50.9	10%	0.103	27%	0.266	C	S	.	.			trans	-95.3	129.6	172.1	-55.1	-53.5	0	0	0	108.9	Y90 L122 D140 Y199	Y90-I119 WeakPolarHBondContact CE1-O 3.19Å; Y90-I119 PolarHBondContact OH-O 3.25Å; I119-L122 HydrophobicContact CB-CD2 4.08Å; I119-L122 HydrophobicContact CG2-CD2 3.65Å; I119-D140 HydrophobicContact CG2-CB 3.97Å; I119-D140 WeakPolarHBondContact CG2-OD1 3.14Å; I119-Y199 HydrophobicContact CB-CD1 4.17Å; I119-Y199 HydrophobicContact CG1-CD1 3.84Å; I119-Y199 HydrophobicContact CG1-CE1 4.34Å; I119-Y199 PolarHBondContact N-O 3.14Å
120	E	97.7	Very high	95.7	Very high	102 Å²	102	49.3 Å²	49.3	48%	0.477	25%	0.25	S	S	.	.	S	Bend	trans	-83.4	-38.5	-171.5	-67.2	-59.2	150.4	0	0	113.4	Q104 R105	Q104-E120 PolarHBondContact NE2-O 2.65Å; R105-E120 WeakPolarHBondContact CB-O 3.42Å; R105-E120 PolarHBondContact N-O 3.18Å
121	E	98.1	Very high	96.1	Very high	74 Å²	74	48.5 Å²	48.5	35%	0.346	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.3	-179.6	-71.8	-174.5	90.1	0	0	110.8	L103 Q104 K141	L103-E121 WeakPolarHBondContact O-CA 3.47Å; Q104-E121 VanDerWaalsContact OE1-CG 3.27Å; E121-K141 HydrophobicContact CB-CB 3.96Å; E121-K141 HydrophobicContact CB-CD 3.82Å; E121-K141 HydrophobicContact CG-CD 4.5Å; E121-K141 WeakPolarHBondContact O-CB 3.33Å; E121-K141 PolarHBondContact O-N 2.84Å; E121-K141 VanDerWaalsContact O-N 3.09Å; E121-K141 IonicContact OE1-NZ 3.77Å; E121-K141 PolarHBondContact OE1-NZ 2.9Å
122	L	98.6	Very high	96.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155.8	174.3	-52.6	174.8	0	0	0	111	Y90 L103 I119 I138 V139 Y199	Y90-L122 HydrophobicContact CD1-CD1 3.77Å; Y90-L122 HydrophobicContact CD1-CG 4Å; Y90-L122 HydrophobicContact CD2-CD1 4.05Å; Y90-L122 HydrophobicContact CE1-CD1 3.49Å; Y90-L122 VanDerWaalsContact CE1-CD1 3.49Å; Y90-L122 HydrophobicContact CE1-CD2 4.44Å; Y90-L122 HydrophobicContact CE1-CG 3.55Å; Y90-L122 HydrophobicContact CE2-CD1 3.77Å; Y90-L122 HydrophobicContact CG-CD1 4.08Å; Y90-L122 VanDerWaalsContact CZ-CD1 3.49Å; L103-L122 HydrophobicContact CB-CB 4.22Å; L103-L122 PolarHBondContact N-O 3.17Å; L103-L122 PolarHBondContact O-N 2.68Å; I119-L122 HydrophobicContact CB-CD2 4.08Å; I119-L122 HydrophobicContact CG2-CD2 3.65Å; L122-I138 HydrophobicContact CB-CG2 4Å; L122-I138 HydrophobicContact CD1-CG2 3.79Å; L122-I138 HydrophobicContact CG-CG2 4.4Å; L122-V139 CarbonylContact C-O 3.54Å; L122-V139 VanDerWaalsContact CA-O 3.26Å; L122-V139 WeakPolarHBondContact CA-O 3.32Å; L122-Y199 HydrophobicContact CD1-CD2 3.86Å; L122-Y199 HydrophobicContact CD1-CG 3.87Å; L122-Y199 HydrophobicContact CD2-CD1 3.64Å; L122-Y199 HydrophobicContact CD2-CD2 3.95Å; L122-Y199 HydrophobicContact CD2-CE1 4.08Å; L122-Y199 HydrophobicContact CD2-CE2 4.35Å; L122-Y199 HydrophobicContact CD2-CG 3.58Å; L122-Y199 HydrophobicContact CG-CG 4.38Å
123	V	98.5	Very high	96.4	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.4	167.4	177.3	0	0	0	0	108	K100 L101 I102 T125 I138 V139 K141	K100-V123 HydrophobicContact CD-CG1 4.22Å; K100-V123 VanDerWaalsContact CE-CG1 3.42Å; K100-V123 HydrophobicContact CG-CG1 3.75Å; L101-V123 WeakPolarHBondContact O-CA 3.3Å; I102-V123 HydrophobicContact CD1-CG2 3.86Å; V123-T125 HydrophobicContact CG1-CG2 4.07Å; V123-I138 WeakPolarHBondContact O-CA 3.47Å; V123-V139 HydrophobicContact CB-CG2 3.92Å; V123-V139 PolarHBondContact N-O 3.31Å; V123-V139 PolarHBondContact O-N 2.84Å; V123-K141 HydrophobicContact CG2-CB 3.79Å; V123-K141 HydrophobicContact CG2-CD 4.29Å; V123-K141 HydrophobicContact CG2-CG 3.72Å
124	L	98.4	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.8	166	-177.2	159.4	0	0	0	108.9	K100 L101 L103 Y126 V136 K137 I138 L167 F178 F180	K100-L124 CarbonylContact C-O 3.49Å; K100-L124 WeakPolarHBondContact CA-O 3.37Å; L101-L124 HydrophobicContact CB-CB 4.34Å; L101-L124 HydrophobicContact CD1-CD2 4.18Å; L101-L124 HydrophobicContact CG-CD2 4.4Å; L101-L124 PolarHBondContact N-O 3.11Å; L101-L124 PolarHBondContact O-N 2.98Å; L103-L124 HydrophobicContact CD1-CB 4.25Å; L124-Y126 HydrophobicContact CD2-CD1 3.98Å; L124-V136 HydrophobicContact CD1-CG1 4.17Å; L124-V136 HydrophobicContact CD2-CG1 4.17Å; L124-V136 HydrophobicContact CG-CG1 4.06Å; L124-K137 CarbonylContact C-O 3.46Å; L124-K137 VanDerWaalsContact CA-O 3.29Å; L124-K137 WeakPolarHBondContact CA-O 3.46Å; L124-I138 HydrophobicContact CB-CG1 4.2Å; L124-I138 HydrophobicContact CD1-CD1 4.02Å; L124-I138 HydrophobicContact CD1-CG1 3.96Å; L124-I138 HydrophobicContact CG-CG1 3.98Å; L124-L167 HydrophobicContact CD2-CD1 4.07Å; L124-F178 HydrophobicContact CD1-CE1 3.69Å; L124-F178 HydrophobicContact CD1-CZ 3.96Å; L124-F180 HydrophobicContact CD1-CD1 4.11Å; L124-F180 HydrophobicContact CD1-CE1 4.04Å
125	T	98.5	Very high	96.9	Very high	46 Å²	46	38.7 Å²	38.7	28%	0.282	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	147.5	168.6	49.2	0	0	0	0	110.5	A99 K100 V123 V136 K137	A99-T125 VanDerWaalsContact O-CA 3.29Å; A99-T125 WeakPolarHBondContact O-CA 3.34Å; K100-T125 HydrophobicContact CB-CG2 4.24Å; K100-T125 HydrophobicContact CD-CG2 4.26Å; K100-T125 HydrophobicContact CG-CG2 3.84Å; V123-T125 HydrophobicContact CG1-CG2 4.07Å; T125-V136 WeakPolarHBondContact O-CA 3.48Å; T125-K137 PolarHBondContact N-O 2.75Å; T125-K137 PolarHBondContact O-N 3.41Å
126	Y	97.5	Very high	97.2	Very high	44 Å²	44	37.8 Å²	37.8	17%	0.173	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150	171.1	67.4	-85.2	0	0	0	111.7	A98 A99 L124 F128 H135 L167	A98-Y126 WeakPolarHBondContact O-CE1 3.37Å; A98-Y126 PolarHBondContact O-OH 3.42Å; A99-Y126 VanDerWaalsContact CA-CE1 3.43Å; A99-Y126 HydrophobicContact CB-CE1 4.31Å; A99-Y126 WeakPolarHBondContact CB-O 3.23Å; A99-Y126 PolarHBondContact O-N 2.7Å; A99-Y126 VanDerWaalsContact O-N 3.12Å; L124-Y126 HydrophobicContact CD2-CD1 3.98Å; Y126-F128 HydrophobicContact CD2-CE1 4.39Å; Y126-F128 AromaticContact CD2-CE2 3.83Å; Y126-F128 HydrophobicContact CD2-CE2 3.83Å; Y126-F128 AromaticContact CD2-CZ 3.73Å; Y126-F128 HydrophobicContact CD2-CZ 3.73Å; Y126-F128 AromaticContact CE2-CE2 3.78Å; Y126-F128 HydrophobicContact CE2-CE2 3.78Å; Y126-F128 HydrophobicContact CE2-CZ 4.02Å; Y126-H135 CarbonylContact C-O 3.46Å; Y126-H135 WeakPolarHBondContact CA-O 3.24Å; Y126-H135 WeakPolarHBondContact CB-O 3.3Å; Y126-L167 HydrophobicContact CD1-CB 4.49Å; Y126-L167 HydrophobicContact CD1-CD1 3.53Å; Y126-L167 HydrophobicContact CD2-CB 4.1Å; Y126-L167 HydrophobicContact CD2-CD1 4.18Å; Y126-L167 HydrophobicContact CE1-CB 4.43Å; Y126-L167 HydrophobicContact CE1-CD1 4.11Å; Y126-L167 HydrophobicContact CE2-CB 4.06Å; Y126-L167 HydrophobicContact CG-CB 4.32Å; Y126-L167 HydrophobicContact CG-CD1 3.56Å
127	E	96.4	Very high	97.3	Very high	108 Å²	108	38.7 Å²	38.7	51%	0.505	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.1	177.2	-176.8	166.8	-162.3	0	0	109.2	F129 H135	E127-F129 HydrophobicContact CG-CD1 4.29Å; E127-F129 HydrophobicContact CG-CE1 4.2Å; E127-H135 PolarHBondContact N-O 2.8Å; E127-H135 PolarHBondContact O-N 2.92Å
128	F	97.1	Very high	97.4	Very high	46 Å²	46	34.7 Å²	34.7	20%	0.202	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.8	172.1	-54.1	-55.6	0	0	0	106.9	Y126 D130 A134 H165 L167 I182	Y126-F128 HydrophobicContact CD2-CE1 4.39Å; Y126-F128 AromaticContact CD2-CE2 3.83Å; Y126-F128 HydrophobicContact CD2-CE2 3.83Å; Y126-F128 AromaticContact CD2-CZ 3.73Å; Y126-F128 HydrophobicContact CD2-CZ 3.73Å; Y126-F128 AromaticContact CE2-CE2 3.78Å; Y126-F128 HydrophobicContact CE2-CE2 3.78Å; Y126-F128 HydrophobicContact CE2-CZ 4.02Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-A134 HydrophobicContact CD1-CB 3.57Å; F128-A134 HydrophobicContact CE1-CB 3.83Å; F128-H165 HydrophobicContact CB-CB 4.4Å; F128-H165 HydrophobicContact CD1-CB 3.51Å; F128-H165 HydrophobicContact CD2-CB 4.2Å; F128-H165 HydrophobicContact CE1-CB 3.72Å; F128-H165 HydrophobicContact CE2-CB 4.37Å; F128-H165 WeakPolarHBondContact CE2-O 3.27Å; F128-H165 HydrophobicContact CG-CB 3.78Å; F128-H165 HydrophobicContact CZ-CB 4.16Å; F128-L167 HydrophobicContact CZ-CB 4.12Å; F128-I182 HydrophobicContact CE1-CD1 4.39Å; F128-I182 HydrophobicContact CE1-CG2 4.48Å
129	F	95.6	Very high	97.5	Very high	13 Å²	13	35 Å²	35	6%	0.057	17%	0.17	C	C	.	.			trans	-67.6	-40	-177.4	-62.7	-66.2	0	0	0	110.5	E127 I133 H135 W153 P158 P159 S160 G161 Y304	E127-F129 HydrophobicContact CG-CD1 4.29Å; E127-F129 HydrophobicContact CG-CE1 4.2Å; F129-I133 HydrophobicContact CD2-CB 4.13Å; F129-I133 HydrophobicContact CD2-CG2 3.82Å; F129-I133 HydrophobicContact CE2-CG2 4.34Å; F129-I133 PolarHBondContact N-O 2.95Å; F129-I133 VanDerWaalsContact N-O 3.08Å; F129-H135 HydrophobicContact CE2-CB 3.66Å; F129-H135 HydrophobicContact CZ-CB 4.06Å; F129-W153 HydrophobicContact CD2-CH2 4.29Å; F129-W153 AromaticContact CD2-CZ2 3.79Å; F129-W153 HydrophobicContact CD2-CZ2 3.79Å; F129-W153 HydrophobicContact CE1-CZ2 4.49Å; F129-W153 AromaticContact CE2-CZ2 3.69Å; F129-W153 HydrophobicContact CE2-CZ2 3.69Å; F129-W153 HydrophobicContact CG-CZ2 4.22Å; F129-W153 HydrophobicContact CZ-CZ2 4.07Å; F129-P158 HydrophobicContact CD1-CB 3.46Å; F129-P158 VanDerWaalsContact CD1-CB 3.46Å; F129-P158 HydrophobicContact CD1-CG 4.13Å; F129-P158 HydrophobicContact CE1-CB 3.6Å; F129-P158 HydrophobicContact CE1-CG 3.98Å; F129-P158 HydrophobicContact CG-CB 4.21Å; F129-P158 HydrophobicContact CZ-CB 4.42Å; F129-P159 CarbonylContact C-O 3.51Å; F129-P159 HydrophobicContact CB-CG 3.93Å; F129-P159 WeakPolarHBondContact CB-O 3.14Å; F129-P159 VanDerWaalsContact O-O 3.12Å; F129-S160 WeakPolarHBondContact O-CA 3.26Å; F129-G161 PolarHBondContact O-N 2.76Å; F129-Y304 HydrophobicContact CE2-CD1 4.28Å; F129-Y304 HydrophobicContact CE2-CE1 4.05Å; F129-Y304 HydrophobicContact CZ-CE1 4.41Å
130	D	95	Very high	97.5	Very high	25 Å²	25	35 Å²	35	13%	0.134	17%	0.171	C	C	.	.	S	Bend	trans	-162.4	-162.4	177.5	55.4	16.7	0	0	0	110.7	F128 E132 I133 P159 S163 H165	F128-D130 VanDerWaalsContact C-N 3.32Å; D130-E132 PolarHBondContact O-N 2.76Å; D130-E132 WeakPolarHBondContact OD1-CA 3.43Å; D130-E132 WeakPolarHBondContact OD1-CB 3.21Å; D130-E132 PolarHBondContact OD1-N 2.89Å; D130-I133 PolarHBondContact OD1-N 3.01Å; D130-P159 WeakPolarHBondContact OD2-CB 3.37Å; D130-P159 WeakPolarHBondContact OD2-CG 3.15Å; D130-S163 WeakPolarHBondContact O-CB 3.47Å; D130-S163 PolarHBondContact O-OG 2.92Å; D130-H165 PolarHBondContact O-ND1 3.08Å
131	D	94.9	Very high	97.5	Very high	75 Å²	75	34 Å²	34	40%	0.401	16%	0.164	S	C	.	.	S	Bend	trans	-73.2	2.2	172.9	-85.4	-38.7	0	0	0	113.6	S163 S164 H165	D131-S163 WeakPolarHBondContact OD1-CA 3.44Å; D131-S164 VanDerWaalsContact OD1-CB 3.26Å; D131-S164 WeakPolarHBondContact OD1-CB 3.46Å; D131-S164 PolarHBondContact OD1-N 3.42Å; D131-S164 PolarHBondContact OD1-OG 2.62Å; D131-H165 PolarHBondContact O-CE1 2.85Å; D131-H165 PolarHBondContact O-NE2 2.94Å
132	E	95.6	Very high	97.5	Very high	86 Å²	86	34.5 Å²	34.5	40%	0.402	18%	0.182	S	C	.	.	S	Bend	trans	-113.1	-42	-175.5	-61	-171.6	175.5	0	0	112.2	D130 S307 Q317	D130-E132 PolarHBondContact O-N 2.76Å; D130-E132 WeakPolarHBondContact OD1-CA 3.43Å; D130-E132 WeakPolarHBondContact OD1-CB 3.21Å; D130-E132 PolarHBondContact OD1-N 2.89Å; E132-S307 WeakPolarHBondContact O-CB 3.49Å; E132-S307 PolarHBondContact O-N 2.82Å; E132-S307 PolarHBondContact O-OG 3.43Å; E132-Q317 HydrophobicContact CB-CG 3.98Å; E132-Q317 WeakPolarHBondContact OE2-CG 3.43Å
133	I	97.3	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.4	-168.4	-49.4	-179.7	0	0	0	111.6	F129 D130 W153 I305 F306 Q317	F129-I133 HydrophobicContact CD2-CB 4.13Å; F129-I133 HydrophobicContact CD2-CG2 3.82Å; F129-I133 HydrophobicContact CE2-CG2 4.34Å; F129-I133 PolarHBondContact N-O 2.95Å; F129-I133 VanDerWaalsContact N-O 3.08Å; D130-I133 PolarHBondContact OD1-N 3.01Å; I133-W153 HydrophobicContact CD1-CH2 3.58Å; I133-W153 HydrophobicContact CD1-CZ3 4.02Å; I133-W153 HydrophobicContact CG2-CH2 4.3Å; I133-I305 WeakPolarHBondContact CA-O 3.25Å; I133-F306 HydrophobicContact CD1-CD1 4.25Å; I133-F306 HydrophobicContact CD1-CE1 4.27Å; I133-F306 HydrophobicContact CG1-CD1 4.03Å; I133-F306 HydrophobicContact CG1-CE1 4.42Å; I133-F306 HydrophobicContact CG2-CD1 4.19Å; I133-F306 HydrophobicContact CG2-CE1 4.09Å; I133-Q317 HydrophobicContact CD1-CB 4.24Å; I133-Q317 HydrophobicContact CG1-CB 4.28Å
134	A	98	Very high	97.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.7	171.6	0	0	0	0	0	110.9	F128 I182 Y304 I305	F128-A134 HydrophobicContact CD1-CB 3.57Å; F128-A134 HydrophobicContact CE1-CB 3.83Å; A134-I182 HydrophobicContact CB-CG2 4.06Å; A134-Y304 CarbonylContact O-C 3.35Å; A134-Y304 WeakPolarHBondContact O-CA 3.49Å; A134-I305 HydrophobicContact CB-CB 4.28Å; A134-I305 PolarHBondContact N-O 2.91Å; A134-I305 PolarHBondContact O-N 2.6Å
135	H	98.1	Very high	97.2	Very high	22 Å²	22	49.4 Å²	49.4	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.1	177.5	177.6	-132.8	0	0	0	110.2	Y126 E127 F129 D302 M303 Y304	Y126-H135 CarbonylContact C-O 3.46Å; Y126-H135 WeakPolarHBondContact CA-O 3.24Å; Y126-H135 WeakPolarHBondContact CB-O 3.3Å; E127-H135 PolarHBondContact N-O 2.8Å; E127-H135 PolarHBondContact O-N 2.92Å; F129-H135 HydrophobicContact CE2-CB 3.66Å; F129-H135 HydrophobicContact CZ-CB 4.06Å; H135-D302 IonicContact CD2-OD1 3.26Å; H135-D302 PolarHBondContact CD2-OD1 3.02Å; H135-D302 IonicContact CE1-OD1 2.7Å; H135-D302 IonicContact NE2-OD1 3.64Å; H135-D302 PolarHBondContact NE2-OD1 3.17Å; H135-M303 WeakPolarHBondContact CA-O 3.25Å; H135-M303 PolarHBondContact CD2-O 3.22Å; H135-M303 VanDerWaalsContact CD2-O 3.31Å; H135-Y304 HydrophobicContact CB-CD1 4.31Å; H135-Y304 HydrophobicContact CB-CE1 4.24Å; H135-Y304 AromaticContact CD2-CD1 3.94Å; H135-Y304 AromaticContact CD2-CE1 3.57Å; H135-Y304 AromaticContact CD2-CE2 3.8Å; H135-Y304 AromaticContact CD2-CZ 3.48Å; H135-Y304 VanDerWaalsContact CD2-CZ 3.48Å; H135-Y304 AromaticContact CG-CE1 3.96Å; H135-Y304 AromaticContact NE2-CE2 3.92Å; H135-Y304 AromaticContact NE2-CZ 3.6Å
136	V	98.6	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.2	174	-177.2	0	0	0	0	108.7	L124 T125 L167 F180 I182 M303 I305	L124-V136 HydrophobicContact CD1-CG1 4.17Å; L124-V136 HydrophobicContact CD2-CG1 4.17Å; L124-V136 HydrophobicContact CG-CG1 4.06Å; T125-V136 WeakPolarHBondContact O-CA 3.48Å; V136-L167 HydrophobicContact CG2-CD1 4.44Å; V136-F180 HydrophobicContact CG1-CE2 4.16Å; V136-F180 HydrophobicContact CG1-CZ 3.97Å; V136-F180 HydrophobicContact CG2-CE2 4.34Å; V136-I182 HydrophobicContact CG2-CD1 3.69Å; V136-I182 HydrophobicContact CG2-CG1 4.1Å; V136-M303 HydrophobicContact CB-CE 3.98Å; V136-M303 HydrophobicContact CG1-CE 3.78Å; V136-M303 PolarHBondContact N-O 3Å; V136-M303 WeakPolarHBondContact O-CB 3.48Å; V136-M303 PolarHBondContact O-N 2.91Å; V136-I305 HydrophobicContact CG2-CD1 4.14Å
137	K	98.7	Very high	97.2	Very high	31 Å²	31	51 Å²	51	14%	0.135	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.2	179.8	-164.2	-179.3	-165.5	158.8	0	110.9	L124 T125 V139 E147 L301 D302	L124-K137 CarbonylContact C-O 3.46Å; L124-K137 VanDerWaalsContact CA-O 3.29Å; L124-K137 WeakPolarHBondContact CA-O 3.46Å; T125-K137 PolarHBondContact N-O 2.75Å; T125-K137 PolarHBondContact O-N 3.41Å; K137-V139 HydrophobicContact CD-CG1 4.09Å; K137-V139 HydrophobicContact CG-CG1 3.95Å; K137-E147 VanDerWaalsContact NZ-CD 3.27Å; K137-E147 IonicContact NZ-OE1 2.71Å; K137-E147 IonicContact NZ-OE2 3.38Å; K137-E147 PolarHBondContact NZ-OE2 2.88Å; K137-L301 CarbonylContact C-O 3.59Å; K137-L301 VanDerWaalsContact CA-O 3.32Å; K137-L301 WeakPolarHBondContact CA-O 3.4Å; K137-D302 WeakPolarHBondContact CE-OD2 3.43Å; K137-D302 HydrophobicContact CG-CB 4.19Å; K137-D302 IonicContact NZ-OD2 3.6Å; K137-D302 PolarHBondContact NZ-OD2 2.89Å; K137-D302 VanDerWaalsContact NZ-OD2 3.09Å
138	I	98.8	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.5	175.7	-50.1	175.7	0	0	0	108.4	L122 V123 L124 F180 L197 Y199 I206 L301 M303	L122-I138 HydrophobicContact CB-CG2 4Å; L122-I138 HydrophobicContact CD1-CG2 3.79Å; L122-I138 HydrophobicContact CG-CG2 4.4Å; V123-I138 WeakPolarHBondContact O-CA 3.47Å; L124-I138 HydrophobicContact CB-CG1 4.2Å; L124-I138 HydrophobicContact CD1-CD1 4.02Å; L124-I138 HydrophobicContact CD1-CG1 3.96Å; L124-I138 HydrophobicContact CG-CG1 3.98Å; I138-F180 HydrophobicContact CD1-CE1 4.48Å; I138-L197 HydrophobicContact CD1-CD1 4.27Å; I138-Y199 HydrophobicContact CB-CE2 4.38Å; I138-Y199 HydrophobicContact CG2-CD2 4.1Å; I138-Y199 HydrophobicContact CG2-CE2 4.03Å; I138-Y199 WeakPolarHBondContact O-CE2 3.5Å; I138-Y199 PolarHBondContact O-OH 2.73Å; I138-I206 HydrophobicContact CD1-CD1 4.27Å; I138-L301 HydrophobicContact CB-CB 4.15Å; I138-L301 HydrophobicContact CB-CD1 4.45Å; I138-L301 HydrophobicContact CD1-CD1 4.19Å; I138-L301 PolarHBondContact N-O 3.01Å; I138-L301 PolarHBondContact O-N 3.03Å; I138-M303 HydrophobicContact CD1-CE 4.34Å; I138-M303 HydrophobicContact CG1-CE 4.45Å
139	V	98.6	Very high	97.3	Very high	33 Å²	33	46.6 Å²	46.6	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.3	-176.6	-56.9	0	0	0	0	111.9	L122 V123 K137 V300	L122-V139 CarbonylContact C-O 3.54Å; L122-V139 VanDerWaalsContact CA-O 3.26Å; L122-V139 WeakPolarHBondContact CA-O 3.32Å; V123-V139 HydrophobicContact CB-CG2 3.92Å; V123-V139 PolarHBondContact N-O 3.31Å; V123-V139 PolarHBondContact O-N 2.84Å; K137-V139 HydrophobicContact CD-CG1 4.09Å; K137-V139 HydrophobicContact CG-CG1 3.95Å; V139-V300 HydrophobicContact CB-CG1 4.43Å; V139-V300 HydrophobicContact CG1-CB 4.17Å; V139-V300 HydrophobicContact CG1-CG1 3.85Å
140	D	98.4	Very high	97.2	Very high	20 Å²	20	48.1 Å²	48.1	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.9	167.4	-179.1	-8.5	0	0	0	109.8	I119 A142 R145	I119-D140 HydrophobicContact CG2-CB 3.97Å; I119-D140 WeakPolarHBondContact CG2-OD1 3.14Å; D140-A142 WeakPolarHBondContact OD1-CB 3.26Å; D140-A142 PolarHBondContact OD1-N 2.83Å; D140-R145 HydrophobicContact CB-CG 4.31Å
141	K	97.9	Very high	97	Very high	80 Å²	80	51.9 Å²	51.9	35%	0.348	29%	0.288	S	S	.	.	S	Bend	trans	-72.6	-32	178.8	-172.2	178.6	176	-173	0	112.8	I102 E121 V123	I102-K141 HydrophobicContact CD1-CD 4.35Å; I102-K141 HydrophobicContact CG2-CD 4.16Å; E121-K141 HydrophobicContact CB-CB 3.96Å; E121-K141 HydrophobicContact CB-CD 3.82Å; E121-K141 HydrophobicContact CG-CD 4.5Å; E121-K141 WeakPolarHBondContact O-CB 3.33Å; E121-K141 PolarHBondContact O-N 2.84Å; E121-K141 VanDerWaalsContact O-N 3.09Å; E121-K141 IonicContact OE1-NZ 3.77Å; E121-K141 PolarHBondContact OE1-NZ 2.9Å; V123-K141 HydrophobicContact CG2-CB 3.79Å; V123-K141 HydrophobicContact CG2-CD 4.29Å; V123-K141 HydrophobicContact CG2-CG 3.72Å
142	A	97.1	Very high	97	Very high	86 Å²	86	49.4 Å²	49.4	71%	0.711	27%	0.274	S	S	*	.	S	Bend	trans	-86.1	-33.1	-170.5	0	0	0	0	0	112.9	D140	D140-A142 WeakPolarHBondContact OD1-CB 3.26Å; D140-A142 PolarHBondContact OD1-N 2.83Å
143	Q	95.6	Very high	97	Very high	142 Å²	142	46.9 Å²	46.9	66%	0.664	26%	0.261	S	S	*	.	S	Bend	trans	-139	138.8	-173.5	-61	-173.4	0.6	0	0	111.9
144	S	96.5	Very high	96.7	Very high	130 Å²	130	48.8 Å²	48.8	91%	0.909	27%	0.273	S	S	*	.			trans	-65.2	138.8	167.4	-61.3	0	0	0	0	110.2
145	R	96.9	Very high	96.1	Very high	50 Å²	50	54.4 Å²	54.4	19%	0.189	30%	0.304	C	S	.	.			trans	-116.1	168.2	178.5	-66.3	-174.4	56.5	141.8	8.5	109.9	D140 N200 E201 G299 V300	D140-R145 HydrophobicContact CB-CG 4.31Å; R145-N200 PolarHBondContact NH1-O 3.06Å; R145-E201 PolarHBondContact NH1-O 2.85Å; R145-E201 PolarHBondContact NH2-O 3.17Å; R145-G299 VanDerWaalsContact CZ-O 3.25Å; R145-G299 PolarHBondContact NE-O 2.81Å; R145-G299 PolarHBondContact NH2-O 3.36Å; R145-V300 HydrophobicContact CB-CG1 4.07Å
146	Y	98	Very high	95.4	Very high	33 Å²	33	55.6 Å²	55.6	13%	0.129	32%	0.321	C	S	.	.			trans	-56.8	138.8	171	171	-101.7	0	0	0	110.6	P149 S279 G299 Y567 D571 V572 L575	Y146-P149 VanDerWaalsContact OH-CD 3.24Å; Y146-P149 WeakPolarHBondContact OH-CD 3.41Å; Y146-S279 WeakPolarHBondContact CE1-OG 3.44Å; Y146-S279 PolarHBondContact OH-OG 2.81Å; Y146-G299 VanDerWaalsContact O-CA 3.26Å; Y146-G299 WeakPolarHBondContact O-CA 3.1Å; Y146-Y567 AromaticContact CD2-CD1 3.99Å; Y146-Y567 HydrophobicContact CD2-CD1 3.99Å; Y146-Y567 HydrophobicContact CD2-CE1 4.28Å; Y146-Y567 AromaticContact CE2-CD1 3.82Å; Y146-Y567 HydrophobicContact CE2-CD1 3.82Å; Y146-Y567 HydrophobicContact CE2-CE1 4.07Å; Y146-D571 HydrophobicContact CD1-CB 3.72Å; Y146-D571 HydrophobicContact CD2-CB 3.74Å; Y146-D571 HydrophobicContact CE1-CB 3.74Å; Y146-D571 HydrophobicContact CE2-CB 3.74Å; Y146-D571 HydrophobicContact CG-CB 3.72Å; Y146-D571 PolarHBondContact OH-O 3.46Å; Y146-V572 HydrophobicContact CE2-CG1 3.96Å; Y146-L575 WeakPolarHBondContact OH-CD1 3.47Å
147	E	98.3	Very high	94.8	Very high	91 Å²	91	63.9 Å²	63.9	43%	0.425	36%	0.36	S	S	.	.			trans	-136.1	149.3	171	-60.9	-175.9	-155.5	0	0	107.6	K137 P149 V300	K137-E147 VanDerWaalsContact NZ-CD 3.27Å; K137-E147 IonicContact NZ-OE1 2.71Å; K137-E147 IonicContact NZ-OE2 3.38Å; K137-E147 PolarHBondContact NZ-OE2 2.88Å; E147-P149 WeakPolarHBondContact O-CD 3.17Å; E147-V300 HydrophobicContact CG-CG1 4.29Å; E147-V300 HydrophobicContact CG-CG2 4.08Å
148	V	98.4	Very high	94.4	Very high	13 Å²	13	64.3 Å²	64.3	8%	0.079	37%	0.366	C	S	.	.			trans	-58.7	120.2	-176.9	175.3	0	0	0	0	109.6	F150 W277 L575 F604	V148-F150 HydrophobicContact CG1-CB 4.21Å; V148-F150 HydrophobicContact CG1-CD2 4.16Å; V148-F150 PolarHBondContact O-N 3.41Å; V148-W277 HydrophobicContact CB-CD2 4.43Å; V148-W277 HydrophobicContact CB-CZ2 4.11Å; V148-W277 HydrophobicContact CG1-CD2 4.46Å; V148-W277 HydrophobicContact CG1-CH2 4.1Å; V148-W277 HydrophobicContact CG1-CZ2 3.43Å; V148-W277 VanDerWaalsContact CG1-CZ2 3.43Å; V148-L575 HydrophobicContact CG1-CD1 3.97Å; V148-L575 HydrophobicContact CG1-CD2 4.1Å; V148-F604 HydrophobicContact CG1-CE1 4.4Å
149	P	96.9	Very high	93.9	Very high	48 Å²	48	66.3 Å²	66.3	31%	0.312	38%	0.379	S	S	.	.			trans	-83	38.8	-172.6	36.2	-39.5	0	0	0	112.8	Y146 E147 F471 Y567 L575	Y146-P149 VanDerWaalsContact OH-CD 3.24Å; Y146-P149 WeakPolarHBondContact OH-CD 3.41Å; E147-P149 WeakPolarHBondContact O-CD 3.17Å; P149-F471 HydrophobicContact CG-CD1 4.39Å; P149-F471 HydrophobicContact CG-CE1 3.85Å; P149-Y567 HydrophobicContact CB-CE1 4.38Å; P149-Y567 WeakPolarHBondContact CB-OH 3.04Å; P149-Y567 HydrophobicContact CG-CE1 4.39Å; P149-Y567 HydrophobicContact CG-CE2 4.42Å; P149-L575 HydrophobicContact CG-CD1 4.32Å
150	F	94.9	Very high	93.4	Very high	46 Å²	46	70.9 Å²	70.9	20%	0.202	41%	0.412	C	S	.	.	S	Bend	trans	-122.4	132.7	174.9	-76.5	-89.6	0	0	0	109.6	V148 W277 F471 L575 L578	V148-F150 HydrophobicContact CG1-CB 4.21Å; V148-F150 HydrophobicContact CG1-CD2 4.16Å; V148-F150 PolarHBondContact O-N 3.41Å; F150-W277 HydrophobicContact CB-CH2 4.48Å; F150-W277 HydrophobicContact CB-CZ2 4.03Å; F150-F471 AromaticContact CE2-CE1 3.92Å; F150-F471 HydrophobicContact CE2-CE1 3.92Å; F150-F471 HydrophobicContact CE2-CZ 4.3Å; F150-F471 HydrophobicContact CZ-CE1 4.35Å; F150-L575 HydrophobicContact CD2-CD1 4.19Å; F150-L575 HydrophobicContact CD2-CD2 4.36Å; F150-L575 HydrophobicContact CE2-CB 4.17Å; F150-L575 HydrophobicContact CE2-CD1 4.14Å; F150-L575 HydrophobicContact CE2-CD2 4.41Å; F150-L575 HydrophobicContact CE2-CG 4.49Å; F150-L578 HydrophobicContact CD1-CD2 3.93Å; F150-L578 HydrophobicContact CD1-CG 4.4Å; F150-L578 HydrophobicContact CD2-CD2 4.09Å; F150-L578 HydrophobicContact CE1-CD2 3.84Å; F150-L578 HydrophobicContact CE1-CG 3.84Å; F150-L578 HydrophobicContact CE2-CD2 4.01Å; F150-L578 HydrophobicContact CE2-CG 4.38Å; F150-L578 HydrophobicContact CG-CD2 4.05Å; F150-L578 HydrophobicContact CZ-CD2 3.88Å; F150-L578 HydrophobicContact CZ-CG 3.83Å
151	S	90.2	Very high	92.9	Very high	104 Å²	104	71.8 Å²	71.8	73%	0.727	43%	0.427	S	S	*	.			trans	-73.4	133.5	176.3	-54.6	0	0	0	0	110.7
152	L	95.3	Very high	92.5	Very high	22 Å²	22	74 Å²	74	12%	0.115	45%	0.447	C	S	.	.	S	Bend	trans	-86.3	169.2	165.3	-61.6	172.7	0	0	0	109.4	W277 Y304 L321 I322	L152-W277 HydrophobicContact CD1-CD2 4.1Å; L152-W277 HydrophobicContact CD1-CG 4.18Å; L152-W277 HydrophobicContact CD2-CD2 4.18Å; L152-W277 HydrophobicContact CD2-CE3 4.19Å; L152-W277 HydrophobicContact CD2-CH2 3.67Å; L152-W277 HydrophobicContact CD2-CZ2 3.63Å; L152-W277 HydrophobicContact CD2-CZ3 3.96Å; L152-W277 HydrophobicContact CG-CD2 4.45Å; L152-W277 HydrophobicContact CG-CZ2 4.06Å; L152-Y304 HydrophobicContact CD1-CD2 4.38Å; L152-Y304 HydrophobicContact CD1-CE1 4.23Å; L152-Y304 HydrophobicContact CD1-CE2 3.54Å; L152-Y304 VanDerWaalsContact CD1-CZ 3.45Å; L152-Y304 WeakPolarHBondContact CD1-OH 3.17Å; L152-L321 HydrophobicContact CB-CD1 3.93Å; L152-L321 HydrophobicContact CB-CG 4.3Å; L152-L321 HydrophobicContact CD1-CD1 3.97Å; L152-L321 HydrophobicContact CD1-CD2 4.26Å; L152-L321 HydrophobicContact CD1-CG 4.16Å; L152-L321 HydrophobicContact CD2-CG 4.24Å; L152-L321 HydrophobicContact CG-CD1 4.41Å; L152-L321 HydrophobicContact CG-CG 4.46Å; L152-I322 HydrophobicContact CD2-CG2 4.29Å
153	W	95.4	Very high	92.3	Very high	33 Å²	33	71.8 Å²	71.8	13%	0.125	43%	0.426	C	S	.	.			trans	60.5	55.1	-173.9	-45	103.1	0	0	0	113.1	F129 I133 D155 G156 P158 P159 L321	F129-W153 HydrophobicContact CD2-CH2 4.29Å; F129-W153 AromaticContact CD2-CZ2 3.79Å; F129-W153 HydrophobicContact CD2-CZ2 3.79Å; F129-W153 HydrophobicContact CE1-CZ2 4.49Å; F129-W153 AromaticContact CE2-CZ2 3.69Å; F129-W153 HydrophobicContact CE2-CZ2 3.69Å; F129-W153 HydrophobicContact CG-CZ2 4.22Å; F129-W153 HydrophobicContact CZ-CZ2 4.07Å; I133-W153 HydrophobicContact CD1-CH2 3.58Å; I133-W153 HydrophobicContact CD1-CZ3 4.02Å; I133-W153 HydrophobicContact CG2-CH2 4.3Å; W153-D155 PolarHBondContact O-N 2.77Å; W153-G156 VanDerWaalsContact CB-O 3.29Å; W153-G156 WeakPolarHBondContact CB-O 3.47Å; W153-G156 PolarHBondContact O-N 2.82Å; W153-P158 HydrophobicContact CD2-CB 3.99Å; W153-P158 HydrophobicContact CG-CB 4.28Å; W153-P158 HydrophobicContact CZ2-CB 3.94Å; W153-P159 VanDerWaalsContact CH2-CD 3.47Å; W153-P159 HydrophobicContact CH2-CG 4.1Å; W153-P159 HydrophobicContact CZ3-CG 4.15Å; W153-L321 HydrophobicContact CD2-CD1 3.88Å; W153-L321 HydrophobicContact CE3-CD1 4.32Å; W153-L321 HydrophobicContact CH2-CB 4.44Å; W153-L321 HydrophobicContact CH2-CD1 3.83Å; W153-L321 HydrophobicContact CZ2-CD1 3.3Å; W153-L321 HydrophobicContact CZ3-CB 4.41Å; W153-L321 HydrophobicContact CZ3-CD1 4.29Å; W153-L321 PolarHBondContact N-O 3.34Å
154	P	90.6	Very high	92.1	Very high	40 Å²	40	66.5 Å²	66.5	26%	0.26	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.6	-175.8	26.2	-34.1	0	0	0	114.3	G156 L321	P154-G156 VanDerWaalsContact C-N 3.34Å; P154-L321 WeakPolarHBondContact CD-O 3.49Å
155	D	84.1	Confident	92.1	Very high	119 Å²	119	60.7 Å²	60.7	64%	0.636	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	0.3	178.5	-65.2	-26.6	0	0	0	113.3	W153	W153-D155 PolarHBondContact O-N 2.77Å
156	G	83.9	Confident	92	Very high	46 Å²	46	64.7 Å²	64.7	47%	0.474	38%	0.379	S	S	.	.	S	Bend	trans	146.6	-143.8	175.4	0	0	0	0	0	114.4	W153 P154	W153-G156 VanDerWaalsContact CB-O 3.29Å; W153-G156 WeakPolarHBondContact CB-O 3.47Å; W153-G156 PolarHBondContact O-N 2.82Å; P154-G156 VanDerWaalsContact C-N 3.34Å
157	E	86.5	Confident	91.9	Very high	174 Å²	174	63.9 Å²	63.9	81%	0.813	38%	0.377	S	S	*	.	S	Bend	trans	-79.8	152.9	175.8	-65	-64.5	156.1	0	0	110.5
158	P	89.4	Confident	91.7	Very high	40 Å²	40	61.7 Å²	61.7	26%	0.26	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-53.9	151.5	170.4	22.6	-33.3	0	0	0	111.2	F129 W153	F129-P158 HydrophobicContact CD1-CB 3.46Å; F129-P158 VanDerWaalsContact CD1-CB 3.46Å; F129-P158 HydrophobicContact CD1-CG 4.13Å; F129-P158 HydrophobicContact CE1-CB 3.6Å; F129-P158 HydrophobicContact CE1-CG 3.98Å; F129-P158 HydrophobicContact CG-CB 4.21Å; F129-P158 HydrophobicContact CZ-CB 4.42Å; W153-P158 HydrophobicContact CD2-CB 3.99Å; W153-P158 HydrophobicContact CG-CB 4.28Å; W153-P158 HydrophobicContact CZ2-CB 3.94Å
159	P	88.5	Confident	91.3	Very high	43 Å²	43	63.6 Å²	63.6	28%	0.279	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-58.3	146.8	173.5	22.7	-27.3	0	0	0	110.2	F129 D130 W153	F129-P159 CarbonylContact C-O 3.51Å; F129-P159 HydrophobicContact CB-CG 3.93Å; F129-P159 WeakPolarHBondContact CB-O 3.14Å; F129-P159 VanDerWaalsContact O-O 3.12Å; D130-P159 WeakPolarHBondContact OD2-CB 3.37Å; D130-P159 WeakPolarHBondContact OD2-CG 3.15Å; W153-P159 VanDerWaalsContact CH2-CD 3.47Å; W153-P159 HydrophobicContact CH2-CG 4.1Å; W153-P159 HydrophobicContact CZ3-CG 4.15Å
160	S	87.9	Confident	90.1	Very high	128 Å²	128	64.3 Å²	64.3	90%	0.895	38%	0.38	S	S	*	.			trans	-129.9	98.6	177.4	-170	0	0	0	0	108.8	F129	F129-S160 WeakPolarHBondContact O-CA 3.26Å
161	G	88.3	Confident	88.3	Confident	40 Å²	40	64.9 Å²	64.9	41%	0.412	40%	0.398	S	S	.	.			trans	-133.6	167.7	-177.4	0	0	0	0	0	112.4	F129	F129-G161 PolarHBondContact O-N 2.76Å
162	T	89.4	Confident	86.5	Confident	125 Å²	125	67.2 Å²	67.2	77%	0.767	39%	0.392	S	S	*	.			trans	-67.4	137.1	163.7	48.9	0	0	0	0	108.7
163	S	92.8	Very high	84.2	Confident	40 Å²	40	73.2 Å²	73.2	28%	0.28	43%	0.425	S	S	.	.			trans	-120.4	137.8	176.1	-171.2	0	0	0	0	110.8	D130 D131 H165	D130-S163 WeakPolarHBondContact O-CB 3.47Å; D130-S163 PolarHBondContact O-OG 2.92Å; D131-S163 WeakPolarHBondContact OD1-CA 3.44Å; S163-H165 VanDerWaalsContact C-N 3.32Å; S163-H165 VanDerWaalsContact OG-CB 3.24Å; S163-H165 WeakPolarHBondContact OG-CB 3.36Å; S163-H165 VanDerWaalsContact OG-CG 3.31Å; S163-H165 PolarHBondContact OG-N 3.03Å; S163-H165 VanDerWaalsContact OG-N 3.14Å; S163-H165 PolarHBondContact OG-ND1 3.3Å
164	S	92.2	Very high	82.1	Confident	32 Å²	32	79.3 Å²	79.3	22%	0.224	46%	0.458	C	S	.	.			trans	-87.6	-7.8	169.8	65.3	0	0	0	0	111.9	D131	D131-S164 VanDerWaalsContact OD1-CB 3.26Å; D131-S164 WeakPolarHBondContact OD1-CB 3.46Å; D131-S164 PolarHBondContact OD1-N 3.42Å; D131-S164 PolarHBondContact OD1-OG 2.62Å
165	H	96	Very high	80.9	Confident	7 Å²	7	79.5 Å²	79.5	3%	0.032	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	146.2	174.5	-62.9	145.4	0	0	0	112.7	F128 D130 D131 S163 L183 S307	F128-H165 HydrophobicContact CB-CB 4.4Å; F128-H165 HydrophobicContact CD1-CB 3.51Å; F128-H165 HydrophobicContact CD2-CB 4.2Å; F128-H165 HydrophobicContact CE1-CB 3.72Å; F128-H165 HydrophobicContact CE2-CB 4.37Å; F128-H165 WeakPolarHBondContact CE2-O 3.27Å; F128-H165 HydrophobicContact CG-CB 3.78Å; F128-H165 HydrophobicContact CZ-CB 4.16Å; D130-H165 PolarHBondContact O-ND1 3.08Å; D131-H165 PolarHBondContact O-CE1 2.85Å; D131-H165 PolarHBondContact O-NE2 2.94Å; S163-H165 VanDerWaalsContact C-N 3.32Å; S163-H165 VanDerWaalsContact OG-CB 3.24Å; S163-H165 WeakPolarHBondContact OG-CB 3.36Å; S163-H165 VanDerWaalsContact OG-CG 3.31Å; S163-H165 PolarHBondContact OG-N 3.03Å; S163-H165 VanDerWaalsContact OG-N 3.14Å; S163-H165 PolarHBondContact OG-ND1 3.3Å; H165-L183 VanDerWaalsContact CA-O 3.25Å; H165-L183 WeakPolarHBondContact CA-O 3.06Å; H165-S307 PolarHBondContact CE1-OG 3.08Å; H165-S307 PolarHBondContact NE2-OG 3.22Å
166	R	94.8	Very high	80.6	Confident	134 Å²	134	75.9 Å²	75.9	51%	0.506	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.1	176.8	-62.1	178.7	-125.3	167.1	0.9	110.6	L183	R166-L183 PolarHBondContact N-O 3.3Å; R166-L183 PolarHBondContact O-N 3.19Å
167	L	95.5	Very high	80.8	Confident	17 Å²	17	75.1 Å²	75.1	9%	0.089	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.4	166	-166.6	158.2	0	0	0	107.6	L124 Y126 F128 V136 F169 F180 E181 I182	L124-L167 HydrophobicContact CD2-CD1 4.07Å; Y126-L167 HydrophobicContact CD1-CB 4.49Å; Y126-L167 HydrophobicContact CD1-CD1 3.53Å; Y126-L167 HydrophobicContact CD2-CB 4.1Å; Y126-L167 HydrophobicContact CD2-CD1 4.18Å; Y126-L167 HydrophobicContact CE1-CB 4.43Å; Y126-L167 HydrophobicContact CE1-CD1 4.11Å; Y126-L167 HydrophobicContact CE2-CB 4.06Å; Y126-L167 HydrophobicContact CG-CB 4.32Å; Y126-L167 HydrophobicContact CG-CD1 3.56Å; F128-L167 HydrophobicContact CZ-CB 4.12Å; V136-L167 HydrophobicContact CG2-CD1 4.44Å; L167-F169 HydrophobicContact CD2-CB 4.09Å; L167-F169 HydrophobicContact CD2-CD1 3.37Å; L167-F169 HydrophobicContact CD2-CE1 4.17Å; L167-F169 HydrophobicContact CD2-CG 4.14Å; L167-F180 HydrophobicContact CD1-CD2 4.19Å; L167-F180 HydrophobicContact CD2-CB 3.84Å; L167-F180 HydrophobicContact CD2-CG 4.48Å; L167-F180 HydrophobicContact CG-CB 4.35Å; L167-F180 HydrophobicContact CG-CD2 4.18Å; L167-E181 WeakPolarHBondContact CA-O 3.1Å; L167-I182 HydrophobicContact CB-CD1 3.92Å; L167-I182 HydrophobicContact CD1-CD1 3.82Å; L167-I182 HydrophobicContact CG-CD1 3.75Å
168	S	93.8	Very high	81.1	Confident	45 Å²	45	67.1 Å²	67.1	32%	0.315	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.1	170.8	-177.7	0	0	0	0	108.9	F180 E181	S168-F180 CarbonylContact O-C 3.51Å; S168-F180 WeakPolarHBondContact O-CA 3.45Å; S168-F180 WeakPolarHBondContact O-CB 3.48Å; S168-E181 PolarHBondContact N-O 2.96Å; S168-E181 PolarHBondContact O-N 2.99Å
169	F	90.5	Very high	81.4	Confident	52 Å²	52	65.9 Å²	65.9	23%	0.228	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.3	177.5	56.6	-85	0	0	0	111.1	L92 L101 L167 G171 F178 V179 F180	L92-F169 HydrophobicContact CD2-CD2 4.02Å; L92-F169 HydrophobicContact CD2-CE2 3.56Å; L101-F169 HydrophobicContact CD1-CD1 4.41Å; L101-F169 HydrophobicContact CD1-CE1 4.3Å; L101-F169 HydrophobicContact CD1-CZ 4.46Å; L101-F169 HydrophobicContact CD2-CZ 4.46Å; L167-F169 HydrophobicContact CD2-CB 4.09Å; L167-F169 HydrophobicContact CD2-CD1 3.37Å; L167-F169 HydrophobicContact CD2-CE1 4.17Å; L167-F169 HydrophobicContact CD2-CG 4.14Å; F169-G171 PolarHBondContact O-N 3.22Å; F169-F178 HydrophobicContact CB-CD2 4.44Å; F169-F178 HydrophobicContact CB-CE2 3.67Å; F169-F178 HydrophobicContact CB-CZ 4.16Å; F169-F178 AromaticContact CD2-CE2 3.96Å; F169-F178 HydrophobicContact CD2-CE2 3.96Å; F169-F178 AromaticContact CG-CE2 3.94Å; F169-F178 HydrophobicContact CG-CE2 3.94Å; F169-V179 VanDerWaalsContact CA-O 3.26Å; F169-V179 WeakPolarHBondContact CA-O 3.38Å; F169-V179 WeakPolarHBondContact CB-O 3.43Å; F169-F180 HydrophobicContact CB-CB 3.99Å
170	N	72.2	Confident	81.7	Confident	64 Å²	64	64 Å²	64	34%	0.342	38%	0.376	S	S	.	.			trans	61.5	31.7	179.2	-59.4	-20	0	0	0	115.5	Y172 V179	N170-Y172 VanDerWaalsContact C-N 3.32Å; N170-Y172 PolarHBondContact O-N 3.48Å; N170-V179 PolarHBondContact N-O 2.92Å; N170-V179 VanDerWaalsContact N-O 3.16Å
171	G	57.9	Low	82.1	Confident	57 Å²	57	59.4 Å²	59.4	59%	0.588	34%	0.341	S	S	*	.			trans	-72.3	-12.2	177.5	0	0	0	0	0	116.3	F169	F169-G171 PolarHBondContact O-N 3.22Å
172	Y	50.8	Low	82.6	Confident	153 Å²	153	57.5 Å²	57.5	60%	0.6	32%	0.321	S	S	*	.	S	Bend	trans	-129	81.2	-174.9	-56.4	-82.6	0	0	0	110.7	N170 I174	N170-Y172 VanDerWaalsContact C-N 3.32Å; N170-Y172 PolarHBondContact O-N 3.48Å; Y172-I174 VanDerWaalsContact C-N 3.31Å; Y172-I174 PolarHBondContact O-N 2.82Å
173	N	47.5	Very low	82.9	Confident	148 Å²	148	52.5 Å²	52.5	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	53.7	-165.8	-157.8	14.8	0	0	0	114.9
174	I	52.3	Low	83	Confident	162 Å²	162	52.3 Å²	52.3	83%	0.831	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-36.3	178.7	-54.4	179.1	0	0	0	112.8	Y172	Y172-I174 VanDerWaalsContact C-N 3.31Å; Y172-I174 PolarHBondContact O-N 2.82Å
175	S	64	Low	82.9	Confident	44 Å²	44	57.4 Å²	57.4	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-119.6	-3.7	-172.8	65.6	0	0	0	0	116.6	T86 K177	T86-S175 PolarHBondContact O-OG 2.93Å; S175-K177 PolarHBondContact O-N 3.32Å; S175-K177 VanDerWaalsContact OG-CB 3.25Å; S175-K177 WeakPolarHBondContact OG-CB 3.42Å
176	G	78.3	Confident	82.6	Confident	42 Å²	42	63.1 Å²	63.1	43%	0.433	33%	0.332	S	S	.	.			trans	71.8	0.7	-171.7	0	0	0	0	0	114.5	A91	A91-G176 VanDerWaalsContact CB-O 3.24Å; A91-G176 WeakPolarHBondContact CB-O 3.33Å
177	K	88.6	Confident	82.6	Confident	31 Å²	31	58.2 Å²	58.2	14%	0.135	31%	0.314	C	S	.	.			trans	-65.6	133.5	173.1	-178.1	177.7	67.1	-165.9	0	111	T86 Y88 Y90 L106 S175 V179	T86-K177 WeakPolarHBondContact O-CD 3.41Å; T86-K177 WeakPolarHBondContact O-CE 3.44Å; T86-K177 PolarHBondContact O-NZ 3.2Å; Y88-K177 WeakPolarHBondContact O-CD 3.24Å; Y90-K177 CarbonylContact O-C 3.46Å; Y90-K177 WeakPolarHBondContact O-CA 3.48Å; L106-K177 HydrophobicContact CD1-CB 4.18Å; S175-K177 PolarHBondContact O-N 3.32Å; S175-K177 VanDerWaalsContact OG-CB 3.25Å; S175-K177 WeakPolarHBondContact OG-CB 3.42Å; K177-V179 HydrophobicContact CG-CG1 4.38Å
178	F	93.3	Very high	82.5	Confident	5 Å²	5	59.9 Å²	59.9	2%	0.022	33%	0.326	C	S	.	.			trans	-75.5	123.7	172.2	-178.7	-101.3	0	0	0	110	Y90 L92 L101 L103 L124 F169 F180	Y90-F178 WeakPolarHBondContact O-CB 3.29Å; Y90-F178 PolarHBondContact O-N 2.84Å; L92-F178 HydrophobicContact CB-CD2 4.01Å; L92-F178 HydrophobicContact CD1-CE2 4.49Å; L101-F178 HydrophobicContact CD1-CE2 3.96Å; L101-F178 HydrophobicContact CD1-CZ 3.87Å; L103-F178 HydrophobicContact CD1-CD1 3.7Å; L103-F178 HydrophobicContact CD1-CE1 3.87Å; L103-F178 HydrophobicContact CD1-CG 4.42Å; L103-F178 HydrophobicContact CD2-CB 4.22Å; L103-F178 HydrophobicContact CD2-CD1 3.67Å; L103-F178 HydrophobicContact CD2-CD2 3.79Å; L103-F178 HydrophobicContact CD2-CE1 3.9Å; L103-F178 HydrophobicContact CD2-CE2 4.01Å; L103-F178 HydrophobicContact CD2-CG 3.6Å; L103-F178 HydrophobicContact CD2-CZ 4.06Å; L103-F178 HydrophobicContact CG-CD1 4.35Å; L124-F178 HydrophobicContact CD1-CE1 3.69Å; L124-F178 HydrophobicContact CD1-CZ 3.96Å; F169-F178 HydrophobicContact CB-CD2 4.44Å; F169-F178 HydrophobicContact CB-CE2 3.67Å; F169-F178 HydrophobicContact CB-CZ 4.16Å; F169-F178 AromaticContact CD2-CE2 3.96Å; F169-F178 HydrophobicContact CD2-CE2 3.96Å; F169-F178 AromaticContact CG-CE2 3.94Å; F169-F178 HydrophobicContact CG-CE2 3.94Å; F178-F180 HydrophobicContact CE1-CB 4.32Å; F178-F180 AromaticContact CE1-CD1 3.73Å; F178-F180 HydrophobicContact CE1-CD1 3.73Å; F178-F180 HydrophobicContact CE1-CG 4.43Å; F178-F180 HydrophobicContact CZ-CB 4.08Å; F178-F180 HydrophobicContact CZ-CD1 4.26Å
179	V	94.2	Very high	82.6	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.091	31%	0.313	C	S	.	.			trans	-138.3	148.6	168.7	-62.9	0	0	0	0	107.3	F169 N170 K177 T192	F169-V179 VanDerWaalsContact CA-O 3.26Å; F169-V179 WeakPolarHBondContact CA-O 3.38Å; F169-V179 WeakPolarHBondContact CB-O 3.43Å; N170-V179 PolarHBondContact N-O 2.92Å; N170-V179 VanDerWaalsContact N-O 3.16Å; K177-V179 HydrophobicContact CG-CG1 4.38Å; V179-T192 WeakPolarHBondContact CG1-O 3.34Å
180	F	95.6	Very high	83	Confident	4 Å²	4	56 Å²	56	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.2	178.8	74.9	-86.9	0	0	0	112.9	L124 V136 I138 L167 S168 F169 F178 I182 F190 T192 I206 M303	L124-F180 HydrophobicContact CD1-CD1 4.11Å; L124-F180 HydrophobicContact CD1-CE1 4.04Å; V136-F180 HydrophobicContact CG1-CE2 4.16Å; V136-F180 HydrophobicContact CG1-CZ 3.97Å; V136-F180 HydrophobicContact CG2-CE2 4.34Å; I138-F180 HydrophobicContact CD1-CE1 4.48Å; L167-F180 HydrophobicContact CD1-CD2 4.19Å; L167-F180 HydrophobicContact CD2-CB 3.84Å; L167-F180 HydrophobicContact CD2-CG 4.48Å; L167-F180 HydrophobicContact CG-CB 4.35Å; L167-F180 HydrophobicContact CG-CD2 4.18Å; S168-F180 CarbonylContact O-C 3.51Å; S168-F180 WeakPolarHBondContact O-CA 3.45Å; S168-F180 WeakPolarHBondContact O-CB 3.48Å; F169-F180 HydrophobicContact CB-CB 3.99Å; F178-F180 HydrophobicContact CE1-CB 4.32Å; F178-F180 AromaticContact CE1-CD1 3.73Å; F178-F180 HydrophobicContact CE1-CD1 3.73Å; F178-F180 HydrophobicContact CE1-CG 4.43Å; F178-F180 HydrophobicContact CZ-CB 4.08Å; F178-F180 HydrophobicContact CZ-CD1 4.26Å; F180-I182 HydrophobicContact CD2-CD1 4.23Å; F180-I182 HydrophobicContact CD2-CG1 4.36Å; F180-I182 HydrophobicContact CE2-CD1 4.29Å; F180-I182 HydrophobicContact CE2-CG1 4.16Å; F180-F190 AromaticContact CE2-CD1 3.85Å; F180-F190 HydrophobicContact CE2-CD1 3.85Å; F180-F190 HydrophobicContact CE2-CE1 4.2Å; F180-F190 HydrophobicContact CZ-CD1 4.03Å; F180-F190 AromaticContact CZ-CE1 3.88Å; F180-F190 HydrophobicContact CZ-CE1 3.88Å; F180-T192 HydrophobicContact CD1-CG2 4.06Å; F180-T192 WeakPolarHBondContact CD1-OG1 3.14Å; F180-T192 HydrophobicContact CE1-CG2 3.64Å; F180-T192 HydrophobicContact CE2-CG2 4.33Å; F180-T192 HydrophobicContact CZ-CG2 3.78Å; F180-T192 PolarHBondContact N-OG1 3.46Å; F180-T192 PolarHBondContact O-N 3.33Å; F180-T192 PolarHBondContact O-OG1 2.76Å; F180-I206 HydrophobicContact CE1-CD1 4.1Å; F180-I206 HydrophobicContact CZ-CD1 4.23Å; F180-M303 HydrophobicContact CZ-CE 4.35Å
181	E	96.4	Very high	84.1	Confident	31 Å²	31	53.9 Å²	53.9	15%	0.145	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.9	175.6	-67.4	171.6	135.5	0	0	109.2	L167 S168 L183 F190 N191	L167-E181 WeakPolarHBondContact CA-O 3.1Å; S168-E181 PolarHBondContact N-O 2.96Å; S168-E181 PolarHBondContact O-N 2.99Å; E181-L183 HydrophobicContact CB-CD2 4.41Å; E181-L183 HydrophobicContact CB-CG 4.36Å; E181-F190 CarbonylContact C-O 3.53Å; E181-F190 WeakPolarHBondContact CA-O 3.26Å; E181-N191 HydrophobicContact CG-CB 4.09Å; E181-N191 WeakPolarHBondContact CG-OD1 3.4Å; E181-N191 PolarHBondContact OE1-ND2 3.4Å; E181-N191 PolarHBondContact OE1-OD1 2.85Å
182	I	97.4	Very high	85.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.5	164.2	-56.6	-58.6	0	0	0	107.6	F128 A134 V136 L167 F180 L189 F190 I305	F128-I182 HydrophobicContact CE1-CD1 4.39Å; F128-I182 HydrophobicContact CE1-CG2 4.48Å; A134-I182 HydrophobicContact CB-CG2 4.06Å; V136-I182 HydrophobicContact CG2-CD1 3.69Å; V136-I182 HydrophobicContact CG2-CG1 4.1Å; L167-I182 HydrophobicContact CB-CD1 3.92Å; L167-I182 HydrophobicContact CD1-CD1 3.82Å; L167-I182 HydrophobicContact CG-CD1 3.75Å; F180-I182 HydrophobicContact CD2-CD1 4.23Å; F180-I182 HydrophobicContact CD2-CG1 4.36Å; F180-I182 HydrophobicContact CE2-CD1 4.29Å; F180-I182 HydrophobicContact CE2-CG1 4.16Å; I182-L189 HydrophobicContact CG2-CB 4.39Å; I182-L189 HydrophobicContact CG2-CD1 4.29Å; I182-L189 PolarHBondContact O-N 3.06Å; I182-F190 HydrophobicContact CB-CB 4.26Å; I182-F190 HydrophobicContact CG1-CB 4.33Å; I182-F190 PolarHBondContact N-O 2.81Å; I182-F190 PolarHBondContact O-N 3.21Å; I182-I305 HydrophobicContact CG1-CD1 4.48Å
183	L	96.4	Very high	87.9	Confident	19 Å²	19	45.9 Å²	45.9	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.4	-173.9	-62.7	168.6	0	0	0	110.8	H165 R166 E181 R187 P188	H165-L183 VanDerWaalsContact CA-O 3.25Å; H165-L183 WeakPolarHBondContact CA-O 3.06Å; R166-L183 PolarHBondContact N-O 3.3Å; R166-L183 PolarHBondContact O-N 3.19Å; E181-L183 HydrophobicContact CB-CD2 4.41Å; E181-L183 HydrophobicContact CB-CG 4.36Å; L183-R187 CarbonylContact C-O 3.56Å; L183-R187 VanDerWaalsContact CA-O 3.32Å; L183-R187 WeakPolarHBondContact CA-O 3.22Å; L183-P188 HydrophobicContact CD2-CB 4.21Å
184	D	94.9	Very high	90.1	Very high	36 Å²	36	39.8 Å²	39.8	19%	0.193	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.6	161.6	171.1	25.6	0	0	0	109	Q186 R187 L189	D184-Q186 PolarHBondContact O-N 3.3Å; D184-R187 PolarHBondContact N-O 2.92Å; D184-R187 WeakPolarHBondContact O-CA 3.18Å; D184-R187 VanDerWaalsContact O-CB 3.24Å; D184-R187 WeakPolarHBondContact O-CB 3.46Å; D184-R187 PolarHBondContact O-N 2.76Å; D184-L189 HydrophobicContact CB-CD1 3.94Å; D184-L189 HydrophobicContact CB-CD2 4.18Å; D184-L189 HydrophobicContact CB-CG 4.13Å
185	Q	90.3	Very high	92	Very high	139 Å²	139	32.3 Å²	32.3	65%	0.65	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	34.7	178.5	-59.9	179.8	11.6	0	0	115.3
186	Q	89.9	Confident	93.4	Very high	127 Å²	127	30.4 Å²	30.4	59%	0.593	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	-9.3	-173.6	-51.7	-62.2	-30.8	0	0	116.8	D184 P188	D184-Q186 PolarHBondContact O-N 3.3Å; Q186-P188 WeakPolarHBondContact O-CD 3.48Å
187	R	94.1	Very high	94.2	Very high	32 Å²	32	29.2 Å²	29.2	12%	0.121	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.4	169.6	179.4	179.7	169.5	-122.8	-4.1	109.6	L183 D184 L189 E266 A271 S307	L183-R187 CarbonylContact C-O 3.56Å; L183-R187 VanDerWaalsContact CA-O 3.32Å; L183-R187 WeakPolarHBondContact CA-O 3.22Å; D184-R187 PolarHBondContact N-O 2.92Å; D184-R187 WeakPolarHBondContact O-CA 3.18Å; D184-R187 VanDerWaalsContact O-CB 3.24Å; D184-R187 WeakPolarHBondContact O-CB 3.46Å; D184-R187 PolarHBondContact O-N 2.76Å; R187-L189 HydrophobicContact CG-CD2 4.43Å; R187-L189 PolarHBondContact O-N 2.67Å; R187-E266 IonicContact CZ-OE1 3.77Å; R187-E266 VanDerWaalsContact CZ-OE1 3.3Å; R187-E266 IonicContact CZ-OE2 2.69Å; R187-E266 VanDerWaalsContact NE-CD 3.35Å; R187-E266 IonicContact NE-OE1 3.64Å; R187-E266 PolarHBondContact NE-OE1 3.42Å; R187-E266 IonicContact NE-OE2 2.76Å; R187-E266 PolarHBondContact NE-OE2 3.19Å; R187-E266 IonicContact NH2-OE1 3.15Å; R187-E266 PolarHBondContact NH2-OE1 2.85Å; R187-E266 IonicContact NH2-OE2 3.85Å; R187-A271 PolarHBondContact NH2-O 2.87Å; R187-S307 PolarHBondContact NH1-O 3.36Å
188	P	94.1	Very high	94.7	Very high	52 Å²	52	27.9 Å²	27.9	34%	0.338	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.6	174.8	29.7	-32.8	0	0	0	111	L183 Q186	L183-P188 HydrophobicContact CD2-CB 4.21Å; Q186-P188 WeakPolarHBondContact O-CD 3.48Å
189	L	96.4	Very high	94.9	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-36.7	174.5	-57.9	-175.4	0	0	0	111.7	I182 D184 R187 C272 I305 S307	I182-L189 HydrophobicContact CG2-CB 4.39Å; I182-L189 HydrophobicContact CG2-CD1 4.29Å; I182-L189 PolarHBondContact O-N 3.06Å; D184-L189 HydrophobicContact CB-CD1 3.94Å; D184-L189 HydrophobicContact CB-CD2 4.18Å; D184-L189 HydrophobicContact CB-CG 4.13Å; R187-L189 HydrophobicContact CG-CD2 4.43Å; R187-L189 PolarHBondContact O-N 2.67Å; L189-C272 HydrophobicContact CD2-CB 4.31Å; L189-C272 PolarHBondContact O-SG 3Å; L189-I305 HydrophobicContact CB-CG2 3.78Å; L189-I305 HydrophobicContact CD1-CG2 4.18Å; L189-S307 VanDerWaalsContact CD1-OG 3.22Å; L189-S307 WeakPolarHBondContact CD1-OG 3.47Å
190	F	97.6	Very high	95	Very high	3 Å²	3	27 Å²	27	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	126.1	177.2	-169.4	-101.9	0	0	0	109.1	F180 E181 I182 T192 I206 T208 V274 F276 M303 I305	F180-F190 AromaticContact CE2-CD1 3.85Å; F180-F190 HydrophobicContact CE2-CD1 3.85Å; F180-F190 HydrophobicContact CE2-CE1 4.2Å; F180-F190 HydrophobicContact CZ-CD1 4.03Å; F180-F190 AromaticContact CZ-CE1 3.88Å; F180-F190 HydrophobicContact CZ-CE1 3.88Å; E181-F190 CarbonylContact C-O 3.53Å; E181-F190 WeakPolarHBondContact CA-O 3.26Å; I182-F190 HydrophobicContact CB-CB 4.26Å; I182-F190 HydrophobicContact CG1-CB 4.33Å; I182-F190 PolarHBondContact N-O 2.81Å; I182-F190 PolarHBondContact O-N 3.21Å; F190-T192 HydrophobicContact CD1-CG2 3.82Å; F190-T192 HydrophobicContact CE1-CG2 3.31Å; F190-T192 HydrophobicContact CZ-CG2 4.21Å; F190-I206 HydrophobicContact CE1-CD1 4.07Å; F190-I206 HydrophobicContact CZ-CD1 4.32Å; F190-T208 HydrophobicContact CD2-CG2 4.17Å; F190-T208 HydrophobicContact CE2-CG2 3.75Å; F190-T208 HydrophobicContact CZ-CG2 4.42Å; F190-V274 HydrophobicContact CD2-CG2 4.12Å; F190-V274 HydrophobicContact CE2-CG1 4.44Å; F190-F276 HydrophobicContact CE2-CZ 4.35Å; F190-F276 HydrophobicContact CZ-CZ 4.21Å; F190-M303 HydrophobicContact CE1-SD 3.89Å; F190-M303 HydrophobicContact CZ-SD 3.79Å; F190-I305 HydrophobicContact CB-CG1 4.33Å
191	N	96.2	Very high	95.1	Very high	21 Å²	21	29.9 Å²	29.9	11%	0.112	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	101.9	-169.5	-176.2	-10.8	0	0	0	112.4	E181 S193 T208 Y209	E181-N191 HydrophobicContact CG-CB 4.09Å; E181-N191 WeakPolarHBondContact CG-OD1 3.4Å; E181-N191 PolarHBondContact OE1-ND2 3.4Å; E181-N191 PolarHBondContact OE1-OD1 2.85Å; N191-S193 VanDerWaalsContact C-N 3.31Å; N191-S193 PolarHBondContact ND2-OG 2.95Å; N191-S193 PolarHBondContact O-N 2.84Å; N191-S193 WeakPolarHBondContact OD1-CB 3.42Å; N191-S193 PolarHBondContact OD1-N 2.86Å; N191-S193 PolarHBondContact OD1-OG 2.8Å; N191-T208 PolarHBondContact N-OG1 2.96Å; N191-T208 CarbonylContact O-C 3.58Å; N191-T208 WeakPolarHBondContact O-CA 3.34Å; N191-T208 PolarHBondContact O-OG1 2.93Å; N191-Y209 PolarHBondContact O-N 2.89Å
192	T	96	Very high	95.1	Very high	10 Å²	10	28.9 Å²	28.9	6%	0.061	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-87.5	10.5	-177.8	64	0	0	0	0	114.7	V179 F180 F190 I194 G195 I206 A207	V179-T192 WeakPolarHBondContact CG1-O 3.34Å; F180-T192 HydrophobicContact CD1-CG2 4.06Å; F180-T192 WeakPolarHBondContact CD1-OG1 3.14Å; F180-T192 HydrophobicContact CE1-CG2 3.64Å; F180-T192 HydrophobicContact CE2-CG2 4.33Å; F180-T192 HydrophobicContact CZ-CG2 3.78Å; F180-T192 PolarHBondContact N-OG1 3.46Å; F180-T192 PolarHBondContact O-N 3.33Å; F180-T192 PolarHBondContact O-OG1 2.76Å; F190-T192 HydrophobicContact CD1-CG2 3.82Å; F190-T192 HydrophobicContact CE1-CG2 3.31Å; F190-T192 HydrophobicContact CZ-CG2 4.21Å; T192-I194 PolarHBondContact O-N 2.83Å; T192-I194 VanDerWaalsContact O-N 3.16Å; T192-G195 PolarHBondContact O-N 2.72Å; T192-I206 HydrophobicContact CG2-CD1 3.85Å; T192-I206 HydrophobicContact CG2-CG1 3.98Å; T192-A207 WeakPolarHBondContact CA-O 3.43Å
193	S	93	Very high	95.2	Very high	32 Å²	32	28.9 Å²	28.9	22%	0.224	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-62.7	-20.8	-177.4	60.4	0	0	0	0	114.3	N191 G195 Y209	N191-S193 VanDerWaalsContact C-N 3.31Å; N191-S193 PolarHBondContact ND2-OG 2.95Å; N191-S193 PolarHBondContact O-N 2.84Å; N191-S193 WeakPolarHBondContact OD1-CB 3.42Å; N191-S193 PolarHBondContact OD1-N 2.86Å; N191-S193 PolarHBondContact OD1-OG 2.8Å; S193-G195 PolarHBondContact O-N 2.7Å; S193-Y209 WeakPolarHBondContact OG-CD2 3.36Å; S193-Y209 VanDerWaalsContact OG-CE2 3.31Å; S193-Y209 WeakPolarHBondContact OG-CE2 3.39Å
194	I	92.5	Very high	95.3	Very high	20 Å²	20	28 Å²	28	10%	0.103	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-57.4	-25.8	169.2	-165.5	171.1	0	0	0	112.2	V50 T192 A207 Y209	V50-I194 HydrophobicContact CG2-CD1 4.08Å; V50-I194 HydrophobicContact CG2-CG1 3.95Å; T192-I194 PolarHBondContact O-N 2.83Å; T192-I194 VanDerWaalsContact O-N 3.16Å; I194-A207 HydrophobicContact CG2-CB 3.57Å; I194-Y209 HydrophobicContact CB-CD1 4.45Å; I194-Y209 HydrophobicContact CB-CD2 4.08Å; I194-Y209 HydrophobicContact CB-CE1 4.01Å; I194-Y209 HydrophobicContact CB-CE2 3.65Å; I194-Y209 HydrophobicContact CB-CG 4.46Å; I194-Y209 HydrophobicContact CD1-CD1 4.32Å; I194-Y209 HydrophobicContact CD1-CE1 3.84Å; I194-Y209 HydrophobicContact CG1-CE1 4.01Å; I194-Y209 HydrophobicContact CG1-CE2 4.41Å
195	G	92.3	Very high	95.4	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	13%	0.134	C	C	.	.			trans	88.5	-150	-178.6	0	0	0	0	0	112.8	T192 S193 L197 A207	T192-G195 PolarHBondContact O-N 2.72Å; S193-G195 PolarHBondContact O-N 2.7Å; G195-L197 PolarHBondContact O-N 3.22Å; G195-A207 WeakPolarHBondContact O-CB 3.37Å
196	G	93.1	Very high	95.8	Very high	4 Å²	4	19.8 Å²	19.8	4%	0.041	10%	0.104	C	C	.	.			trans	78.8	14	177.6	0	0	0	0	0	115.7	V198 Q205	G196-V198 PolarHBondContact O-N 3.08Å; G196-Q205 PolarHBondContact O-NE2 2.71Å
197	L	96.7	Very high	96.2	Very high	17 Å²	17	13.8 Å²	13.8	9%	0.089	8%	0.076	C	C	.	.			trans	-67.5	113.2	170.1	178.4	62.8	0	0	0	110	Y90 L103 I138 G195 Q205 I206 L301	Y90-L197 HydrophobicContact CD2-CD2 3.94Å; Y90-L197 HydrophobicContact CD2-CG 4Å; Y90-L197 HydrophobicContact CE2-CG 4.46Å; Y90-L197 HydrophobicContact CG-CD2 4.45Å; L103-L197 HydrophobicContact CD1-CD2 4.39Å; I138-L197 HydrophobicContact CD1-CD1 4.27Å; G195-L197 PolarHBondContact O-N 3.22Å; L197-Q205 WeakPolarHBondContact CA-O 3.36Å; L197-I206 HydrophobicContact CD1-CB 4.44Å; L197-I206 HydrophobicContact CD1-CD1 4.47Å; L197-I206 HydrophobicContact CD1-CG1 4.45Å; L197-L301 HydrophobicContact CD1-CD1 3.85Å
198	V	97.4	Very high	96.4	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.018	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	174.2	-175	0	0	0	0	108.4	Y84 Y88 G196 N200 F203 L204 Q205	Y84-V198 HydrophobicContact CD1-CG2 4.44Å; Y84-V198 HydrophobicContact CE1-CG2 3.59Å; Y84-V198 HydrophobicContact CE2-CG2 4.29Å; Y88-V198 HydrophobicContact CD1-CG2 4.27Å; Y88-V198 HydrophobicContact CE1-CG2 3.83Å; G196-V198 PolarHBondContact O-N 3.08Å; V198-N200 WeakPolarHBondContact CG1-OD1 2.98Å; V198-F203 HydrophobicContact CB-CD1 4.29Å; V198-F203 HydrophobicContact CB-CE1 4.18Å; V198-F203 HydrophobicContact CG1-CD1 3.83Å; V198-F203 HydrophobicContact CG1-CE1 4.09Å; V198-L204 CarbonylContact O-C 3.59Å; V198-L204 WeakPolarHBondContact O-CA 3.44Å; V198-Q205 HydrophobicContact CB-CB 4.15Å; V198-Q205 PolarHBondContact N-O 3.33Å; V198-Q205 PolarHBondContact O-N 2.87Å
199	Y	98.2	Very high	96.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	98.3	-178.8	-152.6	-64.8	0	0	0	109.1	Y90 I119 L122 I138 L204 V300 L301	Y90-Y199 WeakPolarHBondContact OH-CB 3.28Å; Y90-Y199 PolarHBondContact OH-O 3.47Å; I119-Y199 HydrophobicContact CB-CD1 4.17Å; I119-Y199 HydrophobicContact CG1-CD1 3.84Å; I119-Y199 HydrophobicContact CG1-CE1 4.34Å; I119-Y199 PolarHBondContact N-O 3.14Å; L122-Y199 HydrophobicContact CD1-CD2 3.86Å; L122-Y199 HydrophobicContact CD1-CG 3.87Å; L122-Y199 HydrophobicContact CD2-CD1 3.64Å; L122-Y199 HydrophobicContact CD2-CD2 3.95Å; L122-Y199 HydrophobicContact CD2-CE1 4.08Å; L122-Y199 HydrophobicContact CD2-CE2 4.35Å; L122-Y199 HydrophobicContact CD2-CG 3.58Å; L122-Y199 HydrophobicContact CG-CG 4.38Å; I138-Y199 HydrophobicContact CB-CE2 4.38Å; I138-Y199 HydrophobicContact CG2-CD2 4.1Å; I138-Y199 HydrophobicContact CG2-CE2 4.03Å; I138-Y199 WeakPolarHBondContact O-CE2 3.5Å; I138-Y199 PolarHBondContact O-OH 2.73Å; Y199-L204 HydrophobicContact CD1-CD2 4.46Å; Y199-L204 HydrophobicContact CD1-CG 4.19Å; Y199-L204 HydrophobicContact CD2-CD2 4.22Å; Y199-L204 HydrophobicContact CD2-CG 4.26Å; Y199-L204 HydrophobicContact CE1-CD2 3.92Å; Y199-L204 HydrophobicContact CE1-CG 4.11Å; Y199-L204 HydrophobicContact CE2-CD2 3.66Å; Y199-L204 HydrophobicContact CE2-CG 4.19Å; Y199-L204 HydrophobicContact CG-CG 4.26Å; Y199-L204 VanDerWaalsContact CZ-CD2 3.47Å; Y199-V300 WeakPolarHBondContact OH-CA 3.49Å; Y199-L301 HydrophobicContact CD2-CD1 4.1Å; Y199-L301 HydrophobicContact CD2-CG 4.39Å; Y199-L301 HydrophobicContact CE2-CD1 4.27Å; Y199-L301 HydrophobicContact CE2-CG 4.12Å
200	N	97.4	Very high	96.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	174.1	177.4	-59.2	14.8	0	0	0	109.4	S116 T117 R145 V198 Q202 F203 L204	S116-N200 PolarHBondContact O-ND2 3.26Å; S116-N200 WeakPolarHBondContact OG-CB 3.32Å; T117-N200 CarbonylContact O-C 3.52Å; T117-N200 VanDerWaalsContact O-CA 3.23Å; T117-N200 WeakPolarHBondContact O-CA 3.36Å; T117-N200 WeakPolarHBondContact O-CB 3.33Å; R145-N200 PolarHBondContact NH1-O 3.06Å; V198-N200 WeakPolarHBondContact CG1-OD1 2.98Å; N200-Q202 VanDerWaalsContact C-N 3.35Å; N200-Q202 PolarHBondContact O-N 2.79Å; N200-F203 HydrophobicContact CB-CB 4.32Å; N200-F203 WeakPolarHBondContact CB-O 3.33Å; N200-F203 PolarHBondContact N-O 2.83Å; N200-L204 WeakPolarHBondContact O-CD1 3.1Å
201	E	96.7	Very high	96.3	Very high	66 Å²	66	15.4 Å²	15.4	31%	0.308	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-45.2	179.6	-173.3	-170.5	169.2	0	0	112.2	T117 R145 K532	T117-E201 PolarHBondContact O-N 2.87Å; T117-E201 PolarHBondContact OG1-OE2 2.92Å; R145-E201 PolarHBondContact NH1-O 2.85Å; R145-E201 PolarHBondContact NH2-O 3.17Å; E201-K532 IonicContact OE1-NZ 3.75Å; E201-K532 PolarHBondContact OE1-NZ 3.03Å
202	Q	97.4	Very high	96.2	Very high	10 Å²	10	15 Å²	15	5%	0.047	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	27.1	-178.2	-61.8	-171.5	-95.7	0	0	113.6	S116 N200 I297 K532 Y570	S116-Q202 PolarHBondContact OG-N 2.54Å; N200-Q202 VanDerWaalsContact C-N 3.35Å; N200-Q202 PolarHBondContact O-N 2.79Å; Q202-I297 CarbonylContact C-O 3.5Å; Q202-I297 WeakPolarHBondContact CA-O 3.14Å; Q202-K532 PolarHBondContact NE2-O 2.76Å; Q202-Y570 PolarHBondContact NE2-OH 3.41Å; Q202-Y570 VanDerWaalsContact NE2-OH 3.16Å
203	F	98	Very high	96.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	106.9	174.9	-174.4	-90.2	0	0	0	109.8	P54 V115 S116 V198 N200 Q205 R295 Y538	P54-F203 HydrophobicContact CG-CE2 4.14Å; P54-F203 HydrophobicContact CG-CZ 4.18Å; V115-F203 HydrophobicContact CB-CB 4.21Å; V115-F203 HydrophobicContact CB-CG 4.2Å; V115-F203 HydrophobicContact CG1-CB 3.82Å; V115-F203 HydrophobicContact CG1-CD2 3.84Å; V115-F203 HydrophobicContact CG1-CG 3.87Å; S116-F203 PolarHBondContact OG-N 2.89Å; V198-F203 HydrophobicContact CB-CD1 4.29Å; V198-F203 HydrophobicContact CB-CE1 4.18Å; V198-F203 HydrophobicContact CG1-CD1 3.83Å; V198-F203 HydrophobicContact CG1-CE1 4.09Å; N200-F203 HydrophobicContact CB-CB 4.32Å; N200-F203 WeakPolarHBondContact CB-O 3.33Å; N200-F203 PolarHBondContact N-O 2.83Å; F203-Q205 HydrophobicContact CE1-CB 3.97Å; F203-Q205 HydrophobicContact CZ-CB 4.44Å; F203-R295 HydrophobicContact CZ-CG 4.38Å; F203-Y538 AromaticContact CD2-CD1 3.54Å; F203-Y538 HydrophobicContact CD2-CD1 3.54Å; F203-Y538 HydrophobicContact CD2-CD2 4.36Å; F203-Y538 HydrophobicContact CD2-CE1 4.22Å; F203-Y538 AromaticContact CD2-CG 3.62Å; F203-Y538 HydrophobicContact CD2-CG 3.62Å; F203-Y538 AromaticContact CE2-CD1 3.65Å; F203-Y538 HydrophobicContact CE2-CD1 3.65Å; F203-Y538 HydrophobicContact CE2-CD2 4.16Å; F203-Y538 AromaticContact CE2-CE1 3.87Å; F203-Y538 HydrophobicContact CE2-CE1 3.87Å; F203-Y538 HydrophobicContact CE2-CE2 4.41Å; F203-Y538 AromaticContact CE2-CG 3.8Å; F203-Y538 HydrophobicContact CE2-CG 3.8Å
204	L	98.6	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139	175.1	-66.3	68	0	0	0	107.5	V198 Y199 N200 R295 T296 L301	V198-L204 CarbonylContact O-C 3.59Å; V198-L204 WeakPolarHBondContact O-CA 3.44Å; Y199-L204 HydrophobicContact CD1-CD2 4.46Å; Y199-L204 HydrophobicContact CD1-CG 4.19Å; Y199-L204 HydrophobicContact CD2-CD2 4.22Å; Y199-L204 HydrophobicContact CD2-CG 4.26Å; Y199-L204 HydrophobicContact CE1-CD2 3.92Å; Y199-L204 HydrophobicContact CE1-CG 4.11Å; Y199-L204 HydrophobicContact CE2-CD2 3.66Å; Y199-L204 HydrophobicContact CE2-CG 4.19Å; Y199-L204 HydrophobicContact CG-CG 4.26Å; Y199-L204 VanDerWaalsContact CZ-CD2 3.47Å; N200-L204 WeakPolarHBondContact O-CD1 3.1Å; L204-R295 VanDerWaalsContact O-CA 3.27Å; L204-R295 WeakPolarHBondContact O-CA 3.33Å; L204-T296 HydrophobicContact CB-CG2 3.79Å; L204-T296 HydrophobicContact CD2-CG2 4.26Å; L204-T296 HydrophobicContact CG-CG2 4.46Å; L204-T296 PolarHBondContact N-O 3.18Å; L204-T296 PolarHBondContact O-N 3.33Å; L204-L301 HydrophobicContact CB-CD2 4.08Å; L204-L301 HydrophobicContact CB-CG 4.4Å; L204-L301 HydrophobicContact CD2-CD2 4.47Å; L204-L301 HydrophobicContact CD2-CG 4.24Å
205	Q	98.5	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.2	179.4	-174.7	-177.2	-90.8	0	0	110.8	G196 L197 V198 F203 V293 Y294 R295	G196-Q205 PolarHBondContact O-NE2 2.71Å; L197-Q205 WeakPolarHBondContact CA-O 3.36Å; V198-Q205 HydrophobicContact CB-CB 4.15Å; V198-Q205 PolarHBondContact N-O 3.33Å; V198-Q205 PolarHBondContact O-N 2.87Å; F203-Q205 HydrophobicContact CE1-CB 3.97Å; F203-Q205 HydrophobicContact CZ-CB 4.44Å; Q205-V293 HydrophobicContact CG-CG1 3.54Å; Q205-Y294 VanDerWaalsContact CA-O 3.24Å; Q205-Y294 WeakPolarHBondContact CA-O 3.41Å; Q205-Y294 WeakPolarHBondContact CG-O 3.45Å; Q205-R295 HydrophobicContact CB-CG 4.19Å; Q205-R295 HydrophobicContact CG-CG 3.85Å
206	I	98.3	Very high	97	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.015	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.2	165.8	-167.9	166.9	0	0	0	108.7	I138 F180 F190 T192 L197 F276 Y294 L301 M303	I138-I206 HydrophobicContact CD1-CD1 4.27Å; F180-I206 HydrophobicContact CE1-CD1 4.1Å; F180-I206 HydrophobicContact CZ-CD1 4.23Å; F190-I206 HydrophobicContact CE1-CD1 4.07Å; F190-I206 HydrophobicContact CZ-CD1 4.32Å; T192-I206 HydrophobicContact CG2-CD1 3.85Å; T192-I206 HydrophobicContact CG2-CG1 3.98Å; L197-I206 HydrophobicContact CD1-CB 4.44Å; L197-I206 HydrophobicContact CD1-CD1 4.47Å; L197-I206 HydrophobicContact CD1-CG1 4.45Å; I206-F276 HydrophobicContact CG2-CE1 3.54Å; I206-F276 HydrophobicContact CG2-CZ 3.67Å; I206-Y294 HydrophobicContact CG2-CD1 4.22Å; I206-Y294 PolarHBondContact N-O 3.09Å; I206-Y294 PolarHBondContact O-N 2.93Å; I206-L301 HydrophobicContact CB-CD1 4.13Å; I206-L301 HydrophobicContact CG2-CD1 4.38Å; I206-L301 HydrophobicContact CG2-CD2 4.25Å; I206-M303 HydrophobicContact CD1-CE 4.13Å; I206-M303 HydrophobicContact CD1-SD 4.04Å; I206-M303 HydrophobicContact CG2-SD 4.46Å
207	A	97.6	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151	177.9	0	0	0	0	0	110.5	V50 T192 I194 G195 L292 V293	V50-A207 HydrophobicContact CG1-CB 4.44Å; V50-A207 HydrophobicContact CG2-CB 4.01Å; T192-A207 WeakPolarHBondContact CA-O 3.43Å; I194-A207 HydrophobicContact CG2-CB 3.57Å; G195-A207 WeakPolarHBondContact O-CB 3.37Å; A207-L292 CarbonylContact C-O 3.59Å; A207-L292 VanDerWaalsContact CA-O 3.31Å; A207-L292 WeakPolarHBondContact CA-O 3.4Å; A207-V293 HydrophobicContact CB-CB 4.33Å; A207-V293 HydrophobicContact CB-CG1 4.32Å; A207-V293 HydrophobicContact CB-CG2 3.88Å
208	T	97.7	Very high	97.2	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.025	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146	178.1	-172.2	0	0	0	0	111.3	F190 N191 L210 S291 L292	F190-T208 HydrophobicContact CD2-CG2 4.17Å; F190-T208 HydrophobicContact CE2-CG2 3.75Å; F190-T208 HydrophobicContact CZ-CG2 4.42Å; N191-T208 PolarHBondContact N-OG1 2.96Å; N191-T208 CarbonylContact O-C 3.58Å; N191-T208 WeakPolarHBondContact O-CA 3.34Å; N191-T208 PolarHBondContact O-OG1 2.93Å; T208-L210 HydrophobicContact CG2-CD2 4.31Å; T208-S291 WeakPolarHBondContact O-CA 3.42Å; T208-S291 WeakPolarHBondContact O-CB 3.34Å; T208-L292 HydrophobicContact CG2-CB 4.1Å; T208-L292 PolarHBondContact N-O 3.08Å; T208-L292 PolarHBondContact O-N 2.87Å
209	Y	97.2	Very high	96.7	Very high	66 Å²	66	14.8 Å²	14.8	26%	0.259	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140	155.3	-70.7	-60.9	0	0	0	109.3	L48 N191 S193 I194	L48-Y209 HydrophobicContact CD2-CE1 3.74Å; N191-Y209 PolarHBondContact O-N 2.89Å; S193-Y209 WeakPolarHBondContact OG-CD2 3.36Å; S193-Y209 VanDerWaalsContact OG-CE2 3.31Å; S193-Y209 WeakPolarHBondContact OG-CE2 3.39Å; I194-Y209 HydrophobicContact CB-CD1 4.45Å; I194-Y209 HydrophobicContact CB-CD2 4.08Å; I194-Y209 HydrophobicContact CB-CE1 4.01Å; I194-Y209 HydrophobicContact CB-CE2 3.65Å; I194-Y209 HydrophobicContact CB-CG 4.46Å; I194-Y209 HydrophobicContact CD1-CD1 4.32Å; I194-Y209 HydrophobicContact CD1-CE1 3.84Å; I194-Y209 HydrophobicContact CG1-CE1 4.01Å; I194-Y209 HydrophobicContact CG1-CE2 4.41Å
210	L	97.2	Very high	96.6	Very high	15 Å²	15	15.1 Å²	15.1	8%	0.079	8%	0.078	C	C	.	.			trans	-89.2	144	172	-61.9	173.3	0	0	0	109	T208 S212 L215 L230 Y262 T264 P290 L292	T208-L210 HydrophobicContact CG2-CD2 4.31Å; L210-S212 WeakPolarHBondContact CB-O 3.16Å; L210-S212 PolarHBondContact O-N 2.89Å; L210-L215 HydrophobicContact CD1-CD1 4.23Å; L210-L215 HydrophobicContact CD1-CD2 3.98Å; L210-L215 HydrophobicContact CD1-CG 4.49Å; L210-L215 HydrophobicContact CD2-CD1 4.32Å; L210-L230 HydrophobicContact CD1-CD1 3.79Å; L210-L230 HydrophobicContact CD1-CD2 4.48Å; L210-Y262 HydrophobicContact CD2-CE2 3.88Å; L210-T264 HydrophobicContact CB-CG2 4.02Å; L210-T264 HydrophobicContact CD2-CG2 3.73Å; L210-T264 HydrophobicContact CG-CG2 4.33Å; L210-P290 HydrophobicContact CB-CB 4.3Å; L210-P290 PolarHBondContact N-O 2.93Å; L210-L292 HydrophobicContact CD1-CB 4.37Å; L210-L292 HydrophobicContact CD2-CB 3.94Å; L210-L292 HydrophobicContact CG-CB 4.29Å
211	S	92.2	Very high	96.4	Very high	47 Å²	47	15.6 Å²	15.6	33%	0.329	8%	0.081	S	C	.	.	S	Bend	trans	-69.5	-14.8	178.3	63.1	0	0	0	0	113.4	T264 E266	S211-T264 PolarHBondContact OG-OG1 3.49Å; S211-E266 VanDerWaalsContact CB-OE1 3.26Å; S211-E266 WeakPolarHBondContact CB-OE1 3.14Å; S211-E266 PolarHBondContact OG-OE1 2.8Å
212	S	95	Very high	95.9	Very high	12 Å²	12	12.8 Å²	12.8	8%	0.084	7%	0.069	C	C	.	.	S	Bend	trans	-153.5	162.1	-178.1	178.6	0	0	0	0	110.1	L210 V214 L265	L210-S212 WeakPolarHBondContact CB-O 3.16Å; L210-S212 PolarHBondContact O-N 2.89Å; S212-V214 VanDerWaalsContact C-N 3.28Å; S212-V214 PolarHBondContact OG-N 2.99Å; S212-L265 WeakPolarHBondContact CB-O 3.39Å; S212-L265 PolarHBondContact OG-O 2.95Å
213	D	95.8	Very high	95.5	Very high	83 Å²	83	12.8 Å²	12.8	44%	0.444	7%	0.069	S	C	.	.	S	Bend	trans	-87.1	3.8	171.4	73.7	-16.7	0	0	0	113.2	R227 L230 P290	D213-R227 PolarHBondContact O-NE 3.4Å; D213-R227 PolarHBondContact O-NH2 3.29Å; D213-R227 IonicContact OD1-NH2 3.12Å; D213-R227 PolarHBondContact OD1-NH2 3.03Å; D213-R227 IonicContact OD2-NH2 3.15Å; D213-R227 PolarHBondContact OD2-NH2 3.44Å; D213-R227 VanDerWaalsContact OD2-NH2 3.13Å; D213-L230 HydrophobicContact CB-CD1 4.27Å; D213-P290 HydrophobicContact CB-CB 4.28Å
214	V	97.9	Very high	95.2	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	9%	0.092	C	C	.	.			trans	-97.3	101.2	174.7	-170.4	0	0	0	0	108.7	S212 Y216 R227 T264 L265 Y744	S212-V214 VanDerWaalsContact C-N 3.28Å; S212-V214 PolarHBondContact OG-N 2.99Å; V214-Y216 HydrophobicContact CG1-CD2 4.36Å; V214-Y216 HydrophobicContact CG1-CE2 3.48Å; V214-Y216 VanDerWaalsContact CG1-CE2 3.48Å; V214-Y216 WeakPolarHBondContact CG1-OH 3.44Å; V214-R227 HydrophobicContact CG1-CG 4.38Å; V214-T264 VanDerWaalsContact O-CA 3.3Å; V214-T264 WeakPolarHBondContact O-CA 3.3Å; V214-L265 HydrophobicContact CB-CB 4.21Å; V214-L265 WeakPolarHBondContact CB-O 3.15Å; V214-L265 HydrophobicContact CG1-CB 3.98Å; V214-L265 HydrophobicContact CG1-CD2 4.45Å; V214-L265 PolarHBondContact O-N 2.92Å; V214-Y744 HydrophobicContact CB-CD2 4.46Å; V214-Y744 HydrophobicContact CG1-CD2 4.16Å; V214-Y744 HydrophobicContact CG1-CG 4.28Å; V214-Y744 HydrophobicContact CG2-CD2 3.5Å; V214-Y744 VanDerWaalsContact CG2-CD2 3.5Å; V214-Y744 HydrophobicContact CG2-CE2 3.78Å; V214-Y744 HydrophobicContact CG2-CG 4.39Å
215	L	98.3	Very high	95	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.4	-175.6	-179.4	68.9	0	0	0	110.7	L210 F218 H228 L230 Y262 T264 T286 L292	L210-L215 HydrophobicContact CD1-CD1 4.23Å; L210-L215 HydrophobicContact CD1-CD2 3.98Å; L210-L215 HydrophobicContact CD1-CG 4.49Å; L210-L215 HydrophobicContact CD2-CD1 4.32Å; L215-F218 HydrophobicContact CD2-CE1 3.93Å; L215-F218 HydrophobicContact CD2-CZ 4.41Å; L215-F218 HydrophobicContact CG-CE1 4.29Å; L215-H228 HydrophobicContact CB-CB 4.26Å; L215-H228 HydrophobicContact CD2-CB 4.13Å; L215-H228 HydrophobicContact CG-CB 4.31Å; L215-H228 PolarHBondContact O-N 2.83Å; L215-L230 HydrophobicContact CB-CD2 4.45Å; L215-L230 HydrophobicContact CD2-CD2 3.8Å; L215-Y262 HydrophobicContact CD1-CD2 3.65Å; L215-Y262 HydrophobicContact CD1-CE2 4.47Å; L215-Y262 HydrophobicContact CD1-CG 4.17Å; L215-T264 HydrophobicContact CD1-CG2 4.06Å; L215-T286 HydrophobicContact CD2-CG2 3.87Å; L215-L292 HydrophobicContact CD2-CD1 4.08Å
216	Y	98.2	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.6	177.9	-59.1	-70.5	0	0	0	111.9	V214 F226 R227 Y262 M263 L265 S734 F735 Y744	V214-Y216 HydrophobicContact CG1-CD2 4.36Å; V214-Y216 HydrophobicContact CG1-CE2 3.48Å; V214-Y216 VanDerWaalsContact CG1-CE2 3.48Å; V214-Y216 WeakPolarHBondContact CG1-OH 3.44Å; Y216-F226 AromaticContact CD1-CD1 3.44Å; Y216-F226 HydrophobicContact CD1-CD1 3.44Å; Y216-F226 VanDerWaalsContact CD1-CD1 3.44Å; Y216-F226 HydrophobicContact CD1-CD2 4.4Å; Y216-F226 AromaticContact CD1-CE1 3.28Å; Y216-F226 HydrophobicContact CD1-CE1 3.28Å; Y216-F226 HydrophobicContact CD1-CE2 4.29Å; Y216-F226 HydrophobicContact CD1-CG 4.01Å; Y216-F226 AromaticContact CD1-CZ 3.76Å; Y216-F226 HydrophobicContact CD1-CZ 3.76Å; Y216-F226 WeakPolarHBondContact CD1-O 3.4Å; Y216-F226 AromaticContact CE1-CD1 3.37Å; Y216-F226 HydrophobicContact CE1-CD1 3.37Å; Y216-F226 AromaticContact CE1-CE1 3.48Å; Y216-F226 HydrophobicContact CE1-CE1 3.48Å; Y216-F226 VanDerWaalsContact CE1-CE1 3.48Å; Y216-F226 HydrophobicContact CE1-CG 4.22Å; Y216-F226 HydrophobicContact CE1-CZ 4.39Å; Y216-F226 AromaticContact CG-CE1 3.96Å; Y216-F226 HydrophobicContact CG-CE1 3.96Å; Y216-F226 HydrophobicContact CG-CZ 4.14Å; Y216-R227 HydrophobicContact CD1-CB 4.34Å; Y216-R227 HydrophobicContact CE1-CB 3.77Å; Y216-R227 HydrophobicContact CE1-CG 4.36Å; Y216-Y262 WeakPolarHBondContact O-CA 3.39Å; Y216-M263 PolarHBondContact N-O 2.8Å; Y216-M263 PolarHBondContact O-N 2.94Å; Y216-L265 HydrophobicContact CE2-CB 4.12Å; Y216-L265 HydrophobicContact CE2-CD2 4.13Å; Y216-S734 WeakPolarHBondContact OH-CB 3.14Å; Y216-S734 PolarHBondContact OH-OG 2.96Å; Y216-F735 AromaticContact CD2-CE1 3.67Å; Y216-F735 HydrophobicContact CD2-CE1 3.67Å; Y216-F735 HydrophobicContact CD2-CZ 4.16Å; Y216-F735 AromaticContact CE2-CE1 3.82Å; Y216-F735 HydrophobicContact CE2-CE1 3.82Å; Y216-F735 HydrophobicContact CG-CE1 4.19Å; Y216-F735 HydrophobicContact CG-CZ 4.37Å; Y216-Y744 WeakPolarHBondContact OH-CA 3.38Å; Y216-Y744 PolarHBondContact OH-O 3.35Å
217	G	96.8	Very high	94.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.3	-157	169.6	0	0	0	0	0	115.3	H228	G217-H228 PolarHBondContact O-CD2 3.24Å; G217-H228 PolarHBondContact O-NE2 3.03Å
218	F	96.2	Very high	94.8	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.118	C	C	.	.			trans	54.3	145.8	-171.4	63.8	-97.6	0	0	0	120.3	L215 H228 W236 M238 H259 F261 Y284 T286 L292	L215-F218 HydrophobicContact CD2-CE1 3.93Å; L215-F218 HydrophobicContact CD2-CZ 4.41Å; L215-F218 HydrophobicContact CG-CE1 4.29Å; F218-H228 AromaticContact CE1-CD2 3.94Å; F218-H228 AromaticContact CE1-NE2 3.93Å; F218-H228 AromaticContact CE2-CE1 3.77Å; F218-H228 AromaticContact CE2-NE2 3.87Å; F218-H228 AromaticContact CZ-CD2 3.88Å; F218-H228 AromaticContact CZ-CE1 3.75Å; F218-H228 AromaticContact CZ-NE2 3.65Å; F218-W236 HydrophobicContact CD2-CB 4.27Å; F218-W236 HydrophobicContact CE2-CB 3.61Å; F218-W236 AromaticContact CE2-CD1 3.82Å; F218-W236 HydrophobicContact CE2-CD2 4.31Å; F218-W236 AromaticContact CE2-CG 3.64Å; F218-W236 HydrophobicContact CE2-CG 3.64Å; F218-W236 HydrophobicContact CZ-CG 4.3Å; F218-M238 HydrophobicContact CB-SD 4.25Å; F218-H259 CarbonylContact C-O 3.48Å; F218-H259 WeakPolarHBondContact CA-O 3.4Å; F218-F261 VanDerWaalsContact CA-O 3.24Å; F218-F261 WeakPolarHBondContact CA-O 3.17Å; F218-F261 WeakPolarHBondContact CB-O 3.1Å; F218-F261 PolarHBondContact N-O 3.17Å; F218-Y284 HydrophobicContact CB-CD2 3.71Å; F218-Y284 HydrophobicContact CB-CE2 3.47Å; F218-Y284 VanDerWaalsContact CB-CE2 3.47Å; F218-Y284 AromaticContact CD1-CD2 3.74Å; F218-Y284 HydrophobicContact CD1-CD2 3.74Å; F218-Y284 AromaticContact CD1-CE2 3.97Å; F218-Y284 HydrophobicContact CD1-CE2 3.97Å; F218-Y284 AromaticContact CD2-CD2 3.44Å; F218-Y284 HydrophobicContact CD2-CD2 3.44Å; F218-Y284 VanDerWaalsContact CD2-CD2 3.44Å; F218-Y284 HydrophobicContact CD2-CE2 4.15Å; F218-Y284 HydrophobicContact CD2-CG 4.36Å; F218-Y284 HydrophobicContact CE1-CD2 4.16Å; F218-Y284 AromaticContact CE2-CD2 3.91Å; F218-Y284 HydrophobicContact CE2-CD2 3.91Å; F218-Y284 HydrophobicContact CE2-CG 4.42Å; F218-Y284 AromaticContact CG-CD2 3.32Å; F218-Y284 HydrophobicContact CG-CD2 3.32Å; F218-Y284 AromaticContact CG-CE2 3.59Å; F218-Y284 HydrophobicContact CG-CE2 3.59Å; F218-Y284 HydrophobicContact CG-CG 4.39Å; F218-Y284 HydrophobicContact CZ-CD2 4.23Å; F218-T286 HydrophobicContact CZ-CG2 4.25Å; F218-L292 HydrophobicContact CE1-CD1 4.39Å; F218-L292 HydrophobicContact CZ-CD1 4.48Å
219	G	88.7	Confident	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	70.2	-174.9	177.4	0	0	0	0	0	113.6	N221 H259 F638	G219-N221 WeakPolarHBondContact CA-OD1 3.42Å; G219-H259 PolarHBondContact N-O 3.25Å; G219-F638 WeakPolarHBondContact O-CE2 3.22Å; G219-F638 VanDerWaalsContact O-CZ 3.32Å; G219-F638 WeakPolarHBondContact O-CZ 2.92Å
220	E	95.8	Very high	94.6	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.037	13%	0.126	C	C	.	.	S	Bend	trans	-124.2	100.3	152.5	-172.8	-173.4	161	0	0	105	L255 Y256 G257 H613 F635	E220-L255 HydrophobicContact CB-CB 4.37Å; E220-L255 HydrophobicContact CG-CB 3.96Å; E220-L255 HydrophobicContact CG-CD1 4.2Å; E220-L255 WeakPolarHBondContact O-CB 3.22Å; E220-L255 PolarHBondContact O-N 3.3Å; E220-Y256 WeakPolarHBondContact OE1-CD2 3.41Å; E220-Y256 WeakPolarHBondContact OE2-CB 3.38Å; E220-Y256 PolarHBondContact OE2-N 3.45Å; E220-G257 WeakPolarHBondContact CB-O 3.44Å; E220-G257 WeakPolarHBondContact OE2-CA 3.42Å; E220-G257 PolarHBondContact OE2-N 3.19Å; E220-H613 IonicContact OE1-CE1 3.03Å; E220-H613 IonicContact OE1-NE2 3.88Å; E220-H613 IonicContact OE2-CE1 3.93Å; E220-H613 IonicContact OE2-NE2 3.02Å; E220-F635 HydrophobicContact CB-CE2 4.47Å; E220-F635 HydrophobicContact CB-CZ 4.36Å; E220-F635 HydrophobicContact CG-CE2 3.86Å; E220-F635 HydrophobicContact CG-CZ 4.04Å
221	N	92.9	Very high	94.5	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.059	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-132.8	148.4	-170.4	-67	99.5	0	0	0	110.6	G219 H223 W236 P237 R252 G253 N254	G219-N221 WeakPolarHBondContact CA-OD1 3.42Å; N221-H223 PolarHBondContact O-CD2 2.77Å; N221-H223 VanDerWaalsContact O-CD2 3.23Å; N221-H223 PolarHBondContact O-N 2.63Å; N221-W236 HydrophobicContact CB-CE3 4.35Å; N221-P237 PolarHBondContact ND2-O 3.06Å; N221-P237 PolarHBondContact OD1-O 2.92Å; N221-R252 PolarHBondContact ND2-O 3.14Å; N221-G253 WeakPolarHBondContact CA-O 3.12Å; N221-G253 PolarHBondContact ND2-O 3.06Å; N221-N254 WeakPolarHBondContact ND2-CA 3.5Å; N221-N254 PolarHBondContact ND2-N 3.3Å
222	A	84.9	Confident	94.6	Very high	7 Å²	7	25 Å²	25	6%	0.058	14%	0.136	C	C	.	.			trans	-75.5	114.5	172.3	0	0	0	0	0	111	R252 G253	A222-R252 WeakPolarHBondContact O-CA 3.44Å; A222-R252 PolarHBondContact O-N 3.45Å; A222-G253 PolarHBondContact N-O 2.95Å
223	H	90	Very high	94.6	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.046	14%	0.138	C	C	.	.			trans	-147.2	164.5	174.3	64.7	91.3	0	0	0	112.7	N221 T225 W236 I630 E634	N221-H223 PolarHBondContact O-CD2 2.77Å; N221-H223 VanDerWaalsContact O-CD2 3.23Å; N221-H223 PolarHBondContact O-N 2.63Å; H223-T225 PolarHBondContact CE1-O 2.86Å; H223-T225 VanDerWaalsContact CE1-O 3.25Å; H223-T225 PolarHBondContact ND1-O 2.78Å; H223-W236 HydrophobicContact CB-CH2 3.79Å; H223-W236 HydrophobicContact CB-CZ3 3.68Å; H223-I630 WeakPolarHBondContact CE1-CG2 3.41Å; H223-E634 IonicContact CD2-OE1 3.14Å; H223-E634 IonicContact CE1-OE1 2.67Å; H223-E634 PolarHBondContact CE1-OE1 3.27Å; H223-E634 VanDerWaalsContact NE2-CD 3.29Å; H223-E634 IonicContact NE2-OE1 3.95Å; H223-E634 PolarHBondContact NE2-OE1 3.01Å; H223-E634 IonicContact NE2-OE2 2.85Å; H223-E634 PolarHBondContact NE2-OE2 2.81Å
224	Q	91.2	Very high	94.5	Very high	102 Å²	102	23 Å²	23	48%	0.477	12%	0.122	S	C	.	.	S	Bend	trans	-101.8	-11.8	-165.1	-62.1	-168.7	-49.2	0	0	114.4	E248 E250	Q224-E248 PolarHBondContact NE2-O 3.45Å; Q224-E250 HydrophobicContact CG-CB 4.41Å
225	T	95.2	Very high	94.4	Very high	60 Å²	60	24.1 Å²	24.1	37%	0.368	13%	0.129	S	C	.	.			trans	-141.4	135.8	-176.9	53.7	0	0	0	0	110.9	H223 R227 D747	H223-T225 PolarHBondContact CE1-O 2.86Å; H223-T225 VanDerWaalsContact CE1-O 3.25Å; H223-T225 PolarHBondContact ND1-O 2.78Å; T225-R227 VanDerWaalsContact C-N 3.29Å; T225-R227 PolarHBondContact O-N 2.88Å; T225-R227 PolarHBondContact OG1-O 3.49Å; T225-D747 VanDerWaalsContact CA-OD2 3.29Å; T225-D747 WeakPolarHBondContact CA-OD2 3.3Å
226	F	96.7	Very high	94.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	13%	0.129	C	C	.	.	S	Bend	trans	-59.5	-38.8	179.7	178.9	-124.6	0	0	0	113.1	Y216 I630 L633 E634 M637 P732 F735 D747	Y216-F226 AromaticContact CD1-CD1 3.44Å; Y216-F226 HydrophobicContact CD1-CD1 3.44Å; Y216-F226 VanDerWaalsContact CD1-CD1 3.44Å; Y216-F226 HydrophobicContact CD1-CD2 4.4Å; Y216-F226 AromaticContact CD1-CE1 3.28Å; Y216-F226 HydrophobicContact CD1-CE1 3.28Å; Y216-F226 HydrophobicContact CD1-CE2 4.29Å; Y216-F226 HydrophobicContact CD1-CG 4.01Å; Y216-F226 AromaticContact CD1-CZ 3.76Å; Y216-F226 HydrophobicContact CD1-CZ 3.76Å; Y216-F226 WeakPolarHBondContact CD1-O 3.4Å; Y216-F226 AromaticContact CE1-CD1 3.37Å; Y216-F226 HydrophobicContact CE1-CD1 3.37Å; Y216-F226 AromaticContact CE1-CE1 3.48Å; Y216-F226 HydrophobicContact CE1-CE1 3.48Å; Y216-F226 VanDerWaalsContact CE1-CE1 3.48Å; Y216-F226 HydrophobicContact CE1-CG 4.22Å; Y216-F226 HydrophobicContact CE1-CZ 4.39Å; Y216-F226 AromaticContact CG-CE1 3.96Å; Y216-F226 HydrophobicContact CG-CE1 3.96Å; Y216-F226 HydrophobicContact CG-CZ 4.14Å; F226-I630 HydrophobicContact CB-CG1 4.35Å; F226-I630 HydrophobicContact CD2-CG2 4.44Å; F226-L633 HydrophobicContact CD1-CD1 4.34Å; F226-L633 HydrophobicContact CD2-CB 4.05Å; F226-L633 HydrophobicContact CD2-CD1 4.38Å; F226-L633 HydrophobicContact CE2-CB 3.78Å; F226-L633 HydrophobicContact CG-CD1 4.2Å; F226-L633 HydrophobicContact CZ-CB 4.17Å; F226-E634 HydrophobicContact CD2-CG 4.02Å; F226-E634 HydrophobicContact CE2-CG 3.81Å; F226-M637 HydrophobicContact CE2-SD 3.81Å; F226-M637 HydrophobicContact CZ-SD 3.63Å; F226-P732 HydrophobicContact CD1-CB 4.11Å; F226-P732 HydrophobicContact CE1-CB 3.54Å; F226-P732 HydrophobicContact CE1-CG 3.66Å; F226-P732 HydrophobicContact CZ-CB 4.23Å; F226-P732 HydrophobicContact CZ-CG 4.01Å; F226-F735 HydrophobicContact CE1-CE1 4.3Å; F226-F735 HydrophobicContact CE1-CZ 4.41Å; F226-F735 HydrophobicContact CZ-CZ 4.16Å; F226-D747 HydrophobicContact CB-CB 3.8Å
227	R	97.3	Very high	94.2	Very high	48 Å²	48	24.2 Å²	24.2	18%	0.181	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-78.3	131.3	169.7	-177	-171.3	174	178.4	2	109.6	D213 V214 Y216 T225 D745	D213-R227 PolarHBondContact O-NE 3.4Å; D213-R227 PolarHBondContact O-NH2 3.29Å; D213-R227 IonicContact OD1-NH2 3.12Å; D213-R227 PolarHBondContact OD1-NH2 3.03Å; D213-R227 IonicContact OD2-NH2 3.15Å; D213-R227 PolarHBondContact OD2-NH2 3.44Å; D213-R227 VanDerWaalsContact OD2-NH2 3.13Å; V214-R227 HydrophobicContact CG1-CG 4.38Å; Y216-R227 HydrophobicContact CD1-CB 4.34Å; Y216-R227 HydrophobicContact CE1-CB 3.77Å; Y216-R227 HydrophobicContact CE1-CG 4.36Å; T225-R227 VanDerWaalsContact C-N 3.29Å; T225-R227 PolarHBondContact O-N 2.88Å; T225-R227 PolarHBondContact OG1-O 3.49Å; R227-D745 WeakPolarHBondContact CD-OD1 3.47Å; R227-D745 IonicContact CZ-OD1 3.64Å; R227-D745 IonicContact NE-OD1 2.75Å; R227-D745 IonicContact NH1-OD1 3.56Å; R227-D745 PolarHBondContact NH1-OD1 3.44Å; R227-D745 IonicContact NH1-OD2 3.3Å
228	H	96.6	Very high	94.3	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.019	13%	0.13	C	C	.	.			trans	-70.4	133.1	172.6	-77.7	-76.9	0	0	0	111.7	L215 G217 F218 L230 W236	L215-H228 HydrophobicContact CB-CB 4.26Å; L215-H228 HydrophobicContact CD2-CB 4.13Å; L215-H228 HydrophobicContact CG-CB 4.31Å; L215-H228 PolarHBondContact O-N 2.83Å; G217-H228 PolarHBondContact O-CD2 3.24Å; G217-H228 PolarHBondContact O-NE2 3.03Å; F218-H228 AromaticContact CE1-CD2 3.94Å; F218-H228 AromaticContact CE1-NE2 3.93Å; F218-H228 AromaticContact CE2-CE1 3.77Å; F218-H228 AromaticContact CE2-NE2 3.87Å; F218-H228 AromaticContact CZ-CD2 3.88Å; F218-H228 AromaticContact CZ-CE1 3.75Å; F218-H228 AromaticContact CZ-NE2 3.65Å; H228-L230 PolarHBondContact O-N 2.87Å; H228-W236 AromaticContact ND1-CE2 3.59Å; H228-W236 AromaticContact ND1-CH2 4Å; H228-W236 AromaticContact ND1-CZ2 3.5Å; H228-W236 WeakPolarHBondContact ND1-CZ2 3.3Å; H228-W236 AromaticContact ND1-NE1 3.94Å
229	N	94.3	Very high	94.4	Very high	71 Å²	71	24.7 Å²	24.7	38%	0.38	13%	0.131	S	C	.	.			trans	-82.9	113.1	175.9	-177.8	-2.5	0	0	0	111	S231	N229-S231 PolarHBondContact ND2-OG 3.28Å; N229-S231 WeakPolarHBondContact OD1-CB 3.43Å; N229-S231 PolarHBondContact OD1-N 3.24Å; N229-S231 PolarHBondContact OD1-OG 3.25Å
230	L	95.8	Very high	94.8	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.068	13%	0.132	C	C	.	.			trans	-89.9	0.2	179.5	-54.8	-174.2	0	0	0	114.2	L210 D213 L215 H228 T232 T286 G287 P288 P290	L210-L230 HydrophobicContact CD1-CD1 3.79Å; L210-L230 HydrophobicContact CD1-CD2 4.48Å; D213-L230 HydrophobicContact CB-CD1 4.27Å; L215-L230 HydrophobicContact CB-CD2 4.45Å; L215-L230 HydrophobicContact CD2-CD2 3.8Å; H228-L230 PolarHBondContact O-N 2.87Å; L230-T232 PolarHBondContact O-N 3.06Å; L230-T286 HydrophobicContact CD2-CG2 3.62Å; L230-G287 CarbonylContact O-C 3.59Å; L230-G287 VanDerWaalsContact O-C 3.29Å; L230-P288 WeakPolarHBondContact O-CA 3.47Å; L230-P288 WeakPolarHBondContact O-CB 3.41Å; L230-P288 VanDerWaalsContact O-N 3.09Å; L230-P290 HydrophobicContact CD1-CB 3.73Å
231	S	94.5	Very high	94.9	Very high	61 Å²	61	25.6 Å²	25.6	43%	0.427	13%	0.134	S	C	.	.	S	Bend	trans	-64.4	-16.2	-173.3	75.2	0	0	0	0	114.4	Y77 N229	Y77-S231 WeakPolarHBondContact CD1-O 3.29Å; N229-S231 PolarHBondContact ND2-OG 3.28Å; N229-S231 WeakPolarHBondContact OD1-CB 3.43Å; N229-S231 PolarHBondContact OD1-N 3.24Å; N229-S231 PolarHBondContact OD1-OG 3.25Å
232	T	94.9	Very high	95	Very high	29 Å²	29	26.1 Å²	26.1	18%	0.178	14%	0.137	C	C	.	.	S	Bend	trans	-141.7	156.3	179.9	57.3	0	0	0	0	109.8	Y77 L230 K234	Y77-T232 CarbonylContact O-C 3.41Å; Y77-T232 WeakPolarHBondContact O-CA 3.48Å; Y77-T232 WeakPolarHBondContact O-CB 3.45Å; L230-T232 PolarHBondContact O-N 3.06Å; T232-K234 PolarHBondContact O-N 3.27Å; T232-K234 WeakPolarHBondContact OG1-CE 3.36Å
233	F	95.3	Very high	95.5	Very high	28 Å²	28	26.8 Å²	26.8	12%	0.123	14%	0.139	C	C	.	.			trans	-67	120.4	171.6	-67.7	-94.2	0	0	0	111	E46 R49 Y77 A79 T285 T286 P288	E46-F233 WeakPolarHBondContact O-CE2 3.22Å; E46-F233 WeakPolarHBondContact O-CZ 3.2Å; R49-F233 WeakPolarHBondContact O-CE1 3.41Å; Y77-F233 WeakPolarHBondContact O-CD2 3.49Å; Y77-F233 PolarHBondContact O-N 3.06Å; A79-F233 VanDerWaalsContact CA-CD2 3.46Å; A79-F233 HydrophobicContact CB-CD2 4.13Å; A79-F233 HydrophobicContact CB-CE2 3.77Å; F233-T285 HydrophobicContact CB-CG2 4.47Å; F233-T285 HydrophobicContact CD1-CG2 4.3Å; F233-T286 VanDerWaalsContact CA-O 3.23Å; F233-T286 WeakPolarHBondContact CA-O 3.43Å; F233-P288 HydrophobicContact CD2-CG 4.39Å; F233-P288 VanDerWaalsContact CE2-CD 3.48Å; F233-P288 HydrophobicContact CE2-CG 3.89Å; F233-P288 HydrophobicContact CZ-CG 4.35Å
234	K	94.3	Very high	95.7	Very high	27 Å²	27	27.5 Å²	27.5	12%	0.117	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.4	177.6	-60.8	-176.3	-170.5	-176.5	0	111.2	T232 W236 E250 T285 T286	T232-K234 PolarHBondContact O-N 3.27Å; T232-K234 WeakPolarHBondContact OG1-CE 3.36Å; K234-W236 HydrophobicContact CD-CZ2 4.31Å; K234-E250 IonicContact NZ-OE1 2.94Å; K234-E250 PolarHBondContact NZ-OE1 2.72Å; K234-E250 IonicContact NZ-OE2 3.17Å; K234-E250 PolarHBondContact NZ-OE2 2.77Å; K234-T285 CarbonylContact O-C 3.44Å; K234-T285 VanDerWaalsContact O-CA 3.28Å; K234-T285 WeakPolarHBondContact O-CA 3.25Å; K234-T286 PolarHBondContact N-O 2.73Å; K234-T286 VanDerWaalsContact N-O 3.15Å; K234-T286 PolarHBondContact O-N 3.02Å; K234-T286 PolarHBondContact O-OG1 2.78Å
235	T	95.4	Very high	95.8	Very high	25 Å²	25	23.2 Å²	23.2	15%	0.153	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.9	174.9	-57.4	0	0	0	0	111.6	R252 E283 Y284 T285 E541	T235-R252 PolarHBondContact O-NH1 2.78Å; T235-E283 HydrophobicContact CG2-CB 3.94Å; T235-E283 HydrophobicContact CG2-CG 4.12Å; T235-E283 WeakPolarHBondContact CG2-OE1 2.96Å; T235-Y284 CarbonylContact C-O 3.48Å; T235-Y284 VanDerWaalsContact CA-O 3.27Å; T235-Y284 WeakPolarHBondContact CA-O 3.28Å; T235-T285 PolarHBondContact OG1-OG1 2.84Å; T235-E541 HydrophobicContact CG2-CB 3.76Å; T235-E541 HydrophobicContact CG2-CG 4.23Å
236	W	96.3	Very high	95.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	101	-176.5	-58.9	96.5	0	0	0	108.9	F218 N221 H223 H228 K234 E250 R252 E283 Y284 T286	F218-W236 HydrophobicContact CD2-CB 4.27Å; F218-W236 HydrophobicContact CE2-CB 3.61Å; F218-W236 AromaticContact CE2-CD1 3.82Å; F218-W236 HydrophobicContact CE2-CD2 4.31Å; F218-W236 AromaticContact CE2-CG 3.64Å; F218-W236 HydrophobicContact CE2-CG 3.64Å; F218-W236 HydrophobicContact CZ-CG 4.3Å; N221-W236 HydrophobicContact CB-CE3 4.35Å; H223-W236 HydrophobicContact CB-CH2 3.79Å; H223-W236 HydrophobicContact CB-CZ3 3.68Å; H228-W236 AromaticContact ND1-CE2 3.59Å; H228-W236 AromaticContact ND1-CH2 4Å; H228-W236 AromaticContact ND1-CZ2 3.5Å; H228-W236 WeakPolarHBondContact ND1-CZ2 3.3Å; H228-W236 AromaticContact ND1-NE1 3.94Å; K234-W236 HydrophobicContact CD-CZ2 4.31Å; W236-E250 HydrophobicContact CH2-CG 4.17Å; W236-E250 WeakPolarHBondContact CH2-OE1 3.33Å; W236-R252 HydrophobicContact CD2-CG 4.47Å; W236-R252 HydrophobicContact CE3-CB 3.78Å; W236-R252 HydrophobicContact CE3-CG 3.84Å; W236-R252 HydrophobicContact CH2-CG 3.81Å; W236-R252 HydrophobicContact CZ2-CG 4.43Å; W236-R252 HydrophobicContact CZ3-CB 3.8Å; W236-R252 HydrophobicContact CZ3-CG 3.46Å; W236-R252 VanDerWaalsContact CZ3-CG 3.46Å; W236-E283 WeakPolarHBondContact O-CA 3.2Å; W236-E283 WeakPolarHBondContact O-CB 2.94Å; W236-Y284 PolarHBondContact N-O 3.05Å; W236-Y284 PolarHBondContact O-N 3.3Å; W236-T286 PolarHBondContact NE1-OG1 2.92Å
237	P	96.3	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.1	-177.7	26	-32.1	0	0	0	113.3	N221 R252 N254 E541 A542 L545	N221-P237 PolarHBondContact ND2-O 3.06Å; N221-P237 PolarHBondContact OD1-O 2.92Å; P237-R252 VanDerWaalsContact CD-O 3.31Å; P237-R252 WeakPolarHBondContact CD-O 3.26Å; P237-N254 HydrophobicContact CB-CB 4.35Å; P237-N254 HydrophobicContact CG-CB 4.29Å; P237-E541 HydrophobicContact CB-CB 4.01Å; P237-E541 HydrophobicContact CB-CG 4.5Å; P237-E541 HydrophobicContact CG-CB 4.15Å; P237-E541 HydrophobicContact CG-CG 4.1Å; P237-A542 HydrophobicContact CB-CB 3.69Å; P237-A542 VanDerWaalsContact CB-N 3.28Å; P237-L545 HydrophobicContact CG-CD1 3.99Å
238	M	97.8	Very high	95.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	103.2	176	-67.4	175.9	-79.2	0	0	109.2	F218 V258 P260 Q282 Y284	F218-M238 HydrophobicContact CB-SD 4.25Å; M238-V258 HydrophobicContact CB-CG1 4.15Å; M238-P260 HydrophobicContact CE-CB 4.49Å; M238-P260 HydrophobicContact SD-CB 4.11Å; M238-Q282 CarbonylContact C-O 3.54Å; M238-Q282 WeakPolarHBondContact CA-O 3.14Å; M238-Q282 HydrophobicContact CB-CG 3.76Å; M238-Q282 HydrophobicContact CE-CG 3.98Å; M238-Q282 PolarHBondContact N-O 3.48Å; M238-Q282 PolarHBondContact O-N 3.11Å; M238-Y284 HydrophobicContact CE-CD2 3.23Å; M238-Y284 HydrophobicContact CE-CE2 3.37Å; M238-Y284 HydrophobicContact CE-CG 3.99Å; M238-Y284 HydrophobicContact SD-CD2 4.11Å; M238-Y284 HydrophobicContact SD-CE2 4Å
239	F	97.6	Very high	94.9	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	17%	0.173	C	C	.	.			trans	-162.4	118.2	173.1	-170.2	-121.3	0	0	0	105.3	R241 N254 A281 A542 L550 M557 H573	F239-R241 PolarHBondContact O-N 3.1Å; F239-N254 WeakPolarHBondContact O-CB 3.43Å; F239-N254 PolarHBondContact O-ND2 3.49Å; F239-A281 HydrophobicContact CB-CB 4.11Å; F239-A281 HydrophobicContact CD2-CB 3.57Å; F239-A281 HydrophobicContact CE2-CB 4.06Å; F239-A281 HydrophobicContact CG-CB 3.88Å; F239-A542 HydrophobicContact CB-CB 3.82Å; F239-L550 HydrophobicContact CD1-CD1 3.82Å; F239-L550 HydrophobicContact CE1-CD1 3.62Å; F239-L550 HydrophobicContact CE1-CG 3.91Å; F239-L550 HydrophobicContact CG-CD1 4.43Å; F239-L550 HydrophobicContact CZ-CD1 4.08Å; F239-L550 HydrophobicContact CZ-CD2 4.4Å; F239-L550 HydrophobicContact CZ-CG 4.05Å; F239-M557 HydrophobicContact CE1-CE 4.39Å; F239-M557 HydrophobicContact CZ-CE 4.01Å; F239-M557 HydrophobicContact CZ-SD 3.86Å; F239-H573 AromaticContact CD2-CD2 3.71Å; F239-H573 AromaticContact CE1-CD2 3.66Å; F239-H573 AromaticContact CE1-NE2 3.8Å; F239-H573 HydrophobicContact CE2-CB 3.81Å; F239-H573 AromaticContact CE2-CD2 3.21Å; F239-H573 WeakPolarHBondContact CE2-CD2 3.4Å; F239-H573 AromaticContact CE2-CG 3.68Å; F239-H573 HydrophobicContact CZ-CB 3.87Å; F239-H573 AromaticContact CZ-CD2 3.18Å; F239-H573 WeakPolarHBondContact CZ-CD2 3.47Å; F239-H573 AromaticContact CZ-CG 3.45Å; F239-H573 VanDerWaalsContact CZ-CG 3.45Å; F239-H573 AromaticContact CZ-NE2 3.81Å
240	S	97.7	Very high	94.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	17%	0.169	C	C	.	.			trans	-52.4	140.8	-176.4	45.8	0	0	0	0	111.6	L255 Y256 H573 S574	S240-L255 CarbonylContact C-O 3.32Å; S240-L255 WeakPolarHBondContact CA-O 3.14Å; S240-Y256 WeakPolarHBondContact CB-O 3.2Å; S240-H573 PolarHBondContact O-NE2 3.36Å; S240-H573 PolarHBondContact OG-CD2 2.98Å; S240-H573 PolarHBondContact OG-NE2 3.5Å; S240-S574 PolarHBondContact N-OG 2.91Å; S240-S574 VanDerWaalsContact OG-CA 3.31Å; S240-S574 WeakPolarHBondContact OG-CA 3.3Å; S240-S574 PolarHBondContact OG-OG 3.45Å
241	R	97.2	Very high	94	Very high	25 Å²	25	33.5 Å²	33.5	9%	0.094	18%	0.176	C	C	.	.			trans	-157.1	138	-173	-174.6	179.2	-178.2	70.3	2.1	111.5	F239 Q243 N254 L255 Y256 A552	F239-R241 PolarHBondContact O-N 3.1Å; R241-Q243 VanDerWaalsContact C-N 3.29Å; R241-Q243 HydrophobicContact CB-CB 4.42Å; R241-Q243 HydrophobicContact CG-CB 3.93Å; R241-Q243 PolarHBondContact O-N 3.16Å; R241-N254 WeakPolarHBondContact CB-ND2 3.17Å; R241-L255 PolarHBondContact N-O 2.95Å; R241-L255 CarbonylContact O-C 3.31Å; R241-Y256 WeakPolarHBondContact O-CD1 3.43Å; R241-A552 PolarHBondContact NH1-O 2.72Å
242	D	96.4	Very high	93.9	Very high	23 Å²	23	33.3 Å²	33.3	12%	0.123	17%	0.166	C	C	.	.			trans	-68	83.3	167.3	-176.4	39.5	0	0	0	111.5	A503 K553 R601	D242-A503 HydrophobicContact CB-CB 3.59Å; D242-K553 WeakPolarHBondContact O-CD 3.44Å; D242-K553 PolarHBondContact O-NZ 2.95Å; D242-R601 IonicContact OD1-CZ 2.77Å; D242-R601 IonicContact OD1-NH1 2.94Å; D242-R601 IonicContact OD1-NH2 2.72Å; D242-R601 PolarHBondContact OD1-NH2 3.37Å
243	Q	94.7	Very high	93.8	Very high	20 Å²	20	32 Å²	32	9%	0.093	16%	0.158	C	C	.	.			trans	-148	118.3	-173.9	-175.9	56.4	49.1	0	0	111.4	R241 L255 Y256 W546	R241-Q243 VanDerWaalsContact C-N 3.29Å; R241-Q243 HydrophobicContact CB-CB 4.42Å; R241-Q243 HydrophobicContact CG-CB 3.93Å; R241-Q243 PolarHBondContact O-N 3.16Å; Q243-L255 HydrophobicContact CB-CD2 4.48Å; Q243-L255 HydrophobicContact CG-CD2 4.38Å; Q243-L255 WeakPolarHBondContact O-CD2 3.27Å; Q243-Y256 WeakPolarHBondContact O-CE2 3.33Å; Q243-Y256 VanDerWaalsContact O-CZ 3.24Å; Q243-Y256 PolarHBondContact O-OH 3.19Å; Q243-W546 VanDerWaalsContact CD-CH2 3.4Å; Q243-W546 HydrophobicContact CG-CH2 3.5Å; Q243-W546 VanDerWaalsContact CG-CH2 3.5Å; Q243-W546 HydrophobicContact CG-CZ2 3.44Å; Q243-W546 VanDerWaalsContact CG-CZ2 3.44Å; Q243-W546 HydrophobicContact CG-CZ3 4.18Å
244	P	94.8	Very high	93.8	Very high	26 Å²	26	30.7 Å²	30.7	17%	0.169	15%	0.153	C	C	.	.			trans	-58.3	143.4	172.1	-27.5	35.5	0	0	0	112.5	D617 F619	P244-D617 HydrophobicContact CB-CB 4.29Å; P244-D617 HydrophobicContact CG-CB 4.22Å; P244-F619 HydrophobicContact CB-CE2 3.83Å; P244-F619 HydrophobicContact CB-CZ 4.29Å
245	P	94	Very high	93.9	Very high	12 Å²	12	29.9 Å²	29.9	8%	0.078	15%	0.15	C	C	.	.			trans	-65.7	135.9	176.3	29	-34.5	0	0	0	110.6	L255 N618 F619	P245-L255 HydrophobicContact CB-CD1 3.86Å; P245-L255 HydrophobicContact CB-CD2 4.33Å; P245-N618 HydrophobicContact CG-CB 3.9Å; P245-F619 WeakPolarHBondContact O-CD2 3.29Å; P245-F619 WeakPolarHBondContact O-CE2 3.4Å
246	Q	91.1	Very high	94	Very high	69 Å²	69	28.7 Å²	28.7	32%	0.322	14%	0.142	S	C	.	.			trans	-109.1	86.1	177.1	-69.4	-177.6	-48.9	0	0	109.6	T249 H251	Q246-T249 VanDerWaalsContact O-O 3.13Å; Q246-H251 HydrophobicContact CB-CB 4.07Å; Q246-H251 PolarHBondContact OE1-CD2 2.96Å; Q246-H251 PolarHBondContact OE1-CE1 2.63Å; Q246-H251 PolarHBondContact OE1-ND1 3.02Å; Q246-H251 PolarHBondContact OE1-NE2 3Å
247	S	93.6	Very high	94.1	Very high	11 Å²	11	28.7 Å²	28.7	8%	0.077	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.2	-168.3	-52.2	0	0	0	0	114.6	T249 P623 D624	S247-T249 VanDerWaalsContact C-N 3.27Å; S247-T249 PolarHBondContact O-N 2.63Å; S247-P623 WeakPolarHBondContact O-CB 3.04Å; S247-D624 WeakPolarHBondContact CB-OD1 3.35Å; S247-D624 PolarHBondContact OG-OD1 3.36Å
248	E	90.5	Very high	94.2	Very high	140 Å²	140	28.7 Å²	28.7	65%	0.654	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.8	-179.5	-62.6	-162.1	156.2	0	0	113.1	Q224 P623	Q224-E248 PolarHBondContact NE2-O 3.45Å; E248-P623 HydrophobicContact CG-CG 4.35Å
249	T	89.6	Confident	94.2	Very high	84 Å²	84	28.6 Å²	28.6	52%	0.515	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	166.1	179.7	65.8	0	0	0	0	110.1	Q246 S247 H251	Q246-T249 VanDerWaalsContact O-O 3.13Å; S247-T249 VanDerWaalsContact C-N 3.27Å; S247-T249 PolarHBondContact O-N 2.63Å; T249-H251 PolarHBondContact O-N 2.97Å
250	E	85.2	Confident	94.3	Very high	61 Å²	61	28.2 Å²	28.2	29%	0.285	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	70.8	171.2	-165.5	-175.8	-162.7	0	0	109.9	Q224 K234 W236 R252	Q224-E250 HydrophobicContact CG-CB 4.41Å; K234-E250 IonicContact NZ-OE1 2.94Å; K234-E250 PolarHBondContact NZ-OE1 2.72Å; K234-E250 IonicContact NZ-OE2 3.17Å; K234-E250 PolarHBondContact NZ-OE2 2.77Å; W236-E250 HydrophobicContact CH2-CG 4.17Å; W236-E250 WeakPolarHBondContact CH2-OE1 3.33Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 HydrophobicContact CG-CG 4.03Å; E250-R252 PolarHBondContact O-N 3.23Å
251	H	87.2	Confident	94.3	Very high	49 Å²	49	28.1 Å²	28.1	23%	0.227	14%	0.14	C	C	.	.			trans	-68.4	-28.9	-176.7	-170.2	-91.5	0	0	0	112.3	Q246 T249 G253 W546	Q246-H251 HydrophobicContact CB-CB 4.07Å; Q246-H251 PolarHBondContact OE1-CD2 2.96Å; Q246-H251 PolarHBondContact OE1-CE1 2.63Å; Q246-H251 PolarHBondContact OE1-ND1 3.02Å; Q246-H251 PolarHBondContact OE1-NE2 3Å; T249-H251 PolarHBondContact O-N 2.97Å; H251-G253 PolarHBondContact ND1-N 3.23Å; H251-G253 PolarHBondContact O-N 3.18Å; H251-W546 AromaticContact CE1-CH2 3.09Å; H251-W546 WeakPolarHBondContact CE1-CH2 3.47Å; H251-W546 AromaticContact CE1-CZ2 3.34Å; H251-W546 WeakPolarHBondContact CE1-CZ2 3.34Å; H251-W546 AromaticContact CE1-CZ3 3.63Å; H251-W546 AromaticContact ND1-CH2 3.59Å; H251-W546 AromaticContact ND1-CZ2 3.67Å; H251-W546 AromaticContact NE2-CH2 3.93Å
252	R	91.9	Very high	94.4	Very high	56 Å²	56	27.2 Å²	27.2	21%	0.211	14%	0.137	C	C	.	.			trans	62.2	1.6	-178.9	-49.1	176.5	-74.4	141.8	4.4	114.8	N221 A222 T235 W236 P237 E250 E541	N221-R252 PolarHBondContact ND2-O 3.14Å; A222-R252 WeakPolarHBondContact O-CA 3.44Å; A222-R252 PolarHBondContact O-N 3.45Å; T235-R252 PolarHBondContact O-NH1 2.78Å; W236-R252 HydrophobicContact CD2-CG 4.47Å; W236-R252 HydrophobicContact CE3-CB 3.78Å; W236-R252 HydrophobicContact CE3-CG 3.84Å; W236-R252 HydrophobicContact CH2-CG 3.81Å; W236-R252 HydrophobicContact CZ2-CG 4.43Å; W236-R252 HydrophobicContact CZ3-CB 3.8Å; W236-R252 HydrophobicContact CZ3-CG 3.46Å; W236-R252 VanDerWaalsContact CZ3-CG 3.46Å; P237-R252 VanDerWaalsContact CD-O 3.31Å; P237-R252 WeakPolarHBondContact CD-O 3.26Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 HydrophobicContact CG-CG 4.03Å; E250-R252 PolarHBondContact O-N 3.23Å; R252-E541 IonicContact NH2-OE1 3.99Å; R252-E541 PolarHBondContact NH2-OE1 2.81Å
253	G	92.2	Very high	94.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	13%	0.131	C	C	.	.			trans	-56.5	139.1	-179.3	0	0	0	0	0	112.1	N221 A222 H251	N221-G253 WeakPolarHBondContact CA-O 3.12Å; N221-G253 PolarHBondContact ND2-O 3.06Å; A222-G253 PolarHBondContact N-O 2.95Å; H251-G253 PolarHBondContact ND1-N 3.23Å; H251-G253 PolarHBondContact O-N 3.18Å
254	N	95.6	Very high	94.7	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.011	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-66.4	139.5	169.4	53.4	-54.9	0	0	0	111.1	N221 P237 F239 R241 W546	N221-N254 WeakPolarHBondContact ND2-CA 3.5Å; N221-N254 PolarHBondContact ND2-N 3.3Å; P237-N254 HydrophobicContact CB-CB 4.35Å; P237-N254 HydrophobicContact CG-CB 4.29Å; F239-N254 WeakPolarHBondContact O-CB 3.43Å; F239-N254 PolarHBondContact O-ND2 3.49Å; R241-N254 WeakPolarHBondContact CB-ND2 3.17Å; N254-W546 PolarHBondContact OD1-NE1 3.27Å
255	L	96.5	Very high	94.8	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.052	12%	0.119	C	C	.	.			trans	-116.3	-136.7	-179.2	-52.8	175	0	0	0	109.3	E220 S240 R241 Q243 P245	E220-L255 HydrophobicContact CB-CB 4.37Å; E220-L255 HydrophobicContact CG-CB 3.96Å; E220-L255 HydrophobicContact CG-CD1 4.2Å; E220-L255 WeakPolarHBondContact O-CB 3.22Å; E220-L255 PolarHBondContact O-N 3.3Å; S240-L255 CarbonylContact C-O 3.32Å; S240-L255 WeakPolarHBondContact CA-O 3.14Å; R241-L255 PolarHBondContact N-O 2.95Å; R241-L255 CarbonylContact O-C 3.31Å; Q243-L255 HydrophobicContact CB-CD2 4.48Å; Q243-L255 HydrophobicContact CG-CD2 4.38Å; Q243-L255 WeakPolarHBondContact O-CD2 3.27Å; P245-L255 HydrophobicContact CB-CD1 3.86Å; P245-L255 HydrophobicContact CB-CD2 4.33Å
256	Y	97.9	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-84.2	-39.1	-160.1	-57.7	-70.8	0	0	0	114.4	E220 S240 R241 Q243 E501 R601 S602 D617	E220-Y256 WeakPolarHBondContact OE1-CD2 3.41Å; E220-Y256 WeakPolarHBondContact OE2-CB 3.38Å; E220-Y256 PolarHBondContact OE2-N 3.45Å; S240-Y256 WeakPolarHBondContact CB-O 3.2Å; R241-Y256 WeakPolarHBondContact O-CD1 3.43Å; Q243-Y256 WeakPolarHBondContact O-CE2 3.33Å; Q243-Y256 VanDerWaalsContact O-CZ 3.24Å; Q243-Y256 PolarHBondContact O-OH 3.19Å; Y256-E501 WeakPolarHBondContact CB-OE1 3.37Å; Y256-E501 WeakPolarHBondContact O-CG 3.46Å; Y256-R601 HydrophobicContact CD1-CG 3.56Å; Y256-R601 VanDerWaalsContact CD1-NE 3.34Å; Y256-R601 HydrophobicContact CD2-CG 4.35Å; Y256-R601 VanDerWaalsContact CE1-CD 3.47Å; Y256-R601 HydrophobicContact CE1-CG 4.11Å; Y256-R601 HydrophobicContact CG-CG 3.65Å; Y256-S602 PolarHBondContact O-OG 3.37Å; Y256-D617 PolarHBondContact OH-N 2.86Å
257	G	98	Very high	95.1	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	15%	0.145	C	C	.	.			trans	-103.9	163.3	-178.7	0	0	0	0	0	114.3	E220 T603	E220-G257 WeakPolarHBondContact CB-O 3.44Å; E220-G257 WeakPolarHBondContact OE2-CA 3.42Å; E220-G257 PolarHBondContact OE2-N 3.19Å; G257-T603 VanDerWaalsContact CA-O 3.26Å; G257-T603 WeakPolarHBondContact CA-O 3.21Å
258	V	98.6	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.			trans	-132.5	109.2	177.6	173.1	0	0	0	0	109.7	M238 S574 T603 F604 P605	M238-V258 HydrophobicContact CB-CG1 4.15Å; V258-S574 WeakPolarHBondContact CG2-OG 3.46Å; V258-T603 PolarHBondContact N-O 3.44Å; V258-F604 HydrophobicContact CB-CD2 4.02Å; V258-F604 HydrophobicContact CB-CE2 4.29Å; V258-F604 HydrophobicContact CG1-CD2 4.11Å; V258-F604 HydrophobicContact CG1-CE2 3.86Å; V258-F604 WeakPolarHBondContact O-CD2 3.39Å; V258-P605 WeakPolarHBondContact O-CD 3.23Å
259	H	98.6	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.			trans	-127.6	86.7	-177.3	-65.5	-75.9	0	0	0	110.9	F218 G219 F261 T603 F635 F638	F218-H259 CarbonylContact C-O 3.48Å; F218-H259 WeakPolarHBondContact CA-O 3.4Å; G219-H259 PolarHBondContact N-O 3.25Å; H259-F261 PolarHBondContact O-N 2.72Å; H259-T603 PolarHBondContact NE2-OG1 2.57Å; H259-F635 AromaticContact NE2-CE1 3.61Å; H259-F638 HydrophobicContact CB-CB 4.34Å; H259-F638 HydrophobicContact CB-CD1 3.63Å; H259-F638 HydrophobicContact CB-CD2 3.76Å; H259-F638 HydrophobicContact CB-CE1 3.76Å; H259-F638 HydrophobicContact CB-CE2 3.88Å; H259-F638 HydrophobicContact CB-CG 3.64Å; H259-F638 HydrophobicContact CB-CZ 3.89Å; H259-F638 AromaticContact CD2-CD2 3.55Å; H259-F638 AromaticContact CD2-CG 3.99Å; H259-F638 AromaticContact CG-CD2 3.55Å; H259-F638 AromaticContact CG-CG 3.54Å; H259-F638 AromaticContact ND1-CG 3.89Å
260	P	98.5	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.			trans	-78.2	48.9	-176.2	33.3	-38.2	0	0	0	113.2	M238 L275 F276 Y284	M238-P260 HydrophobicContact CE-CB 4.49Å; M238-P260 HydrophobicContact SD-CB 4.11Å; P260-L275 HydrophobicContact CG-CD1 4.17Å; P260-F276 HydrophobicContact CB-CB 4.31Å; P260-F276 WeakPolarHBondContact CG-O 3.46Å; P260-F276 PolarHBondContact O-N 3.4Å; P260-Y284 PolarHBondContact O-OH 3.32Å
261	F	98.7	Very high	96.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.4	-179.6	170.3	-98.4	0	0	0	111.4	F218 H259 M263 V274 L275 F306 V314 I315 Y318 M637 F638	F218-F261 VanDerWaalsContact CA-O 3.24Å; F218-F261 WeakPolarHBondContact CA-O 3.17Å; F218-F261 WeakPolarHBondContact CB-O 3.1Å; F218-F261 PolarHBondContact N-O 3.17Å; H259-F261 PolarHBondContact O-N 2.72Å; F261-M263 HydrophobicContact CE1-CE 4.42Å; F261-M263 HydrophobicContact CZ-CE 4.24Å; F261-V274 WeakPolarHBondContact CA-O 3.49Å; F261-L275 HydrophobicContact CB-CD1 4.13Å; F261-L275 HydrophobicContact CD2-CB 4.22Å; F261-F306 HydrophobicContact CD2-CD2 4.43Å; F261-F306 HydrophobicContact CD2-CE2 4.13Å; F261-F306 AromaticContact CE2-CD2 3.76Å; F261-F306 HydrophobicContact CE2-CD2 3.76Å; F261-F306 AromaticContact CE2-CE2 3.86Å; F261-F306 HydrophobicContact CE2-CE2 3.86Å; F261-V314 HydrophobicContact CZ-CG1 4.07Å; F261-I315 HydrophobicContact CE1-CD1 3.87Å; F261-I315 HydrophobicContact CZ-CD1 4.1Å; F261-Y318 HydrophobicContact CB-CE1 4.31Å; F261-Y318 HydrophobicContact CB-CE2 4.39Å; F261-Y318 HydrophobicContact CD1-CD1 4.1Å; F261-Y318 AromaticContact CD1-CE1 3.98Å; F261-Y318 HydrophobicContact CD1-CE1 3.98Å; F261-Y318 HydrophobicContact CD2-CD1 4.12Å; F261-Y318 AromaticContact CD2-CD2 3.95Å; F261-Y318 HydrophobicContact CD2-CD2 3.95Å; F261-Y318 HydrophobicContact CD2-CE1 4.25Å; F261-Y318 HydrophobicContact CD2-CE2 4.09Å; F261-Y318 AromaticContact CD2-CG 3.95Å; F261-Y318 HydrophobicContact CD2-CG 3.95Å; F261-Y318 HydrophobicContact CE1-CD1 4.05Å; F261-Y318 HydrophobicContact CE1-CE1 4.38Å; F261-Y318 HydrophobicContact CE2-CD1 4.05Å; F261-Y318 HydrophobicContact CE2-CD2 4.16Å; F261-Y318 AromaticContact CE2-CG 3.79Å; F261-Y318 HydrophobicContact CE2-CG 3.79Å; F261-Y318 HydrophobicContact CG-CD1 4.13Å; F261-Y318 HydrophobicContact CG-CD2 4.5Å; F261-Y318 AromaticContact CG-CE1 3.91Å; F261-Y318 HydrophobicContact CG-CE1 3.91Å; F261-Y318 HydrophobicContact CG-CE2 4.29Å; F261-Y318 HydrophobicContact CG-CG 4.42Å; F261-Y318 AromaticContact CG-CZ 3.98Å; F261-Y318 HydrophobicContact CZ-CD1 4.02Å; F261-Y318 HydrophobicContact CZ-CG 4.13Å; F261-M637 HydrophobicContact CE1-CB 4.46Å; F261-M637 HydrophobicContact CE1-CE 4.07Å; F261-F638 HydrophobicContact CD1-CD1 4.45Å
262	Y	98.5	Very high	97	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.02	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	159.7	176.2	74.7	-98.6	0	0	0	112.1	L210 L215 Y216 T264 G273 V274 F276 Y284 L292	L210-Y262 HydrophobicContact CD2-CE2 3.88Å; L215-Y262 HydrophobicContact CD1-CD2 3.65Å; L215-Y262 HydrophobicContact CD1-CE2 4.47Å; L215-Y262 HydrophobicContact CD1-CG 4.17Å; Y216-Y262 WeakPolarHBondContact O-CA 3.39Å; Y262-T264 HydrophobicContact CE2-CG2 4.43Å; Y262-G273 CarbonylContact O-C 3.5Å; Y262-G273 VanDerWaalsContact O-CA 3.23Å; Y262-G273 WeakPolarHBondContact O-CA 3.38Å; Y262-V274 HydrophobicContact CD1-CB 4.11Å; Y262-V274 HydrophobicContact CE1-CB 3.5Å; Y262-V274 VanDerWaalsContact CE1-CB 3.5Å; Y262-V274 HydrophobicContact CE1-CG1 3.92Å; Y262-V274 HydrophobicContact CE1-CG2 4.16Å; Y262-V274 HydrophobicContact CE2-CB 4.14Å; Y262-V274 HydrophobicContact CE2-CG2 4.09Å; Y262-V274 PolarHBondContact N-O 2.63Å; Y262-V274 PolarHBondContact O-N 3.36Å; Y262-V274 WeakPolarHBondContact OH-CG2 3.32Å; Y262-F276 HydrophobicContact CE1-CE2 4.17Å; Y262-Y284 HydrophobicContact CD1-CE1 4.27Å; Y262-Y284 HydrophobicContact CE1-CE1 4.46Å; Y262-L292 HydrophobicContact CD1-CD2 3.46Å; Y262-L292 VanDerWaalsContact CD1-CD2 3.46Å; Y262-L292 HydrophobicContact CD2-CD2 4.28Å; Y262-L292 HydrophobicContact CE1-CD2 3.42Å; Y262-L292 VanDerWaalsContact CE1-CD2 3.42Å; Y262-L292 HydrophobicContact CE2-CD2 4.27Å; Y262-L292 HydrophobicContact CG-CD2 3.9Å
263	M	98.6	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135	175.3	-174.4	-174.8	-55.1	0	0	111.5	Y216 F261 A271 C272 P311 V314 I315 M637 F735	Y216-M263 PolarHBondContact N-O 2.8Å; Y216-M263 PolarHBondContact O-N 2.94Å; F261-M263 HydrophobicContact CE1-CE 4.42Å; F261-M263 HydrophobicContact CZ-CE 4.24Å; M263-A271 HydrophobicContact CG-CB 4.13Å; M263-A271 HydrophobicContact SD-CB 3.93Å; M263-C272 CarbonylContact C-O 3.57Å; M263-C272 VanDerWaalsContact CA-O 3.27Å; M263-C272 WeakPolarHBondContact CA-O 3.14Å; M263-C272 WeakPolarHBondContact CG-O 3.06Å; M263-P311 HydrophobicContact SD-CB 3.74Å; M263-P311 HydrophobicContact SD-CG 4.47Å; M263-V314 HydrophobicContact CE-CB 3.68Å; M263-V314 HydrophobicContact CE-CG1 3.49Å; M263-V314 VanDerWaalsContact CE-CG1 3.49Å; M263-V314 HydrophobicContact CG-CG1 4.25Å; M263-V314 HydrophobicContact SD-CB 4.29Å; M263-V314 HydrophobicContact SD-CG1 4.32Å; M263-I315 HydrophobicContact CE-CD1 3.34Å; M263-I315 HydrophobicContact CE-CG1 3.71Å; M263-M637 HydrophobicContact CB-CE 4.08Å; M263-M637 HydrophobicContact CE-CE 4.42Å; M263-F735 HydrophobicContact CE-CE2 4.24Å; M263-F735 HydrophobicContact CE-CZ 4.35Å; M263-F735 HydrophobicContact SD-CE1 4.35Å; M263-F735 HydrophobicContact SD-CE2 4.29Å; M263-F735 HydrophobicContact SD-CZ 3.95Å
264	T	98.3	Very high	97.6	Very high	4 Å²	4	19 Å²	19	3%	0.025	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.8	166.6	57.3	0	0	0	0	111	L210 S211 V214 L215 Y262 A271 C272	L210-T264 HydrophobicContact CB-CG2 4.02Å; L210-T264 HydrophobicContact CD2-CG2 3.73Å; L210-T264 HydrophobicContact CG-CG2 4.33Å; S211-T264 PolarHBondContact OG-OG1 3.49Å; V214-T264 VanDerWaalsContact O-CA 3.3Å; V214-T264 WeakPolarHBondContact O-CA 3.3Å; L215-T264 HydrophobicContact CD1-CG2 4.06Å; Y262-T264 HydrophobicContact CE2-CG2 4.43Å; T264-A271 CarbonylContact O-C 3.56Å; T264-A271 WeakPolarHBondContact O-CA 3.42Å; T264-A271 WeakPolarHBondContact O-CB 3.4Å; T264-C272 PolarHBondContact N-O 3.44Å; T264-C272 PolarHBondContact O-N 2.7Å
265	L	98.3	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.6	174.6	174.4	58.3	0	0	0	110.4	S212 V214 Y216 K270 P311 P738 Y744	S212-L265 WeakPolarHBondContact CB-O 3.39Å; S212-L265 PolarHBondContact OG-O 2.95Å; V214-L265 HydrophobicContact CB-CB 4.21Å; V214-L265 WeakPolarHBondContact CB-O 3.15Å; V214-L265 HydrophobicContact CG1-CB 3.98Å; V214-L265 HydrophobicContact CG1-CD2 4.45Å; V214-L265 PolarHBondContact O-N 2.92Å; Y216-L265 HydrophobicContact CE2-CB 4.12Å; Y216-L265 HydrophobicContact CE2-CD2 4.13Å; L265-K270 WeakPolarHBondContact CD1-O 3.34Å; L265-P311 HydrophobicContact CD1-CG 3.91Å; L265-P738 HydrophobicContact CD1-CB 3.91Å; L265-Y744 HydrophobicContact CD2-CD1 3.89Å; L265-Y744 HydrophobicContact CD2-CE1 3.54Å; L265-Y744 HydrophobicContact CG-CE1 4.24Å
266	E	96.9	Very high	97.9	Very high	26 Å²	26	18.5 Å²	18.5	12%	0.121	9%	0.09	C	C	.	.			trans	-83.2	158.6	180	-69.6	159.6	-148	0	0	111.7	R187 S211 D268 G269 K270 Y744	R187-E266 IonicContact CZ-OE1 3.77Å; R187-E266 VanDerWaalsContact CZ-OE1 3.3Å; R187-E266 IonicContact CZ-OE2 2.69Å; R187-E266 VanDerWaalsContact NE-CD 3.35Å; R187-E266 IonicContact NE-OE1 3.64Å; R187-E266 PolarHBondContact NE-OE1 3.42Å; R187-E266 IonicContact NE-OE2 2.76Å; R187-E266 PolarHBondContact NE-OE2 3.19Å; R187-E266 IonicContact NH2-OE1 3.15Å; R187-E266 PolarHBondContact NH2-OE1 2.85Å; R187-E266 IonicContact NH2-OE2 3.85Å; S211-E266 VanDerWaalsContact CB-OE1 3.26Å; S211-E266 WeakPolarHBondContact CB-OE1 3.14Å; S211-E266 PolarHBondContact OG-OE1 2.8Å; E266-D268 PolarHBondContact O-N 3.02Å; E266-G269 PolarHBondContact O-N 3.06Å; E266-K270 HydrophobicContact CB-CB 4.47Å; E266-K270 WeakPolarHBondContact CB-O 3.33Å; E266-K270 PolarHBondContact N-O 3.03Å; E266-Y744 PolarHBondContact O-OH 2.65Å
267	E	93.4	Very high	97.9	Very high	175 Å²	175	19.1 Å²	19.1	82%	0.818	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.9	-178.7	-65.2	-173.2	164.1	0	0	114	G269	E267-G269 PolarHBondContact O-N 3.13Å
268	D	95.6	Very high	98	Very high	85 Å²	85	19.2 Å²	19.2	46%	0.455	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.5	176.1	74.5	-10.2	0	0	0	113.2	E266 K270	E266-D268 PolarHBondContact O-N 3.02Å; D268-K270 VanDerWaalsContact C-N 3.33Å; D268-K270 VanDerWaalsContact OD1-CB 3.26Å; D268-K270 WeakPolarHBondContact OD1-CB 3.31Å; D268-K270 WeakPolarHBondContact OD1-CG 3.49Å; D268-K270 PolarHBondContact OD1-N 3.02Å; D268-K270 WeakPolarHBondContact OD2-CD 3.36Å; D268-K270 VanDerWaalsContact OD2-CE 3.22Å; D268-K270 WeakPolarHBondContact OD2-CE 3.42Å; D268-K270 IonicContact OD2-NZ 3.89Å; D268-K270 PolarHBondContact OD2-NZ 2.78Å
269	G	97	Very high	97.9	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	9%	0.093	C	C	.	.	S	Bend	trans	83.3	4.1	-178.9	0	0	0	0	0	114.5	E266 E267 P738	E266-G269 PolarHBondContact O-N 3.06Å; E267-G269 PolarHBondContact O-N 3.13Å; G269-P738 WeakPolarHBondContact CA-O 3.44Å
270	K	97.8	Very high	97.9	Very high	81 Å²	81	19.2 Å²	19.2	35%	0.352	9%	0.093	S	C	.	.			trans	-76	151.4	171.3	-67.9	177.4	-169.4	137.8	0	111.5	L265 E266 D268 P309	L265-K270 WeakPolarHBondContact CD1-O 3.34Å; E266-K270 HydrophobicContact CB-CB 4.47Å; E266-K270 WeakPolarHBondContact CB-O 3.33Å; E266-K270 PolarHBondContact N-O 3.03Å; D268-K270 VanDerWaalsContact C-N 3.33Å; D268-K270 VanDerWaalsContact OD1-CB 3.26Å; D268-K270 WeakPolarHBondContact OD1-CB 3.31Å; D268-K270 WeakPolarHBondContact OD1-CG 3.49Å; D268-K270 PolarHBondContact OD1-N 3.02Å; D268-K270 WeakPolarHBondContact OD2-CD 3.36Å; D268-K270 VanDerWaalsContact OD2-CE 3.22Å; D268-K270 WeakPolarHBondContact OD2-CE 3.42Å; D268-K270 IonicContact OD2-NZ 3.89Å; D268-K270 PolarHBondContact OD2-NZ 2.78Å; K270-P309 CarbonylContact C-O 3.59Å; K270-P309 WeakPolarHBondContact CA-O 3.4Å; K270-P309 HydrophobicContact CG-CB 4.29Å
271	A	98.2	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.8	177.2	0	0	0	0	0	111.5	R187 M263 T264 P309 P311 V314	R187-A271 PolarHBondContact NH2-O 2.87Å; M263-A271 HydrophobicContact CG-CB 4.13Å; M263-A271 HydrophobicContact SD-CB 3.93Å; T264-A271 CarbonylContact O-C 3.56Å; T264-A271 WeakPolarHBondContact O-CA 3.42Å; T264-A271 WeakPolarHBondContact O-CB 3.4Å; A271-P309 PolarHBondContact N-O 2.95Å; A271-P311 HydrophobicContact CB-CB 4.28Å; A271-P311 HydrophobicContact CB-CG 3.86Å; A271-V314 HydrophobicContact CB-CG2 3.78Å
272	C	98	Very high	97.9	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.4	172.1	-179.7	0	0	0	0	108.3	L189 M263 T264 F306	L189-C272 HydrophobicContact CD2-CB 4.31Å; L189-C272 PolarHBondContact O-SG 3Å; M263-C272 CarbonylContact C-O 3.57Å; M263-C272 VanDerWaalsContact CA-O 3.27Å; M263-C272 WeakPolarHBondContact CA-O 3.14Å; M263-C272 WeakPolarHBondContact CG-O 3.06Å; T264-C272 PolarHBondContact N-O 3.44Å; T264-C272 PolarHBondContact O-N 2.7Å; C272-F306 CarbonylContact C-O 3.59Å; C272-F306 WeakPolarHBondContact CA-O 3.23Å; C272-F306 PolarHBondContact SG-O 2.94Å
273	G	98.5	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.2	177.1	0	0	0	0	0	112.1	Y262 I305 F306 V314	Y262-G273 CarbonylContact O-C 3.5Å; Y262-G273 VanDerWaalsContact O-CA 3.23Å; Y262-G273 WeakPolarHBondContact O-CA 3.38Å; G273-I305 WeakPolarHBondContact O-CA 3.33Å; G273-F306 PolarHBondContact N-O 2.92Å; G273-F306 PolarHBondContact O-N 2.83Å; G273-V314 VanDerWaalsContact CA-CG1 3.5Å
274	V	98.8	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.1	172.9	-179.7	0	0	0	0	110.3	F190 F261 Y262 F276 Y304 I305	F190-V274 HydrophobicContact CD2-CG2 4.12Å; F190-V274 HydrophobicContact CE2-CG1 4.44Å; F261-V274 WeakPolarHBondContact CA-O 3.49Å; Y262-V274 HydrophobicContact CD1-CB 4.11Å; Y262-V274 HydrophobicContact CE1-CB 3.5Å; Y262-V274 VanDerWaalsContact CE1-CB 3.5Å; Y262-V274 HydrophobicContact CE1-CG1 3.92Å; Y262-V274 HydrophobicContact CE1-CG2 4.16Å; Y262-V274 HydrophobicContact CE2-CB 4.14Å; Y262-V274 HydrophobicContact CE2-CG2 4.09Å; Y262-V274 PolarHBondContact N-O 2.63Å; Y262-V274 PolarHBondContact O-N 3.36Å; Y262-V274 WeakPolarHBondContact OH-CG2 3.32Å; V274-F276 HydrophobicContact CG1-CD2 4.2Å; V274-F276 HydrophobicContact CG1-CE2 4Å; V274-Y304 CarbonylContact C-O 3.57Å; V274-Y304 VanDerWaalsContact CA-O 3.28Å; V274-Y304 WeakPolarHBondContact CA-O 3.5Å; V274-I305 HydrophobicContact CG1-CG1 4.45Å; V274-I305 HydrophobicContact CG2-CG1 4.1Å; V274-I305 HydrophobicContact CG2-CG2 4.26Å
275	L	98.8	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.9	169.9	172.3	71.9	0	0	0	109.5	P260 F261 W277 M303 Y304 F306 Y318 L321 I322 P605	P260-L275 HydrophobicContact CG-CD1 4.17Å; F261-L275 HydrophobicContact CB-CD1 4.13Å; F261-L275 HydrophobicContact CD2-CB 4.22Å; L275-W277 HydrophobicContact CD2-CE3 4.05Å; L275-M303 WeakPolarHBondContact O-CA 3.37Å; L275-Y304 HydrophobicContact CD2-CD2 4.31Å; L275-Y304 PolarHBondContact N-O 3.12Å; L275-Y304 PolarHBondContact O-N 3.29Å; L275-F306 HydrophobicContact CB-CE2 3.94Å; L275-F306 HydrophobicContact CB-CZ 4.42Å; L275-Y318 HydrophobicContact CB-CE2 4.37Å; L275-Y318 HydrophobicContact CD1-CE2 4.05Å; L275-Y318 HydrophobicContact CD2-CE2 3.97Å; L275-Y318 HydrophobicContact CG-CE2 4.35Å; L275-L321 HydrophobicContact CD2-CD2 3.72Å; L275-I322 HydrophobicContact CD2-CG2 4.22Å; L275-P605 HydrophobicContact CD1-CG 4.2Å
276	F	98.7	Very high	97.7	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.013	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110	163	-77.1	-94.4	0	0	0	110.3	F190 I206 P260 Y262 V274 N278 Y284 Y294 D302 M303	F190-F276 HydrophobicContact CE2-CZ 4.35Å; F190-F276 HydrophobicContact CZ-CZ 4.21Å; I206-F276 HydrophobicContact CG2-CE1 3.54Å; I206-F276 HydrophobicContact CG2-CZ 3.67Å; P260-F276 HydrophobicContact CB-CB 4.31Å; P260-F276 WeakPolarHBondContact CG-O 3.46Å; P260-F276 PolarHBondContact O-N 3.4Å; Y262-F276 HydrophobicContact CE1-CE2 4.17Å; V274-F276 HydrophobicContact CG1-CD2 4.2Å; V274-F276 HydrophobicContact CG1-CE2 4Å; F276-N278 PolarHBondContact O-N 3.21Å; F276-Y284 HydrophobicContact CD2-CE1 4.03Å; F276-Y284 WeakPolarHBondContact CD2-OH 3.17Å; F276-Y284 HydrophobicContact CE2-CE1 4.01Å; F276-Y294 HydrophobicContact CB-CD2 4.31Å; F276-Y294 HydrophobicContact CB-CE1 4.13Å; F276-Y294 HydrophobicContact CB-CE2 3.77Å; F276-Y294 AromaticContact CD1-CD1 3.31Å; F276-Y294 HydrophobicContact CD1-CD1 3.31Å; F276-Y294 HydrophobicContact CD1-CD2 4.21Å; F276-Y294 AromaticContact CD1-CE1 3.34Å; F276-Y294 HydrophobicContact CD1-CE1 3.34Å; F276-Y294 HydrophobicContact CD1-CE2 4.22Å; F276-Y294 AromaticContact CD1-CG 3.76Å; F276-Y294 HydrophobicContact CD1-CG 3.76Å; F276-Y294 AromaticContact CD1-CZ 3.8Å; F276-Y294 HydrophobicContact CD2-CD1 4.46Å; F276-Y294 HydrophobicContact CD2-CD2 4.05Å; F276-Y294 HydrophobicContact CD2-CE2 4.37Å; F276-Y294 HydrophobicContact CD2-CG 4.07Å; F276-Y294 AromaticContact CE1-CD1 3.33Å; F276-Y294 HydrophobicContact CE1-CD1 3.33Å; F276-Y294 AromaticContact CE1-CE1 3.86Å; F276-Y294 HydrophobicContact CE1-CE1 3.86Å; F276-Y294 AromaticContact CE1-CG 3.71Å; F276-Y294 HydrophobicContact CE1-CG 3.71Å; F276-Y294 HydrophobicContact CE2-CD1 4.45Å; F276-Y294 HydrophobicContact CE2-CD2 4.35Å; F276-Y294 AromaticContact CE2-CG 3.99Å; F276-Y294 HydrophobicContact CE2-CG 3.99Å; F276-Y294 AromaticContact CG-CD1 3.9Å; F276-Y294 HydrophobicContact CG-CD1 3.9Å; F276-Y294 AromaticContact CG-CD2 3.93Å; F276-Y294 HydrophobicContact CG-CD2 3.93Å; F276-Y294 AromaticContact CG-CE1 3.86Å; F276-Y294 HydrophobicContact CG-CE1 3.86Å; F276-Y294 AromaticContact CG-CE2 3.88Å; F276-Y294 HydrophobicContact CG-CE2 3.88Å; F276-Y294 AromaticContact CG-CG 3.92Å; F276-Y294 HydrophobicContact CG-CG 3.92Å; F276-Y294 AromaticContact CG-CZ 3.83Å; F276-Y294 AromaticContact CZ-CD1 3.93Å; F276-Y294 HydrophobicContact CZ-CD1 3.93Å; F276-Y294 AromaticContact CZ-CG 3.82Å; F276-Y294 HydrophobicContact CZ-CG 3.82Å; F276-D302 CarbonylContact C-O 3.56Å; F276-D302 WeakPolarHBondContact CA-O 3.35Å; F276-M303 HydrophobicContact CD1-CG 3.58Å; F276-M303 HydrophobicContact CD1-SD 4.41Å; F276-M303 HydrophobicContact CE1-CG 3.31Å; F276-M303 HydrophobicContact CE1-SD 3.56Å; F276-M303 VanDerWaalsContact CE1-SD 3.56Å; F276-M303 HydrophobicContact CG-CG 4.32Å; F276-M303 HydrophobicContact CZ-CG 3.87Å; F276-M303 HydrophobicContact CZ-SD 3.89Å
277	W	98.5	Very high	97.7	Very high	13 Å²	13	18 Å²	18	5%	0.049	9%	0.087	C	C	.	.			trans	-82.4	79	-177.9	-169.2	-119	0	0	0	111.8	V148 F150 L152 L275 D302 Y304 F604 P605	V148-W277 HydrophobicContact CB-CD2 4.43Å; V148-W277 HydrophobicContact CB-CZ2 4.11Å; V148-W277 HydrophobicContact CG1-CD2 4.46Å; V148-W277 HydrophobicContact CG1-CH2 4.1Å; V148-W277 HydrophobicContact CG1-CZ2 3.43Å; V148-W277 VanDerWaalsContact CG1-CZ2 3.43Å; F150-W277 HydrophobicContact CB-CH2 4.48Å; F150-W277 HydrophobicContact CB-CZ2 4.03Å; L152-W277 HydrophobicContact CD1-CD2 4.1Å; L152-W277 HydrophobicContact CD1-CG 4.18Å; L152-W277 HydrophobicContact CD2-CD2 4.18Å; L152-W277 HydrophobicContact CD2-CE3 4.19Å; L152-W277 HydrophobicContact CD2-CH2 3.67Å; L152-W277 HydrophobicContact CD2-CZ2 3.63Å; L152-W277 HydrophobicContact CD2-CZ3 3.96Å; L152-W277 HydrophobicContact CG-CD2 4.45Å; L152-W277 HydrophobicContact CG-CZ2 4.06Å; L275-W277 HydrophobicContact CD2-CE3 4.05Å; W277-D302 HydrophobicContact CB-CB 4.13Å; W277-D302 PolarHBondContact N-O 3.23Å; W277-Y304 HydrophobicContact CB-CD2 4.37Å; W277-Y304 HydrophobicContact CB-CE2 4.07Å; W277-F604 HydrophobicContact CE3-CE1 4.04Å; W277-F604 HydrophobicContact CH2-CD1 4.27Å; W277-F604 AromaticContact CH2-CE1 3.84Å; W277-F604 HydrophobicContact CH2-CE1 3.84Å; W277-F604 HydrophobicContact CZ3-CD1 4.12Å; W277-F604 AromaticContact CZ3-CE1 3.48Å; W277-F604 HydrophobicContact CZ3-CE1 3.48Å; W277-F604 VanDerWaalsContact CZ3-CE1 3.48Å; W277-F604 HydrophobicContact CZ3-CZ 4.42Å; W277-P605 HydrophobicContact CZ3-CB 4.02Å; W277-P605 HydrophobicContact CZ3-CG 4.39Å
278	N	98.7	Very high	97.7	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.021	6%	0.057	C	C	.	.			trans	-149.5	144.1	-179.8	-168.2	-52.4	0	0	0	109.5	F276 N280 Q282 Y294 T296 G298 V300 F604	F276-N278 PolarHBondContact O-N 3.21Å; N278-N280 WeakPolarHBondContact OD1-CB 3.1Å; N278-N280 PolarHBondContact OD1-N 3.49Å; N278-N280 PolarHBondContact OD1-OD1 2.73Å; N278-Q282 PolarHBondContact O-NE2 2.78Å; N278-Y294 WeakPolarHBondContact CB-OH 3.44Å; N278-T296 PolarHBondContact OD1-OG1 2.74Å; N278-G298 PolarHBondContact ND2-O 3.11Å; N278-V300 PolarHBondContact ND2-N 3.15Å; N278-V300 PolarHBondContact ND2-O 3.38Å; N278-F604 WeakPolarHBondContact O-CZ 3.12Å
279	S	98.4	Very high	97.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.			trans	-117.6	-2.4	-176.7	57.4	0	0	0	0	114.8	Y146 D571	Y146-S279 WeakPolarHBondContact CE1-OG 3.44Å; Y146-S279 PolarHBondContact OH-OG 2.81Å; S279-D571 PolarHBondContact OG-O 2.78Å
280	N	98.6	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-65	164.2	170.2	-66.4	99.6	0	0	0	110.1	N278 Q282 I297 G298 G299 Y570 D571	N278-N280 WeakPolarHBondContact OD1-CB 3.1Å; N278-N280 PolarHBondContact OD1-N 3.49Å; N278-N280 PolarHBondContact OD1-OD1 2.73Å; N280-Q282 PolarHBondContact O-N 2.58Å; N280-I297 HydrophobicContact CB-CG1 4.4Å; N280-G298 VanDerWaalsContact CG-CA 3.47Å; N280-G298 WeakPolarHBondContact OD1-CA 3.44Å; N280-G299 WeakPolarHBondContact OD1-CA 3.48Å; N280-G299 PolarHBondContact OD1-N 2.9Å; N280-Y570 VanDerWaalsContact ND2-CD1 3.34Å; N280-Y570 WeakPolarHBondContact ND2-CD1 3.27Å; N280-Y570 WeakPolarHBondContact ND2-CE1 3.37Å; N280-Y570 PolarHBondContact ND2-O 3.22Å; N280-D571 WeakPolarHBondContact ND2-CA 3.45Å; N280-D571 PolarHBondContact ND2-OD1 3.09Å
281	A	98.1	Very high	97.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-55.9	127.2	171.9	0	0	0	0	0	110.1	F239 I297 T540 L550	F239-A281 HydrophobicContact CB-CB 4.11Å; F239-A281 HydrophobicContact CD2-CB 3.57Å; F239-A281 HydrophobicContact CE2-CB 4.06Å; F239-A281 HydrophobicContact CG-CB 3.88Å; A281-I297 HydrophobicContact CB-CD1 3.67Å; A281-I297 HydrophobicContact CB-CG1 4.01Å; A281-I297 WeakPolarHBondContact O-CG1 3.4Å; A281-I297 PolarHBondContact O-N 3.42Å; A281-I297 VanDerWaalsContact O-N 3.11Å; A281-T540 HydrophobicContact CB-CG2 4.29Å; A281-L550 HydrophobicContact CB-CD1 4.03Å; A281-L550 HydrophobicContact CB-CD2 4.41Å
282	Q	98.3	Very high	97.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168.3	-168.8	62.9	-170.5	-45.9	0	0	110	M238 N278 N280 Y294 R295	M238-Q282 CarbonylContact C-O 3.54Å; M238-Q282 WeakPolarHBondContact CA-O 3.14Å; M238-Q282 HydrophobicContact CB-CG 3.76Å; M238-Q282 HydrophobicContact CE-CG 3.98Å; M238-Q282 PolarHBondContact N-O 3.48Å; M238-Q282 PolarHBondContact O-N 3.11Å; N278-Q282 PolarHBondContact O-NE2 2.78Å; N280-Q282 PolarHBondContact O-N 2.58Å; Q282-Y294 HydrophobicContact CB-CE2 4.07Å; Q282-Y294 HydrophobicContact CG-CE2 4.42Å; Q282-Y294 VanDerWaalsContact OE1-CZ 3.31Å; Q282-Y294 PolarHBondContact OE1-OH 3.4Å; Q282-R295 CarbonylContact C-O 3.48Å; Q282-R295 WeakPolarHBondContact CA-O 3.29Å; Q282-R295 VanDerWaalsContact CB-O 3.25Å; Q282-R295 WeakPolarHBondContact CB-O 3.49Å
283	E	97.9	Very high	97.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158	-177.6	55.1	175.5	-127.9	0	0	111.6	T235 W236 R295 Y538 T540 E541	T235-E283 HydrophobicContact CG2-CB 3.94Å; T235-E283 HydrophobicContact CG2-CG 4.12Å; T235-E283 WeakPolarHBondContact CG2-OE1 2.96Å; W236-E283 WeakPolarHBondContact O-CA 3.2Å; W236-E283 WeakPolarHBondContact O-CB 2.94Å; E283-R295 HydrophobicContact CG-CB 3.85Å; E283-R295 PolarHBondContact N-O 3.2Å; E283-R295 PolarHBondContact O-N 2.82Å; E283-R295 IonicContact OE1-CZ 3Å; E283-R295 IonicContact OE1-NH1 3.08Å; E283-R295 PolarHBondContact OE1-NH1 2.96Å; E283-Y538 VanDerWaalsContact CD-OH 3.27Å; E283-Y538 PolarHBondContact OE1-OH 3.3Å; E283-Y538 PolarHBondContact OE2-OH 3.31Å; E283-T540 WeakPolarHBondContact OE2-CA 3.26Å; E283-T540 WeakPolarHBondContact OE2-CB 3.31Å; E283-E541 PolarHBondContact OE2-N 2.76Å
284	Y	97.8	Very high	97.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.6	167.4	-72.3	-61.6	0	0	0	110.8	F218 T235 W236 M238 P260 Y262 F276 L292 V293 Y294	F218-Y284 HydrophobicContact CB-CD2 3.71Å; F218-Y284 HydrophobicContact CB-CE2 3.47Å; F218-Y284 VanDerWaalsContact CB-CE2 3.47Å; F218-Y284 AromaticContact CD1-CD2 3.74Å; F218-Y284 HydrophobicContact CD1-CD2 3.74Å; F218-Y284 AromaticContact CD1-CE2 3.97Å; F218-Y284 HydrophobicContact CD1-CE2 3.97Å; F218-Y284 AromaticContact CD2-CD2 3.44Å; F218-Y284 HydrophobicContact CD2-CD2 3.44Å; F218-Y284 VanDerWaalsContact CD2-CD2 3.44Å; F218-Y284 HydrophobicContact CD2-CE2 4.15Å; F218-Y284 HydrophobicContact CD2-CG 4.36Å; F218-Y284 HydrophobicContact CE1-CD2 4.16Å; F218-Y284 AromaticContact CE2-CD2 3.91Å; F218-Y284 HydrophobicContact CE2-CD2 3.91Å; F218-Y284 HydrophobicContact CE2-CG 4.42Å; F218-Y284 AromaticContact CG-CD2 3.32Å; F218-Y284 HydrophobicContact CG-CD2 3.32Å; F218-Y284 AromaticContact CG-CE2 3.59Å; F218-Y284 HydrophobicContact CG-CE2 3.59Å; F218-Y284 HydrophobicContact CG-CG 4.39Å; F218-Y284 HydrophobicContact CZ-CD2 4.23Å; T235-Y284 CarbonylContact C-O 3.48Å; T235-Y284 VanDerWaalsContact CA-O 3.27Å; T235-Y284 WeakPolarHBondContact CA-O 3.28Å; W236-Y284 PolarHBondContact N-O 3.05Å; W236-Y284 PolarHBondContact O-N 3.3Å; M238-Y284 HydrophobicContact CE-CD2 3.23Å; M238-Y284 HydrophobicContact CE-CE2 3.37Å; M238-Y284 HydrophobicContact CE-CG 3.99Å; M238-Y284 HydrophobicContact SD-CD2 4.11Å; M238-Y284 HydrophobicContact SD-CE2 4Å; P260-Y284 PolarHBondContact O-OH 3.32Å; Y262-Y284 HydrophobicContact CD1-CE1 4.27Å; Y262-Y284 HydrophobicContact CE1-CE1 4.46Å; F276-Y284 HydrophobicContact CD2-CE1 4.03Å; F276-Y284 WeakPolarHBondContact CD2-OH 3.17Å; F276-Y284 HydrophobicContact CE2-CE1 4.01Å; Y284-L292 HydrophobicContact CD1-CD1 4.14Å; Y284-L292 HydrophobicContact CD1-CD2 3.55Å; Y284-L292 HydrophobicContact CD1-CG 3.7Å; Y284-L292 HydrophobicContact CE1-CD2 3.69Å; Y284-L292 HydrophobicContact CE1-CG 4.31Å; Y284-L292 HydrophobicContact CG-CD1 4.16Å; Y284-L292 HydrophobicContact CG-CD2 4.14Å; Y284-L292 HydrophobicContact CG-CG 4.23Å; Y284-V293 CarbonylContact C-O 3.59Å; Y284-V293 VanDerWaalsContact CA-O 3.3Å; Y284-V293 WeakPolarHBondContact CA-O 3.42Å; Y284-Y294 AromaticContact CD1-CD2 3.87Å; Y284-Y294 HydrophobicContact CD1-CD2 3.87Å; Y284-Y294 HydrophobicContact CD1-CG 4.43Å; Y284-Y294 AromaticContact CE1-CD2 3.39Å; Y284-Y294 HydrophobicContact CE1-CD2 3.39Å; Y284-Y294 HydrophobicContact CE1-CE2 4.37Å; Y284-Y294 AromaticContact CE1-CG 3.98Å; Y284-Y294 HydrophobicContact CE1-CG 3.98Å; Y284-Y294 AromaticContact CZ-CD2 3.86Å
285	T	97.2	Very high	97.4	Very high	8 Å²	8	5.9 Å²	5.9	5%	0.049	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.8	162.6	-56.5	0	0	0	0	109.6	F233 K234 T235 L292 V293 R295	F233-T285 HydrophobicContact CB-CG2 4.47Å; F233-T285 HydrophobicContact CD1-CG2 4.3Å; K234-T285 CarbonylContact O-C 3.44Å; K234-T285 VanDerWaalsContact O-CA 3.28Å; K234-T285 WeakPolarHBondContact O-CA 3.25Å; T235-T285 PolarHBondContact OG1-OG1 2.84Å; T285-L292 WeakPolarHBondContact O-CA 3.44Å; T285-V293 PolarHBondContact N-O 3.5Å; T285-V293 PolarHBondContact O-N 3.37Å; T285-R295 PolarHBondContact OG1-NH1 3.02Å
286	T	96.9	Very high	97.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151	169.3	51.6	0	0	0	0	110.4	L215 F218 L230 F233 K234 W236 S291 L292	L215-T286 HydrophobicContact CD2-CG2 3.87Å; F218-T286 HydrophobicContact CZ-CG2 4.25Å; L230-T286 HydrophobicContact CD2-CG2 3.62Å; F233-T286 VanDerWaalsContact CA-O 3.23Å; F233-T286 WeakPolarHBondContact CA-O 3.43Å; K234-T286 PolarHBondContact N-O 2.73Å; K234-T286 VanDerWaalsContact N-O 3.15Å; K234-T286 PolarHBondContact O-N 3.02Å; K234-T286 PolarHBondContact O-OG1 2.78Å; W236-T286 PolarHBondContact NE1-OG1 2.92Å; T286-S291 CarbonylContact C-O 3.6Å; T286-L292 HydrophobicContact CG2-CD1 3.75Å
287	G	95.9	Very high	97.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.2	176.9	0	0	0	0	0	113.7	L230 G289 P290 S291	L230-G287 CarbonylContact O-C 3.59Å; L230-G287 VanDerWaalsContact O-C 3.29Å; G287-G289 VanDerWaalsContact C-N 3.26Å; G287-G289 PolarHBondContact O-N 3.15Å; G287-P290 WeakPolarHBondContact O-CA 3.34Å; G287-S291 PolarHBondContact N-O 2.9Å; G287-S291 PolarHBondContact O-N 2.81Å
288	P	95	Very high	97.4	Very high	27 Å²	27	5.3 Å²	5.3	18%	0.175	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.2	-169.4	33.2	-39.4	0	0	0	115	H47 Y77 L230 F233 P290	H47-P288 HydrophobicContact CB-CG 4.16Å; H47-P288 WeakPolarHBondContact ND1-CB 3.4Å; H47-P288 VanDerWaalsContact ND1-CG 3.3Å; H47-P288 WeakPolarHBondContact ND1-CG 3.24Å; Y77-P288 HydrophobicContact CG-CG 4.46Å; L230-P288 WeakPolarHBondContact O-CA 3.47Å; L230-P288 WeakPolarHBondContact O-CB 3.41Å; L230-P288 VanDerWaalsContact O-N 3.09Å; F233-P288 HydrophobicContact CD2-CG 4.39Å; F233-P288 VanDerWaalsContact CE2-CD 3.48Å; F233-P288 HydrophobicContact CE2-CG 3.89Å; F233-P288 HydrophobicContact CZ-CG 4.35Å; P288-P290 WeakPolarHBondContact O-CD 3.34Å
289	G	91.6	Very high	97.4	Very high	14 Å²	14	5.3 Å²	5.3	14%	0.144	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	19.9	175.5	0	0	0	0	0	116.3	H47 G287	H47-G289 WeakPolarHBondContact O-CA 3.39Å; H47-G289 PolarHBondContact O-N 3.22Å; G287-G289 VanDerWaalsContact C-N 3.26Å; G287-G289 PolarHBondContact O-N 3.15Å
290	P	95.3	Very high	97.4	Very high	43 Å²	43	5.5 Å²	5.5	28%	0.279	4%	0.038	S	C	.	.	T	Hydrogen-bonded Turn		-20.5	113.4	-98.1	25.3	-38.5	0	0	0	113.6	L210 D213 L230 G287 P288	L210-P290 HydrophobicContact CB-CB 4.3Å; L210-P290 PolarHBondContact N-O 2.93Å; D213-P290 HydrophobicContact CB-CB 4.28Å; L230-P290 HydrophobicContact CD1-CB 3.73Å; G287-P290 WeakPolarHBondContact O-CA 3.34Å; P288-P290 WeakPolarHBondContact O-CD 3.34Å
291	S	97.2	Very high	97.4	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.007	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.8	-175.4	62.6	0	0	0	0	112.5	T208 T286 G287	T208-S291 WeakPolarHBondContact O-CA 3.42Å; T208-S291 WeakPolarHBondContact O-CB 3.34Å; T286-S291 CarbonylContact C-O 3.6Å; G287-S291 PolarHBondContact N-O 2.9Å; G287-S291 PolarHBondContact O-N 2.81Å
292	L	98	Very high	97.4	Very high	3 Å²	3	5.8 Å²	5.8	2%	0.016	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.1	173.4	-163.7	72.6	0	0	0	110.1	A207 T208 L210 L215 F218 Y262 Y284 T285 T286	A207-L292 CarbonylContact C-O 3.59Å; A207-L292 VanDerWaalsContact CA-O 3.31Å; A207-L292 WeakPolarHBondContact CA-O 3.4Å; T208-L292 HydrophobicContact CG2-CB 4.1Å; T208-L292 PolarHBondContact N-O 3.08Å; T208-L292 PolarHBondContact O-N 2.87Å; L210-L292 HydrophobicContact CD1-CB 4.37Å; L210-L292 HydrophobicContact CD2-CB 3.94Å; L210-L292 HydrophobicContact CG-CB 4.29Å; L215-L292 HydrophobicContact CD2-CD1 4.08Å; F218-L292 HydrophobicContact CE1-CD1 4.39Å; F218-L292 HydrophobicContact CZ-CD1 4.48Å; Y262-L292 HydrophobicContact CD1-CD2 3.46Å; Y262-L292 VanDerWaalsContact CD1-CD2 3.46Å; Y262-L292 HydrophobicContact CD2-CD2 4.28Å; Y262-L292 HydrophobicContact CE1-CD2 3.42Å; Y262-L292 VanDerWaalsContact CE1-CD2 3.42Å; Y262-L292 HydrophobicContact CE2-CD2 4.27Å; Y262-L292 HydrophobicContact CG-CD2 3.9Å; Y284-L292 HydrophobicContact CD1-CD1 4.14Å; Y284-L292 HydrophobicContact CD1-CD2 3.55Å; Y284-L292 HydrophobicContact CD1-CG 3.7Å; Y284-L292 HydrophobicContact CE1-CD2 3.69Å; Y284-L292 HydrophobicContact CE1-CG 4.31Å; Y284-L292 HydrophobicContact CG-CD1 4.16Å; Y284-L292 HydrophobicContact CG-CD2 4.14Å; Y284-L292 HydrophobicContact CG-CG 4.23Å; T285-L292 WeakPolarHBondContact O-CA 3.44Å; T286-L292 HydrophobicContact CG2-CD1 3.75Å
293	V	98.4	Very high	97.4	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.024	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.5	173.6	-174.2	0	0	0	0	108	V50 Q205 A207 Y284 T285 R295	V50-V293 HydrophobicContact CG1-CG1 4.1Å; V50-V293 HydrophobicContact CG1-CG2 4Å; V50-V293 HydrophobicContact CG2-CG2 4.48Å; Q205-V293 HydrophobicContact CG-CG1 3.54Å; A207-V293 HydrophobicContact CB-CB 4.33Å; A207-V293 HydrophobicContact CB-CG1 4.32Å; A207-V293 HydrophobicContact CB-CG2 3.88Å; Y284-V293 CarbonylContact C-O 3.59Å; Y284-V293 VanDerWaalsContact CA-O 3.3Å; Y284-V293 WeakPolarHBondContact CA-O 3.42Å; T285-V293 PolarHBondContact N-O 3.5Å; T285-V293 PolarHBondContact O-N 3.37Å; V293-R295 HydrophobicContact CG1-CG 4.37Å
294	Y	98.6	Very high	97.5	Very high	3 Å²	3	6.7 Å²	6.7	1%	0.012	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133	172.2	175.3	-107.6	0	0	0	110.1	Q205 I206 F276 N278 Q282 Y284 T296 L301	Q205-Y294 VanDerWaalsContact CA-O 3.24Å; Q205-Y294 WeakPolarHBondContact CA-O 3.41Å; Q205-Y294 WeakPolarHBondContact CG-O 3.45Å; I206-Y294 HydrophobicContact CG2-CD1 4.22Å; I206-Y294 PolarHBondContact N-O 3.09Å; I206-Y294 PolarHBondContact O-N 2.93Å; F276-Y294 HydrophobicContact CB-CD2 4.31Å; F276-Y294 HydrophobicContact CB-CE1 4.13Å; F276-Y294 HydrophobicContact CB-CE2 3.77Å; F276-Y294 AromaticContact CD1-CD1 3.31Å; F276-Y294 HydrophobicContact CD1-CD1 3.31Å; F276-Y294 HydrophobicContact CD1-CD2 4.21Å; F276-Y294 AromaticContact CD1-CE1 3.34Å; F276-Y294 HydrophobicContact CD1-CE1 3.34Å; F276-Y294 HydrophobicContact CD1-CE2 4.22Å; F276-Y294 AromaticContact CD1-CG 3.76Å; F276-Y294 HydrophobicContact CD1-CG 3.76Å; F276-Y294 AromaticContact CD1-CZ 3.8Å; F276-Y294 HydrophobicContact CD2-CD1 4.46Å; F276-Y294 HydrophobicContact CD2-CD2 4.05Å; F276-Y294 HydrophobicContact CD2-CE2 4.37Å; F276-Y294 HydrophobicContact CD2-CG 4.07Å; F276-Y294 AromaticContact CE1-CD1 3.33Å; F276-Y294 HydrophobicContact CE1-CD1 3.33Å; F276-Y294 AromaticContact CE1-CE1 3.86Å; F276-Y294 HydrophobicContact CE1-CE1 3.86Å; F276-Y294 AromaticContact CE1-CG 3.71Å; F276-Y294 HydrophobicContact CE1-CG 3.71Å; F276-Y294 HydrophobicContact CE2-CD1 4.45Å; F276-Y294 HydrophobicContact CE2-CD2 4.35Å; F276-Y294 AromaticContact CE2-CG 3.99Å; F276-Y294 HydrophobicContact CE2-CG 3.99Å; F276-Y294 AromaticContact CG-CD1 3.9Å; F276-Y294 HydrophobicContact CG-CD1 3.9Å; F276-Y294 AromaticContact CG-CD2 3.93Å; F276-Y294 HydrophobicContact CG-CD2 3.93Å; F276-Y294 AromaticContact CG-CE1 3.86Å; F276-Y294 HydrophobicContact CG-CE1 3.86Å; F276-Y294 AromaticContact CG-CE2 3.88Å; F276-Y294 HydrophobicContact CG-CE2 3.88Å; F276-Y294 AromaticContact CG-CG 3.92Å; F276-Y294 HydrophobicContact CG-CG 3.92Å; F276-Y294 AromaticContact CG-CZ 3.83Å; F276-Y294 AromaticContact CZ-CD1 3.93Å; F276-Y294 HydrophobicContact CZ-CD1 3.93Å; F276-Y294 AromaticContact CZ-CG 3.82Å; F276-Y294 HydrophobicContact CZ-CG 3.82Å; N278-Y294 WeakPolarHBondContact CB-OH 3.44Å; Q282-Y294 HydrophobicContact CB-CE2 4.07Å; Q282-Y294 HydrophobicContact CG-CE2 4.42Å; Q282-Y294 VanDerWaalsContact OE1-CZ 3.31Å; Q282-Y294 PolarHBondContact OE1-OH 3.4Å; Y284-Y294 AromaticContact CD1-CD2 3.87Å; Y284-Y294 HydrophobicContact CD1-CD2 3.87Å; Y284-Y294 HydrophobicContact CD1-CG 4.43Å; Y284-Y294 AromaticContact CE1-CD2 3.39Å; Y284-Y294 HydrophobicContact CE1-CD2 3.39Å; Y284-Y294 HydrophobicContact CE1-CE2 4.37Å; Y284-Y294 AromaticContact CE1-CG 3.98Å; Y284-Y294 HydrophobicContact CE1-CG 3.98Å; Y284-Y294 AromaticContact CZ-CD2 3.86Å; Y294-T296 HydrophobicContact CE1-CG2 3.8Å; Y294-L301 HydrophobicContact CD1-CD2 3.88Å; Y294-L301 HydrophobicContact CE1-CD2 3.8Å
295	R	98.4	Very high	97.5	Very high	1 Å²	1	6.7 Å²	6.7	0%	0.004	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.4	170.8	-59.6	-178.2	-170.3	100.9	7.6	111.2	F203 L204 Q205 Q282 E283 T285 V293	F203-R295 HydrophobicContact CZ-CG 4.38Å; L204-R295 VanDerWaalsContact O-CA 3.27Å; L204-R295 WeakPolarHBondContact O-CA 3.33Å; Q205-R295 HydrophobicContact CB-CG 4.19Å; Q205-R295 HydrophobicContact CG-CG 3.85Å; Q282-R295 CarbonylContact C-O 3.48Å; Q282-R295 WeakPolarHBondContact CA-O 3.29Å; Q282-R295 VanDerWaalsContact CB-O 3.25Å; Q282-R295 WeakPolarHBondContact CB-O 3.49Å; E283-R295 HydrophobicContact CG-CB 3.85Å; E283-R295 PolarHBondContact N-O 3.2Å; E283-R295 PolarHBondContact O-N 2.82Å; E283-R295 IonicContact OE1-CZ 3Å; E283-R295 IonicContact OE1-NH1 3.08Å; E283-R295 PolarHBondContact OE1-NH1 2.96Å; T285-R295 PolarHBondContact OG1-NH1 3.02Å; V293-R295 HydrophobicContact CG1-CG 4.37Å
296	T	98.6	Very high	97.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.4	168.9	178.9	0	0	0	0	110.1	L204 N278 Y294 G298	L204-T296 HydrophobicContact CB-CG2 3.79Å; L204-T296 HydrophobicContact CD2-CG2 4.26Å; L204-T296 HydrophobicContact CG-CG2 4.46Å; L204-T296 PolarHBondContact N-O 3.18Å; L204-T296 PolarHBondContact O-N 3.33Å; N278-T296 PolarHBondContact OD1-OG1 2.74Å; Y294-T296 HydrophobicContact CE1-CG2 3.8Å; T296-G298 WeakPolarHBondContact CG2-O 3.13Å; T296-G298 PolarHBondContact OG1-N 3.29Å; T296-G298 PolarHBondContact OG1-O 3.01Å
297	I	98	Very high	97.6	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.042	C	C	.	.	S	Bend	trans	-91.2	0.9	-178.6	64.3	174.7	0	0	0	113.3	Q202 N280 A281 P536 Y538 T540 L550 Y570	Q202-I297 CarbonylContact C-O 3.5Å; Q202-I297 WeakPolarHBondContact CA-O 3.14Å; N280-I297 HydrophobicContact CB-CG1 4.4Å; A281-I297 HydrophobicContact CB-CD1 3.67Å; A281-I297 HydrophobicContact CB-CG1 4.01Å; A281-I297 WeakPolarHBondContact O-CG1 3.4Å; A281-I297 PolarHBondContact O-N 3.42Å; A281-I297 VanDerWaalsContact O-N 3.11Å; I297-P536 HydrophobicContact CD1-CB 4.39Å; I297-P536 HydrophobicContact CD1-CG 4.12Å; I297-Y538 HydrophobicContact CG2-CD1 3.78Å; I297-Y538 WeakPolarHBondContact CG2-O 3.42Å; I297-T540 HydrophobicContact CG2-CG2 3.61Å; I297-L550 HydrophobicContact CD1-CD2 3.65Å; I297-Y570 VanDerWaalsContact CB-OH 3.31Å; I297-Y570 WeakPolarHBondContact CB-OH 3.49Å; I297-Y570 HydrophobicContact CD1-CD2 4.41Å; I297-Y570 HydrophobicContact CD1-CE2 3.34Å; I297-Y570 VanDerWaalsContact CD1-CZ 3.45Å; I297-Y570 WeakPolarHBondContact CD1-OH 3.45Å; I297-Y570 HydrophobicContact CG1-CE1 4.34Å; I297-Y570 HydrophobicContact CG1-CE2 4.01Å; I297-Y570 WeakPolarHBondContact CG1-OH 3.44Å; I297-Y570 PolarHBondContact O-OH 3.06Å
298	G	98.1	Very high	97.6	Very high	3 Å²	3	6.9 Å²	6.9	3%	0.031	5%	0.047	C	C	.	.	S	Bend	trans	-160.3	-173	-178.3	0	0	0	0	0	113.2	N278 N280 T296	N278-G298 PolarHBondContact ND2-O 3.11Å; N280-G298 VanDerWaalsContact CG-CA 3.47Å; N280-G298 WeakPolarHBondContact OD1-CA 3.44Å; T296-G298 WeakPolarHBondContact CG2-O 3.13Å; T296-G298 PolarHBondContact OG1-N 3.29Å; T296-G298 PolarHBondContact OG1-O 3.01Å
299	G	98.3	Very high	97.7	Very high	4 Å²	4	9.3 Å²	9.3	4%	0.041	6%	0.062	C	C	.	.	S	Bend	trans	66.4	-135.9	177.2	0	0	0	0	0	113.8	R145 Y146 N280	R145-G299 VanDerWaalsContact CZ-O 3.25Å; R145-G299 PolarHBondContact NE-O 2.81Å; R145-G299 PolarHBondContact NH2-O 3.36Å; Y146-G299 VanDerWaalsContact O-CA 3.26Å; Y146-G299 WeakPolarHBondContact O-CA 3.1Å; N280-G299 WeakPolarHBondContact OD1-CA 3.48Å; N280-G299 PolarHBondContact OD1-N 2.9Å
300	V	98.7	Very high	98	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	7%	0.066	C	C	.	.			trans	-137.5	168	-176.3	-63.4	0	0	0	0	111	V139 R145 E147 Y199 N278 D302	V139-V300 HydrophobicContact CB-CG1 4.43Å; V139-V300 HydrophobicContact CG1-CB 4.17Å; V139-V300 HydrophobicContact CG1-CG1 3.85Å; R145-V300 HydrophobicContact CB-CG1 4.07Å; E147-V300 HydrophobicContact CG-CG1 4.29Å; E147-V300 HydrophobicContact CG-CG2 4.08Å; Y199-V300 WeakPolarHBondContact OH-CA 3.49Å; N278-V300 PolarHBondContact ND2-N 3.15Å; N278-V300 PolarHBondContact ND2-O 3.38Å; V300-D302 HydrophobicContact CG2-CB 4.03Å
301	L	98.8	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	101.7	167.1	-61.5	175.5	0	0	0	108.4	K137 I138 L197 Y199 L204 I206 Y294 M303	K137-L301 CarbonylContact C-O 3.59Å; K137-L301 VanDerWaalsContact CA-O 3.32Å; K137-L301 WeakPolarHBondContact CA-O 3.4Å; I138-L301 HydrophobicContact CB-CB 4.15Å; I138-L301 HydrophobicContact CB-CD1 4.45Å; I138-L301 HydrophobicContact CD1-CD1 4.19Å; I138-L301 PolarHBondContact N-O 3.01Å; I138-L301 PolarHBondContact O-N 3.03Å; L197-L301 HydrophobicContact CD1-CD1 3.85Å; Y199-L301 HydrophobicContact CD2-CD1 4.1Å; Y199-L301 HydrophobicContact CD2-CG 4.39Å; Y199-L301 HydrophobicContact CE2-CD1 4.27Å; Y199-L301 HydrophobicContact CE2-CG 4.12Å; L204-L301 HydrophobicContact CB-CD2 4.08Å; L204-L301 HydrophobicContact CB-CG 4.4Å; L204-L301 HydrophobicContact CD2-CD2 4.47Å; L204-L301 HydrophobicContact CD2-CG 4.24Å; I206-L301 HydrophobicContact CB-CD1 4.13Å; I206-L301 HydrophobicContact CG2-CD1 4.38Å; I206-L301 HydrophobicContact CG2-CD2 4.25Å; Y294-L301 HydrophobicContact CD1-CD2 3.88Å; Y294-L301 HydrophobicContact CE1-CD2 3.8Å; L301-M303 HydrophobicContact CB-CE 4.47Å
302	D	98.7	Very high	98.2	Very high	6 Å²	6	9.9 Å²	9.9	3%	0.032	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.6	-177.9	-165	-25.9	0	0	0	108.4	H135 K137 F276 W277 V300 Y304	H135-D302 IonicContact CD2-OD1 3.26Å; H135-D302 PolarHBondContact CD2-OD1 3.02Å; H135-D302 IonicContact CE1-OD1 2.7Å; H135-D302 IonicContact NE2-OD1 3.64Å; H135-D302 PolarHBondContact NE2-OD1 3.17Å; K137-D302 WeakPolarHBondContact CE-OD2 3.43Å; K137-D302 HydrophobicContact CG-CB 4.19Å; K137-D302 IonicContact NZ-OD2 3.6Å; K137-D302 PolarHBondContact NZ-OD2 2.89Å; K137-D302 VanDerWaalsContact NZ-OD2 3.09Å; F276-D302 CarbonylContact C-O 3.56Å; F276-D302 WeakPolarHBondContact CA-O 3.35Å; W277-D302 HydrophobicContact CB-CB 4.13Å; W277-D302 PolarHBondContact N-O 3.23Å; V300-D302 HydrophobicContact CG2-CB 4.03Å; D302-Y304 WeakPolarHBondContact OD1-CE2 3.09Å
303	M	98.7	Very high	98.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.2	-167.2	-65	163.7	-74.3	0	0	110.9	H135 V136 I138 F180 F190 I206 L275 F276 L301 I305	H135-M303 WeakPolarHBondContact CA-O 3.25Å; H135-M303 PolarHBondContact CD2-O 3.22Å; H135-M303 VanDerWaalsContact CD2-O 3.31Å; V136-M303 HydrophobicContact CB-CE 3.98Å; V136-M303 HydrophobicContact CG1-CE 3.78Å; V136-M303 PolarHBondContact N-O 3Å; V136-M303 WeakPolarHBondContact O-CB 3.48Å; V136-M303 PolarHBondContact O-N 2.91Å; I138-M303 HydrophobicContact CD1-CE 4.34Å; I138-M303 HydrophobicContact CG1-CE 4.45Å; F180-M303 HydrophobicContact CZ-CE 4.35Å; F190-M303 HydrophobicContact CE1-SD 3.89Å; F190-M303 HydrophobicContact CZ-SD 3.79Å; I206-M303 HydrophobicContact CD1-CE 4.13Å; I206-M303 HydrophobicContact CD1-SD 4.04Å; I206-M303 HydrophobicContact CG2-SD 4.46Å; L275-M303 WeakPolarHBondContact O-CA 3.37Å; F276-M303 HydrophobicContact CD1-CG 3.58Å; F276-M303 HydrophobicContact CD1-SD 4.41Å; F276-M303 HydrophobicContact CE1-CG 3.31Å; F276-M303 HydrophobicContact CE1-SD 3.56Å; F276-M303 VanDerWaalsContact CE1-SD 3.56Å; F276-M303 HydrophobicContact CG-CG 4.32Å; F276-M303 HydrophobicContact CZ-CG 3.87Å; F276-M303 HydrophobicContact CZ-SD 3.89Å; L301-M303 HydrophobicContact CB-CE 4.47Å; M303-I305 HydrophobicContact CB-CD1 4.17Å
304	Y	98.6	Very high	98.2	Very high	20 Å²	20	11.2 Å²	11.2	8%	0.078	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128	168.1	-64.3	-97.2	0	0	0	108.8	F129 A134 H135 L152 V274 L275 W277 D302 L321	F129-Y304 HydrophobicContact CE2-CD1 4.28Å; F129-Y304 HydrophobicContact CE2-CE1 4.05Å; F129-Y304 HydrophobicContact CZ-CE1 4.41Å; A134-Y304 CarbonylContact O-C 3.35Å; A134-Y304 WeakPolarHBondContact O-CA 3.49Å; H135-Y304 HydrophobicContact CB-CD1 4.31Å; H135-Y304 HydrophobicContact CB-CE1 4.24Å; H135-Y304 AromaticContact CD2-CD1 3.94Å; H135-Y304 AromaticContact CD2-CE1 3.57Å; H135-Y304 AromaticContact CD2-CE2 3.8Å; H135-Y304 AromaticContact CD2-CZ 3.48Å; H135-Y304 VanDerWaalsContact CD2-CZ 3.48Å; H135-Y304 AromaticContact CG-CE1 3.96Å; H135-Y304 AromaticContact NE2-CE2 3.92Å; H135-Y304 AromaticContact NE2-CZ 3.6Å; L152-Y304 HydrophobicContact CD1-CD2 4.38Å; L152-Y304 HydrophobicContact CD1-CE1 4.23Å; L152-Y304 HydrophobicContact CD1-CE2 3.54Å; L152-Y304 VanDerWaalsContact CD1-CZ 3.45Å; L152-Y304 WeakPolarHBondContact CD1-OH 3.17Å; V274-Y304 CarbonylContact C-O 3.57Å; V274-Y304 VanDerWaalsContact CA-O 3.28Å; V274-Y304 WeakPolarHBondContact CA-O 3.5Å; L275-Y304 HydrophobicContact CD2-CD2 4.31Å; L275-Y304 PolarHBondContact N-O 3.12Å; L275-Y304 PolarHBondContact O-N 3.29Å; W277-Y304 HydrophobicContact CB-CD2 4.37Å; W277-Y304 HydrophobicContact CB-CE2 4.07Å; D302-Y304 WeakPolarHBondContact OD1-CE2 3.09Å; Y304-L321 HydrophobicContact CD1-CD1 3.66Å; Y304-L321 HydrophobicContact CD1-CD2 3.59Å; Y304-L321 HydrophobicContact CD1-CG 4.29Å; Y304-L321 HydrophobicContact CD2-CD2 3.84Å; Y304-L321 HydrophobicContact CE1-CD1 3.6Å; Y304-L321 HydrophobicContact CE1-CD2 4.16Å; Y304-L321 HydrophobicContact CE2-CD2 4.39Å; Y304-L321 HydrophobicContact CG-CD1 4.35Å; Y304-L321 HydrophobicContact CG-CD2 3.41Å; Y304-L321 VanDerWaalsContact CG-CD2 3.41Å
305	I	98.7	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.5	-176.7	-56.6	93.1	0	0	0	108.2	I133 A134 V136 I182 L189 F190 G273 V274 M303	I133-I305 WeakPolarHBondContact CA-O 3.25Å; A134-I305 HydrophobicContact CB-CB 4.28Å; A134-I305 PolarHBondContact N-O 2.91Å; A134-I305 PolarHBondContact O-N 2.6Å; V136-I305 HydrophobicContact CG2-CD1 4.14Å; I182-I305 HydrophobicContact CG1-CD1 4.48Å; L189-I305 HydrophobicContact CB-CG2 3.78Å; L189-I305 HydrophobicContact CD1-CG2 4.18Å; F190-I305 HydrophobicContact CB-CG1 4.33Å; G273-I305 WeakPolarHBondContact O-CA 3.33Å; V274-I305 HydrophobicContact CG1-CG1 4.45Å; V274-I305 HydrophobicContact CG2-CG1 4.1Å; V274-I305 HydrophobicContact CG2-CG2 4.26Å; M303-I305 HydrophobicContact CB-CD1 4.17Å
306	F	98.3	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	-174.1	-52.1	-75.8	0	0	0	109.6	I133 F261 C272 G273 L275 V314 Q317 Y318 L321	I133-F306 HydrophobicContact CD1-CD1 4.25Å; I133-F306 HydrophobicContact CD1-CE1 4.27Å; I133-F306 HydrophobicContact CG1-CD1 4.03Å; I133-F306 HydrophobicContact CG1-CE1 4.42Å; I133-F306 HydrophobicContact CG2-CD1 4.19Å; I133-F306 HydrophobicContact CG2-CE1 4.09Å; F261-F306 HydrophobicContact CD2-CD2 4.43Å; F261-F306 HydrophobicContact CD2-CE2 4.13Å; F261-F306 AromaticContact CE2-CD2 3.76Å; F261-F306 HydrophobicContact CE2-CD2 3.76Å; F261-F306 AromaticContact CE2-CE2 3.86Å; F261-F306 HydrophobicContact CE2-CE2 3.86Å; C272-F306 CarbonylContact C-O 3.59Å; C272-F306 WeakPolarHBondContact CA-O 3.23Å; C272-F306 PolarHBondContact SG-O 2.94Å; G273-F306 PolarHBondContact N-O 2.92Å; G273-F306 PolarHBondContact O-N 2.83Å; L275-F306 HydrophobicContact CB-CE2 3.94Å; L275-F306 HydrophobicContact CB-CZ 4.42Å; F306-V314 HydrophobicContact CB-CG1 3.97Å; F306-Q317 HydrophobicContact CB-CB 4.13Å; F306-Q317 HydrophobicContact CD1-CB 3.69Å; F306-Q317 WeakPolarHBondContact CE1-O 3.48Å; F306-Q317 HydrophobicContact CG-CB 4.26Å; F306-Y318 AromaticContact CE2-CD2 3.82Å; F306-Y318 HydrophobicContact CE2-CD2 3.82Å; F306-Y318 HydrophobicContact CE2-CG 4.28Å; F306-Y318 AromaticContact CZ-CD2 3.74Å; F306-Y318 HydrophobicContact CZ-CD2 3.74Å; F306-Y318 HydrophobicContact CZ-CG 4.35Å; F306-L321 HydrophobicContact CE1-CB 4.18Å; F306-L321 HydrophobicContact CE1-CD2 4.14Å; F306-L321 HydrophobicContact CZ-CB 4.34Å; F306-L321 HydrophobicContact CZ-CD2 3.66Å
307	S	97.3	Very high	98.1	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.021	8%	0.084	C	C	.	.			trans	-91.3	-14.8	-159.1	-49.7	0	0	0	0	114.1	E132 H165 R187 L189 Q317	E132-S307 WeakPolarHBondContact O-CB 3.49Å; E132-S307 PolarHBondContact O-N 2.82Å; E132-S307 PolarHBondContact O-OG 3.43Å; H165-S307 PolarHBondContact CE1-OG 3.08Å; H165-S307 PolarHBondContact NE2-OG 3.22Å; R187-S307 PolarHBondContact NH1-O 3.36Å; L189-S307 VanDerWaalsContact CD1-OG 3.22Å; L189-S307 WeakPolarHBondContact CD1-OG 3.47Å; S307-Q317 VanDerWaalsContact N-OE1 3.13Å
308	G	97.1	Very high	98.1	Very high	9 Å²	9	15.1 Å²	15.1	9%	0.093	8%	0.084	C	C	.	.			trans	84.2	-143.1	-176.8	0	0	0	0	0	112.6	Q317	G308-Q317 PolarHBondContact O-NE2 2.86Å
309	P	96.5	Very high	98.1	Very high	78 Å²	78	15 Å²	15	51%	0.506	8%	0.083	S	C	.	.	S	Bend	cis	-87.2	-34.8	25.9	30.8	-35.6	0	0	0	114.9	K270 A271	K270-P309 CarbonylContact C-O 3.59Å; K270-P309 WeakPolarHBondContact CA-O 3.4Å; K270-P309 HydrophobicContact CG-CB 4.29Å; A271-P309 PolarHBondContact N-O 2.95Å
310	S	98	Very high	98	Very high	31 Å²	31	16.6 Å²	16.6	22%	0.217	9%	0.093	C	C	.	.	S	Bend	trans	-84.6	160.8	-178	74.9	0	0	0	0	112.2	N312 D313 V314	S310-N312 PolarHBondContact O-N 3.4Å; S310-D313 VanDerWaalsContact CB-OD2 3.3Å; S310-D313 WeakPolarHBondContact CB-OD2 3.43Å; S310-D313 PolarHBondContact N-OD2 2.98Å; S310-D313 WeakPolarHBondContact O-CB 3.41Å; S310-D313 PolarHBondContact O-N 3.4Å; S310-D313 PolarHBondContact OG-N 2.9Å; S310-D313 PolarHBondContact OG-OD2 3.15Å; S310-V314 PolarHBondContact O-N 3.33Å
311	P	98.4	Very high	97.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-51.7	-40.6	171.2	-29.4	35.7	0	0	0	113.5	M263 L265 A271 D313 V314 I315 F735 P738	M263-P311 HydrophobicContact SD-CB 3.74Å; M263-P311 HydrophobicContact SD-CG 4.47Å; L265-P311 HydrophobicContact CD1-CG 3.91Å; A271-P311 HydrophobicContact CB-CB 4.28Å; A271-P311 HydrophobicContact CB-CG 3.86Å; P311-D313 VanDerWaalsContact C-N 3.32Å; P311-D313 PolarHBondContact O-N 3.42Å; P311-V314 WeakPolarHBondContact O-CB 3.44Å; P311-V314 PolarHBondContact O-N 3.02Å; P311-I315 WeakPolarHBondContact O-CG1 3.42Å; P311-I315 PolarHBondContact O-N 3.26Å; P311-F735 HydrophobicContact CB-CB 3.88Å; P311-F735 HydrophobicContact CB-CD1 3.66Å; P311-F735 HydrophobicContact CB-CD2 3.83Å; P311-F735 HydrophobicContact CB-CE1 4.19Å; P311-F735 HydrophobicContact CB-CE2 4.32Å; P311-F735 HydrophobicContact CB-CG 3.49Å; P311-F735 VanDerWaalsContact CB-CG 3.49Å; P311-F735 HydrophobicContact CG-CD1 4.09Å; P311-F735 HydrophobicContact CG-CG 4.28Å; P311-P738 HydrophobicContact CG-CB 4.04Å
312	N	98.2	Very high	97.9	Very high	38 Å²	38	16.6 Å²	16.6	20%	0.203	9%	0.093	C	C	.	.	H	α-helix	trans	-66.5	-32.4	177.6	-74.8	-46.8	0	0	0	112.5	S310 R316 Q731 F735	S310-N312 PolarHBondContact O-N 3.4Å; N312-R316 WeakPolarHBondContact O-CB 3.28Å; N312-R316 PolarHBondContact O-N 3.29Å; N312-Q731 PolarHBondContact ND2-OE1 3.38Å; N312-F735 PolarHBondContact ND2-O 2.89Å
313	D	98.3	Very high	97.8	Very high	36 Å²	36	16.4 Å²	16.4	19%	0.193	9%	0.092	C	C	.	.	H	α-helix	trans	-69.5	-42.4	173.8	-60.5	-47.4	0	0	0	111.1	S310 P311 I315 R316 Q317	S310-D313 VanDerWaalsContact CB-OD2 3.3Å; S310-D313 WeakPolarHBondContact CB-OD2 3.43Å; S310-D313 PolarHBondContact N-OD2 2.98Å; S310-D313 WeakPolarHBondContact O-CB 3.41Å; S310-D313 PolarHBondContact O-N 3.4Å; S310-D313 PolarHBondContact OG-N 2.9Å; S310-D313 PolarHBondContact OG-OD2 3.15Å; P311-D313 VanDerWaalsContact C-N 3.32Å; P311-D313 PolarHBondContact O-N 3.42Å; D313-I315 VanDerWaalsContact C-N 3.32Å; D313-I315 PolarHBondContact O-N 3.04Å; D313-R316 WeakPolarHBondContact O-CB 3.41Å; D313-R316 PolarHBondContact O-N 3.01Å; D313-R316 VanDerWaalsContact O-N 3.17Å; D313-R316 IonicContact OD1-CZ 2.77Å; D313-R316 IonicContact OD1-NE 2.88Å; D313-R316 IonicContact OD1-NH2 3.89Å; D313-R316 PolarHBondContact OD1-NH2 3.17Å; D313-Q317 WeakPolarHBondContact O-CB 3.2Å; D313-Q317 WeakPolarHBondContact O-CG 3.47Å; D313-Q317 PolarHBondContact O-N 3.4Å
314	V	98.6	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.2	-45.7	174.5	177	0	0	0	0	110.9	F261 M263 A271 G273 F306 S310 P311 Q317 Y318	F261-V314 HydrophobicContact CZ-CG1 4.07Å; M263-V314 HydrophobicContact CE-CB 3.68Å; M263-V314 HydrophobicContact CE-CG1 3.49Å; M263-V314 VanDerWaalsContact CE-CG1 3.49Å; M263-V314 HydrophobicContact CG-CG1 4.25Å; M263-V314 HydrophobicContact SD-CB 4.29Å; M263-V314 HydrophobicContact SD-CG1 4.32Å; A271-V314 HydrophobicContact CB-CG2 3.78Å; G273-V314 VanDerWaalsContact CA-CG1 3.5Å; F306-V314 HydrophobicContact CB-CG1 3.97Å; S310-V314 PolarHBondContact O-N 3.33Å; P311-V314 WeakPolarHBondContact O-CB 3.44Å; P311-V314 PolarHBondContact O-N 3.02Å; V314-Q317 PolarHBondContact O-N 3.4Å; V314-Y318 WeakPolarHBondContact O-CB 3.34Å; V314-Y318 PolarHBondContact O-N 3.3Å
315	I	98.4	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-43.2	176.7	-64.9	-50.2	0	0	0	111.6	F261 M263 P311 D313 Q317 Y318 W319 M637 M728 F735	F261-I315 HydrophobicContact CE1-CD1 3.87Å; F261-I315 HydrophobicContact CZ-CD1 4.1Å; M263-I315 HydrophobicContact CE-CD1 3.34Å; M263-I315 HydrophobicContact CE-CG1 3.71Å; P311-I315 WeakPolarHBondContact O-CG1 3.42Å; P311-I315 PolarHBondContact O-N 3.26Å; D313-I315 VanDerWaalsContact C-N 3.32Å; D313-I315 PolarHBondContact O-N 3.04Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.05Å; I315-Y318 PolarHBondContact O-N 2.81Å; I315-W319 HydrophobicContact CG2-CD2 3.92Å; I315-W319 VanDerWaalsContact CG2-CE2 3.46Å; I315-W319 HydrophobicContact CG2-CG 4.24Å; I315-W319 HydrophobicContact CG2-CZ2 3.88Å; I315-W319 WeakPolarHBondContact O-CB 3.44Å; I315-W319 VanDerWaalsContact O-CG 3.3Å; I315-W319 PolarHBondContact O-N 2.89Å; I315-M637 HydrophobicContact CD1-CB 3.83Å; I315-M637 HydrophobicContact CD1-CG 4.11Å; I315-M728 HydrophobicContact CB-CG 4.34Å; I315-M728 HydrophobicContact CB-SD 4.32Å; I315-M728 HydrophobicContact CG1-CG 4.43Å; I315-M728 HydrophobicContact CG1-SD 3.83Å; I315-M728 HydrophobicContact CG2-CG 3.78Å; I315-M728 HydrophobicContact CG2-SD 4.28Å; I315-F735 HydrophobicContact CG1-CE2 4.44Å
316	R	97.5	Very high	97.4	Very high	84 Å²	84	19.8 Å²	19.8	32%	0.317	11%	0.11	S	C	.	.	H	α-helix	trans	-59.2	-43	177.2	-163.5	-159.6	-34.4	-79	-2.7	112.1	N312 D313 W319 S320 D725	N312-R316 WeakPolarHBondContact O-CB 3.28Å; N312-R316 PolarHBondContact O-N 3.29Å; D313-R316 WeakPolarHBondContact O-CB 3.41Å; D313-R316 PolarHBondContact O-N 3.01Å; D313-R316 VanDerWaalsContact O-N 3.17Å; D313-R316 IonicContact OD1-CZ 2.77Å; D313-R316 IonicContact OD1-NE 2.88Å; D313-R316 IonicContact OD1-NH2 3.89Å; D313-R316 PolarHBondContact OD1-NH2 3.17Å; R316-W319 PolarHBondContact O-N 3.34Å; R316-S320 PolarHBondContact O-N 2.81Å; R316-D725 WeakPolarHBondContact CG-O 3.31Å
317	Q	97.5	Very high	97.2	Very high	3 Å²	3	20 Å²	20	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-41.4	177.6	-68.9	160.7	4.6	0	0	111.4	E132 I133 F306 S307 G308 D313 V314 I315 S320 L321	E132-Q317 HydrophobicContact CB-CG 3.98Å; E132-Q317 WeakPolarHBondContact OE2-CG 3.43Å; I133-Q317 HydrophobicContact CD1-CB 4.24Å; I133-Q317 HydrophobicContact CG1-CB 4.28Å; F306-Q317 HydrophobicContact CB-CB 4.13Å; F306-Q317 HydrophobicContact CD1-CB 3.69Å; F306-Q317 WeakPolarHBondContact CE1-O 3.48Å; F306-Q317 HydrophobicContact CG-CB 4.26Å; S307-Q317 VanDerWaalsContact N-OE1 3.13Å; G308-Q317 PolarHBondContact O-NE2 2.86Å; D313-Q317 WeakPolarHBondContact O-CB 3.2Å; D313-Q317 WeakPolarHBondContact O-CG 3.47Å; D313-Q317 PolarHBondContact O-N 3.4Å; V314-Q317 PolarHBondContact O-N 3.4Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.05Å; Q317-S320 PolarHBondContact O-N 2.82Å; Q317-S320 PolarHBondContact O-OG 2.88Å; Q317-L321 PolarHBondContact O-N 3.4Å
318	Y	98.3	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-45.1	173.5	172.7	-133.9	0	0	0	111.7	F261 L275 F306 V314 I315 S320 L321 I322 P605 M637	F261-Y318 HydrophobicContact CB-CE1 4.31Å; F261-Y318 HydrophobicContact CB-CE2 4.39Å; F261-Y318 HydrophobicContact CD1-CD1 4.1Å; F261-Y318 AromaticContact CD1-CE1 3.98Å; F261-Y318 HydrophobicContact CD1-CE1 3.98Å; F261-Y318 HydrophobicContact CD2-CD1 4.12Å; F261-Y318 AromaticContact CD2-CD2 3.95Å; F261-Y318 HydrophobicContact CD2-CD2 3.95Å; F261-Y318 HydrophobicContact CD2-CE1 4.25Å; F261-Y318 HydrophobicContact CD2-CE2 4.09Å; F261-Y318 AromaticContact CD2-CG 3.95Å; F261-Y318 HydrophobicContact CD2-CG 3.95Å; F261-Y318 HydrophobicContact CE1-CD1 4.05Å; F261-Y318 HydrophobicContact CE1-CE1 4.38Å; F261-Y318 HydrophobicContact CE2-CD1 4.05Å; F261-Y318 HydrophobicContact CE2-CD2 4.16Å; F261-Y318 AromaticContact CE2-CG 3.79Å; F261-Y318 HydrophobicContact CE2-CG 3.79Å; F261-Y318 HydrophobicContact CG-CD1 4.13Å; F261-Y318 HydrophobicContact CG-CD2 4.5Å; F261-Y318 AromaticContact CG-CE1 3.91Å; F261-Y318 HydrophobicContact CG-CE1 3.91Å; F261-Y318 HydrophobicContact CG-CE2 4.29Å; F261-Y318 HydrophobicContact CG-CG 4.42Å; F261-Y318 AromaticContact CG-CZ 3.98Å; F261-Y318 HydrophobicContact CZ-CD1 4.02Å; F261-Y318 HydrophobicContact CZ-CG 4.13Å; L275-Y318 HydrophobicContact CB-CE2 4.37Å; L275-Y318 HydrophobicContact CD1-CE2 4.05Å; L275-Y318 HydrophobicContact CD2-CE2 3.97Å; L275-Y318 HydrophobicContact CG-CE2 4.35Å; F306-Y318 AromaticContact CE2-CD2 3.82Å; F306-Y318 HydrophobicContact CE2-CD2 3.82Å; F306-Y318 HydrophobicContact CE2-CG 4.28Å; F306-Y318 AromaticContact CZ-CD2 3.74Å; F306-Y318 HydrophobicContact CZ-CD2 3.74Å; F306-Y318 HydrophobicContact CZ-CG 4.35Å; V314-Y318 WeakPolarHBondContact O-CB 3.34Å; V314-Y318 PolarHBondContact O-N 3.3Å; I315-Y318 PolarHBondContact O-N 2.81Å; Y318-S320 VanDerWaalsContact C-N 3.33Å; Y318-S320 PolarHBondContact O-N 2.88Å; Y318-L321 WeakPolarHBondContact O-CB 3.43Å; Y318-L321 PolarHBondContact O-N 2.78Å; Y318-L321 VanDerWaalsContact O-N 3.16Å; Y318-I322 HydrophobicContact CD1-CD1 4.47Å; Y318-I322 HydrophobicContact CD2-CG1 4.36Å; Y318-I322 HydrophobicContact CD2-CG2 4.06Å; Y318-I322 HydrophobicContact CE1-CD1 3.84Å; Y318-I322 HydrophobicContact CE2-CB 4.41Å; Y318-I322 HydrophobicContact CE2-CD1 3.96Å; Y318-I322 HydrophobicContact CE2-CG1 4.07Å; Y318-I322 HydrophobicContact CE2-CG2 3.48Å; Y318-I322 VanDerWaalsContact CE2-CG2 3.48Å; Y318-I322 WeakPolarHBondContact O-CG1 3.24Å; Y318-I322 PolarHBondContact O-N 2.92Å; Y318-I322 VanDerWaalsContact O-N 3.1Å; Y318-P605 WeakPolarHBondContact OH-CB 3.36Å; Y318-P605 WeakPolarHBondContact OH-CG 3.42Å; Y318-M637 WeakPolarHBondContact CD1-O 3.23Å; Y318-M637 WeakPolarHBondContact CE1-O 3.46Å
319	W	97.2	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.6	-24.8	179.1	-68.3	8.7	0	0	0	113.7	I315 R316 L321 G323 K324 P325 N636 M637 A722	I315-W319 HydrophobicContact CG2-CD2 3.92Å; I315-W319 VanDerWaalsContact CG2-CE2 3.46Å; I315-W319 HydrophobicContact CG2-CG 4.24Å; I315-W319 HydrophobicContact CG2-CZ2 3.88Å; I315-W319 WeakPolarHBondContact O-CB 3.44Å; I315-W319 VanDerWaalsContact O-CG 3.3Å; I315-W319 PolarHBondContact O-N 2.89Å; R316-W319 PolarHBondContact O-N 3.34Å; W319-L321 PolarHBondContact O-N 3.48Å; W319-G323 CarbonylContact O-C 3.59Å; W319-G323 WeakPolarHBondContact O-CA 3.38Å; W319-G323 PolarHBondContact O-N 2.87Å; W319-K324 HydrophobicContact CB-CG 4.44Å; W319-K324 PolarHBondContact O-N 2.86Å; W319-P325 HydrophobicContact CE3-CG 4.24Å; W319-P325 HydrophobicContact CH2-CG 4.15Å; W319-P325 HydrophobicContact CZ3-CG 3.82Å; W319-N636 WeakPolarHBondContact CZ2-O 3.44Å; W319-M637 PolarHBondContact NE1-O 3.45Å; W319-M637 VanDerWaalsContact NE1-O 3.09Å; W319-A722 HydrophobicContact CH2-CB 4.49Å; W319-A722 HydrophobicContact CZ3-CB 4.04Å
320	S	95.9	Very high	97.2	Very high	38 Å²	38	16.6 Å²	16.6	27%	0.266	9%	0.087	S	C	.	.	H	α-helix	trans	-67.5	-30.4	171.8	75.3	0	0	0	0	111.7	R316 Q317 Y318	R316-S320 PolarHBondContact O-N 2.81Å; Q317-S320 PolarHBondContact O-N 2.82Å; Q317-S320 PolarHBondContact O-OG 2.88Å; Y318-S320 VanDerWaalsContact C-N 3.33Å; Y318-S320 PolarHBondContact O-N 2.88Å
321	L	97.8	Very high	97.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-75.2	-54.5	175.2	-178.7	74.7	0	0	0	112.4	L152 W153 P154 L275 Y304 F306 Q317 Y318 W319 G323	L152-L321 HydrophobicContact CB-CD1 3.93Å; L152-L321 HydrophobicContact CB-CG 4.3Å; L152-L321 HydrophobicContact CD1-CD1 3.97Å; L152-L321 HydrophobicContact CD1-CD2 4.26Å; L152-L321 HydrophobicContact CD1-CG 4.16Å; L152-L321 HydrophobicContact CD2-CG 4.24Å; L152-L321 HydrophobicContact CG-CD1 4.41Å; L152-L321 HydrophobicContact CG-CG 4.46Å; W153-L321 HydrophobicContact CD2-CD1 3.88Å; W153-L321 HydrophobicContact CE3-CD1 4.32Å; W153-L321 HydrophobicContact CH2-CB 4.44Å; W153-L321 HydrophobicContact CH2-CD1 3.83Å; W153-L321 HydrophobicContact CZ2-CD1 3.3Å; W153-L321 HydrophobicContact CZ3-CB 4.41Å; W153-L321 HydrophobicContact CZ3-CD1 4.29Å; W153-L321 PolarHBondContact N-O 3.34Å; P154-L321 WeakPolarHBondContact CD-O 3.49Å; L275-L321 HydrophobicContact CD2-CD2 3.72Å; Y304-L321 HydrophobicContact CD1-CD1 3.66Å; Y304-L321 HydrophobicContact CD1-CD2 3.59Å; Y304-L321 HydrophobicContact CD1-CG 4.29Å; Y304-L321 HydrophobicContact CD2-CD2 3.84Å; Y304-L321 HydrophobicContact CE1-CD1 3.6Å; Y304-L321 HydrophobicContact CE1-CD2 4.16Å; Y304-L321 HydrophobicContact CE2-CD2 4.39Å; Y304-L321 HydrophobicContact CG-CD1 4.35Å; Y304-L321 HydrophobicContact CG-CD2 3.41Å; Y304-L321 VanDerWaalsContact CG-CD2 3.41Å; F306-L321 HydrophobicContact CE1-CB 4.18Å; F306-L321 HydrophobicContact CE1-CD2 4.14Å; F306-L321 HydrophobicContact CZ-CB 4.34Å; F306-L321 HydrophobicContact CZ-CD2 3.66Å; Q317-L321 PolarHBondContact O-N 3.4Å; Y318-L321 WeakPolarHBondContact O-CB 3.43Å; Y318-L321 PolarHBondContact O-N 2.78Å; Y318-L321 VanDerWaalsContact O-N 3.16Å; W319-L321 PolarHBondContact O-N 3.48Å; L321-G323 VanDerWaalsContact C-N 3.35Å
322	I	97.6	Very high	97.2	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-86	-9.3	-173.8	64.9	155.6	0	0	0	113.6	L152 L275 Y318 P605 T606 R609	L152-I322 HydrophobicContact CD2-CG2 4.29Å; L275-I322 HydrophobicContact CD2-CG2 4.22Å; Y318-I322 HydrophobicContact CD1-CD1 4.47Å; Y318-I322 HydrophobicContact CD2-CG1 4.36Å; Y318-I322 HydrophobicContact CD2-CG2 4.06Å; Y318-I322 HydrophobicContact CE1-CD1 3.84Å; Y318-I322 HydrophobicContact CE2-CB 4.41Å; Y318-I322 HydrophobicContact CE2-CD1 3.96Å; Y318-I322 HydrophobicContact CE2-CG1 4.07Å; Y318-I322 HydrophobicContact CE2-CG2 3.48Å; Y318-I322 VanDerWaalsContact CE2-CG2 3.48Å; Y318-I322 WeakPolarHBondContact O-CG1 3.24Å; Y318-I322 PolarHBondContact O-N 2.92Å; Y318-I322 VanDerWaalsContact O-N 3.1Å; I322-P605 HydrophobicContact CB-CB 4.39Å; I322-P605 HydrophobicContact CD1-CB 4.17Å; I322-P605 HydrophobicContact CG2-CB 3.9Å; I322-T606 WeakPolarHBondContact O-CA 3.48Å; I322-T606 PolarHBondContact O-OG1 3.5Å; I322-R609 WeakPolarHBondContact O-CD 3.1Å
323	G	97.1	Very high	97.2	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.021	7%	0.068	C	C	.	.			trans	90.7	143.4	-174.1	0	0	0	0	0	113.5	W319 L321	W319-G323 CarbonylContact O-C 3.59Å; W319-G323 WeakPolarHBondContact O-CA 3.38Å; W319-G323 PolarHBondContact O-N 2.87Å; L321-G323 VanDerWaalsContact C-N 3.35Å
324	K	96.8	Very high	97.2	Very high	56 Å²	56	11.7 Å²	11.7	24%	0.243	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-73.6	152.1	-179.1	-64.7	169.9	-167.1	159.8	0	111.4	W319 R609 H723 V724	W319-K324 HydrophobicContact CB-CG 4.44Å; W319-K324 PolarHBondContact O-N 2.86Å; K324-R609 WeakPolarHBondContact O-CG 3.45Å; K324-H723 WeakPolarHBondContact CB-O 3.39Å; K324-H723 VanDerWaalsContact CD-O 3.24Å; K324-H723 WeakPolarHBondContact CD-O 3.18Å; K324-V724 PolarHBondContact NZ-O 2.9Å
325	P	96.7	Very high	97.2	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.019	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-62.3	150.6	180	24	-33.5	0	0	0	112.6	W319 G608 P641 A722 H723	W319-P325 HydrophobicContact CE3-CG 4.24Å; W319-P325 HydrophobicContact CH2-CG 4.15Å; W319-P325 HydrophobicContact CZ3-CG 3.82Å; P325-G608 CarbonylContact C-O 3.47Å; P325-G608 VanDerWaalsContact CA-O 3.24Å; P325-G608 WeakPolarHBondContact CA-O 3.14Å; P325-P641 HydrophobicContact CB-CG 3.78Å; P325-P641 HydrophobicContact CG-CG 3.74Å; P325-A722 HydrophobicContact CG-CB 3.9Å; P325-H723 WeakPolarHBondContact O-CA 3.42Å; P325-H723 PolarHBondContact O-ND1 2.85Å
326	T	93.4	Very high	97.3	Very high	32 Å²	32	11.7 Å²	11.7	20%	0.196	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-67.1	144.5	168.5	-175.1	0	0	0	0	110.1	G608 R609	T326-G608 PolarHBondContact N-O 2.72Å; T326-R609 WeakPolarHBondContact CB-O 3.4Å
327	I	94.7	Very high	97.3	Very high	6 Å²	6	7.7 Å²	7.7	3%	0.031	4%	0.044	C	C	.	.	P	Polyproline II helix	trans	-67.2	132.5	164.7	-167.4	172.1	0	0	0	109	R595 Y716 F719 Y720 H723 Y852	I327-R595 WeakPolarHBondContact O-CD 3.35Å; I327-Y716 HydrophobicContact CD1-CE1 4.49Å; I327-Y716 HydrophobicContact CD1-CE2 3.88Å; I327-Y716 HydrophobicContact CG1-CE2 3.95Å; I327-F719 HydrophobicContact CG1-CB 4.5Å; I327-Y720 HydrophobicContact CD1-CD2 4.39Å; I327-H723 HydrophobicContact CB-CB 4.25Å; I327-Y852 HydrophobicContact CD1-CD1 4.13Å; I327-Y852 HydrophobicContact CD1-CE1 3.56Å
328	P	96.7	Very high	97.4	Very high	12 Å²	12	7.6 Å²	7.6	8%	0.078	4%	0.043	C	C	.	.	P	Polyproline II helix	trans	-71.7	161.7	175.7	28.4	-33.2	0	0	0	111.1	L333 R595 F642 F719	P328-L333 HydrophobicContact CG-CD2 4.08Å; P328-L333 HydrophobicContact CG-CG 4.3Å; P328-R595 PolarHBondContact O-NH1 2.88Å; P328-F642 HydrophobicContact CB-CD2 3.82Å; P328-F642 HydrophobicContact CB-CE2 3.96Å; P328-F642 HydrophobicContact CG-CD2 4.06Å; P328-F642 HydrophobicContact CG-CE2 4.4Å; P328-F719 VanDerWaalsContact CD-CD1 3.4Å; P328-F719 HydrophobicContact CG-CB 4.17Å; P328-F719 HydrophobicContact CG-CD1 3.74Å; P328-F719 HydrophobicContact CG-CD2 4.07Å; P328-F719 HydrophobicContact CG-CE1 4.08Å; P328-F719 HydrophobicContact CG-CE2 4.39Å; P328-F719 HydrophobicContact CG-CG 3.72Å; P328-F719 HydrophobicContact CG-CZ 4.39Å
329	A	97.2	Very high	97.3	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.008	4%	0.044	C	C	.	.	P	Polyproline II helix	trans	-66.7	141.5	163.7	0	0	0	0	0	109	W331 S332 R595 G856	A329-W331 HydrophobicContact CB-CD2 4.35Å; A329-W331 HydrophobicContact CB-CG 4.35Å; A329-W331 HydrophobicContact CB-CZ2 4.3Å; A329-W331 VanDerWaalsContact CB-NE1 3.34Å; A329-W331 PolarHBondContact O-N 2.82Å; A329-S332 PolarHBondContact O-N 3.38Å; A329-S332 PolarHBondContact O-OG 2.9Å; A329-R595 HydrophobicContact CB-CB 4.49Å; A329-G856 WeakPolarHBondContact CA-O 3.27Å
330	Y	97.5	Very high	97.3	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.016	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-60.3	-36.7	-173	-169.4	-81.7	0	0	0	112.1	S332 L333 L712 Y716 T825 R829 G856	Y330-S332 PolarHBondContact O-N 3.2Å; Y330-L333 WeakPolarHBondContact O-CB 3.48Å; Y330-L333 PolarHBondContact O-N 2.89Å; Y330-L333 VanDerWaalsContact O-N 3.14Å; Y330-L712 HydrophobicContact CE1-CB 4.44Å; Y330-L712 HydrophobicContact CE1-CD1 4.43Å; Y330-L712 VanDerWaalsContact OH-CB 3.32Å; Y330-L712 WeakPolarHBondContact OH-CB 3.39Å; Y330-Y716 AromaticContact CD2-CD1 3.56Å; Y330-Y716 HydrophobicContact CD2-CD1 3.56Å; Y330-Y716 AromaticContact CD2-CD2 3.66Å; Y330-Y716 HydrophobicContact CD2-CD2 3.66Å; Y330-Y716 AromaticContact CD2-CE1 3.87Å; Y330-Y716 HydrophobicContact CD2-CE1 3.87Å; Y330-Y716 AromaticContact CD2-CE2 3.98Å; Y330-Y716 HydrophobicContact CD2-CE2 3.98Å; Y330-Y716 AromaticContact CD2-CG 3.43Å; Y330-Y716 HydrophobicContact CD2-CG 3.43Å; Y330-Y716 VanDerWaalsContact CD2-CG 3.43Å; Y330-Y716 AromaticContact CE2-CD1 3.84Å; Y330-Y716 HydrophobicContact CE2-CD1 3.84Å; Y330-Y716 HydrophobicContact CE2-CD2 4.32Å; Y330-Y716 AromaticContact CE2-CG 3.7Å; Y330-Y716 HydrophobicContact CE2-CG 3.7Å; Y330-T825 HydrophobicContact CD1-CG2 4.01Å; Y330-T825 HydrophobicContact CE1-CG2 4.03Å; Y330-R829 VanDerWaalsContact CD1-CD 3.46Å; Y330-R829 HydrophobicContact CD1-CG 4Å; Y330-R829 HydrophobicContact CE1-CG 3.53Å; Y330-G856 PolarHBondContact N-O 3.07Å
331	W	97.9	Very high	97.3	Very high	3 Å²	3	7.7 Å²	7.7	1%	0.011	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-64.3	-26.2	179	61.9	-102.4	0	0	0	113.5	A329 L333 G334 D363 V364 R402 V404 D493 F597 T825	A329-W331 HydrophobicContact CB-CD2 4.35Å; A329-W331 HydrophobicContact CB-CG 4.35Å; A329-W331 HydrophobicContact CB-CZ2 4.3Å; A329-W331 VanDerWaalsContact CB-NE1 3.34Å; A329-W331 PolarHBondContact O-N 2.82Å; W331-L333 PolarHBondContact O-N 3.3Å; W331-G334 PolarHBondContact O-N 3.24Å; W331-G334 VanDerWaalsContact O-N 3.13Å; W331-D363 WeakPolarHBondContact O-CB 3.36Å; W331-V364 HydrophobicContact CE3-CG2 3.62Å; W331-V364 HydrophobicContact CZ3-CG1 4.37Å; W331-V364 HydrophobicContact CZ3-CG2 3.58Å; W331-R402 HydrophobicContact CB-CG 4.24Å; W331-R402 HydrophobicContact CD2-CB 4.26Å; W331-R402 HydrophobicContact CD2-CG 3.76Å; W331-R402 HydrophobicContact CE3-CB 3.79Å; W331-R402 HydrophobicContact CE3-CG 3.76Å; W331-R402 HydrophobicContact CG-CG 3.98Å; W331-R402 HydrophobicContact CH2-CB 4.49Å; W331-R402 HydrophobicContact CZ3-CB 3.93Å; W331-R402 HydrophobicContact CZ3-CG 4.36Å; W331-V404 HydrophobicContact CH2-CG2 4.38Å; W331-V404 HydrophobicContact CZ3-CG2 4.48Å; W331-D493 HydrophobicContact CH2-CB 4.04Å; W331-D493 HydrophobicContact CZ2-CB 4Å; W331-F597 HydrophobicContact CH2-CB 3.35Å; W331-F597 HydrophobicContact CH2-CG 4.13Å; W331-F597 HydrophobicContact CZ2-CB 3.79Å; W331-F597 HydrophobicContact CZ3-CB 4.16Å; W331-T825 WeakPolarHBondContact CA-OG1 3.12Å
332	S	98.2	Very high	97.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-76.1	-9.7	178.3	77.3	0	0	0	0	112.3	A329 Y330 H336 F642	A329-S332 PolarHBondContact O-N 3.38Å; A329-S332 PolarHBondContact O-OG 2.9Å; Y330-S332 PolarHBondContact O-N 3.2Å; S332-H336 PolarHBondContact O-NE2 2.94Å; S332-F642 WeakPolarHBondContact O-CZ 3.3Å
333	L	98.6	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-79.4	-8.1	169	-63.2	174.2	0	0	0	112.6	P328 Y330 W331 F642 R708 L712 L715 Y716 F719	P328-L333 HydrophobicContact CG-CD2 4.08Å; P328-L333 HydrophobicContact CG-CG 4.3Å; Y330-L333 WeakPolarHBondContact O-CB 3.48Å; Y330-L333 PolarHBondContact O-N 2.89Å; Y330-L333 VanDerWaalsContact O-N 3.14Å; W331-L333 PolarHBondContact O-N 3.3Å; L333-F642 HydrophobicContact CD2-CD2 4.14Å; L333-F642 HydrophobicContact CD2-CE2 3.77Å; L333-R708 PolarHBondContact O-NE 2.91Å; L333-R708 PolarHBondContact O-NH2 3.16Å; L333-L712 HydrophobicContact CB-CD2 3.62Å; L333-L712 WeakPolarHBondContact O-CD2 3.42Å; L333-L715 HydrophobicContact CD1-CG 4.49Å; L333-L715 HydrophobicContact CD2-CD2 3.96Å; L333-L715 HydrophobicContact CD2-CG 4.3Å; L333-Y716 HydrophobicContact CD1-CD2 3.67Å; L333-Y716 HydrophobicContact CD1-CG 4.25Å; L333-F719 HydrophobicContact CD1-CD2 4.43Å; L333-F719 HydrophobicContact CD2-CD2 3.8Å; L333-F719 HydrophobicContact CD2-CE2 3.45Å; L333-F719 VanDerWaalsContact CD2-CE2 3.45Å; L333-F719 HydrophobicContact CD2-CZ 4.23Å
334	G	98.5	Very high	97.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-68.3	-170.9	172	0	0	0	0	0	113.1	W331 H336 Y709	W331-G334 PolarHBondContact O-N 3.24Å; W331-G334 VanDerWaalsContact O-N 3.13Å; G334-H336 PolarHBondContact O-CD2 3.18Å; G334-Y709 WeakPolarHBondContact CA-OH 3.2Å
335	F	98.8	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.5	175.2	179.7	-108.3	0	0	0	111.3	L337 M355 P361 Q362 D363 V364 I647 H663 S672 N674 P691 L705 Y709	F335-L337 HydrophobicContact CE1-CB 4.23Å; F335-L337 HydrophobicContact CE1-CD1 4.39Å; F335-M355 HydrophobicContact CD1-CE 4.05Å; F335-M355 HydrophobicContact CE1-CE 3.79Å; F335-P361 WeakPolarHBondContact CD1-O 3.44Å; F335-Q362 HydrophobicContact CD1-CB 4.44Å; F335-Q362 HydrophobicContact CD1-CG 4.49Å; F335-D363 PolarHBondContact O-N 3.07Å; F335-V364 PolarHBondContact O-N 3.4Å; F335-V364 VanDerWaalsContact O-N 3.13Å; F335-I647 HydrophobicContact CE2-CD1 4.21Å; F335-H663 AromaticContact CE2-CE1 4Å; F335-H663 AromaticContact CZ-CE1 3.84Å; F335-S672 WeakPolarHBondContact CD2-O 3.47Å; F335-N674 HydrophobicContact CE2-CB 4.19Å; F335-N674 HydrophobicContact CZ-CB 3.68Å; F335-P691 HydrophobicContact CE1-CG 3.97Å; F335-P691 HydrophobicContact CZ-CG 3.91Å; F335-L705 HydrophobicContact CB-CD1 3.99Å; F335-L705 HydrophobicContact CB-CD2 3.92Å; F335-L705 HydrophobicContact CD1-CD1 4.18Å; F335-L705 HydrophobicContact CD2-CD1 4.02Å; F335-L705 HydrophobicContact CD2-CD2 3.92Å; F335-L705 HydrophobicContact CG-CD1 3.79Å; F335-L705 HydrophobicContact CG-CD2 4.15Å; F335-Y709 HydrophobicContact CB-CE2 4.47Å; F335-Y709 PolarHBondContact N-OH 2.78Å
336	H	98.8	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.8	-179	-70.2	-134	0	0	0	109.9	S332 G334 V364 Y366 F671 S672 R673 N674	S332-H336 PolarHBondContact O-NE2 2.94Å; G334-H336 PolarHBondContact O-CD2 3.18Å; H336-V364 HydrophobicContact CB-CB 4.22Å; H336-V364 VanDerWaalsContact CE1-CG2 3.47Å; H336-V364 WeakPolarHBondContact CE1-CG2 3.21Å; H336-V364 WeakPolarHBondContact NE2-CG2 3.37Å; H336-Y366 HydrophobicContact CB-CD2 4.5Å; H336-Y366 HydrophobicContact CB-CE2 3.73Å; H336-Y366 AromaticContact CG-CE2 3.85Å; H336-Y366 AromaticContact ND1-CE2 3.3Å; H336-Y366 VanDerWaalsContact ND1-CE2 3.3Å; H336-Y366 WeakPolarHBondContact ND1-CE2 3.29Å; H336-Y366 AromaticContact ND1-CZ 3.5Å; H336-Y366 PolarHBondContact ND1-OH 3Å; H336-F671 HydrophobicContact CB-CE2 4.43Å; H336-F671 AromaticContact CE1-CE2 3.95Å; H336-F671 AromaticContact ND1-CE2 3.58Å; H336-S672 PolarHBondContact N-O 2.82Å; H336-R673 HydrophobicContact CB-CB 3.81Å; H336-R673 HydrophobicContact CB-CG 3.95Å; H336-R673 VanDerWaalsContact O-CA 3.31Å; H336-R673 WeakPolarHBondContact O-CA 3.44Å; H336-N674 PolarHBondContact O-N 3.17Å
337	L	98.7	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.3	177.5	-173.6	60.4	0	0	0	110.8	F335 V351 M355 V364 Q365 Y366 N674 D690	F335-L337 HydrophobicContact CE1-CB 4.23Å; F335-L337 HydrophobicContact CE1-CD1 4.39Å; L337-V351 HydrophobicContact CD2-CG1 3.44Å; L337-V351 VanDerWaalsContact CD2-CG1 3.44Å; L337-V351 HydrophobicContact CG-CG1 4.49Å; L337-M355 HydrophobicContact CD2-CG 3.9Å; L337-M355 HydrophobicContact CD2-SD 4.31Å; L337-V364 PolarHBondContact N-O 2.91Å; L337-Q365 PolarHBondContact O-NE2 3.16Å; L337-Y366 WeakPolarHBondContact O-CD2 3.33Å; L337-Y366 PolarHBondContact O-N 2.96Å; L337-N674 HydrophobicContact CD1-CB 4.06Å; L337-N674 VanDerWaalsContact CD1-OD1 3.25Å; L337-N674 WeakPolarHBondContact CD1-OD1 3.36Å; L337-D690 HydrophobicContact CD1-CB 3.96Å; L337-D690 HydrophobicContact CD2-CB 4.47Å
338	C	98.3	Very high	97.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.076	C	C	.	.			trans	-141.8	165.5	-179.2	-167.3	0	0	0	0	110.5	Y366 R673 N674 H675	C338-Y366 HydrophobicContact CB-CD1 4.48Å; C338-Y366 HydrophobicContact CB-CD2 4.15Å; C338-Y366 HydrophobicContact CB-CG 3.85Å; C338-Y366 WeakPolarHBondContact SG-CB 3.01Å; C338-R673 HydrophobicContact CB-CG 4.34Å; C338-N674 PolarHBondContact N-O 2.87Å; C338-H675 HydrophobicContact CB-CB 3.92Å; C338-H675 WeakPolarHBondContact CB-ND1 3.25Å; C338-H675 WeakPolarHBondContact O-CA 3.25Å; C338-H675 PolarHBondContact SG-CE1 2.9Å; C338-H675 PolarHBondContact SG-ND1 2.93Å
339	R	97.4	Very high	97.8	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.015	8%	0.083	C	C	.	.			trans	-162.7	135.9	168.8	176.7	-179.4	179.1	96.3	-1	108.7	Y342 D368 H675 N676 Y685 Q686 I687 D688	R339-Y342 HydrophobicContact CB-CD1 4.27Å; R339-Y342 HydrophobicContact CB-CD2 4.05Å; R339-Y342 HydrophobicContact CB-CE1 3.87Å; R339-Y342 HydrophobicContact CB-CE2 3.66Å; R339-Y342 HydrophobicContact CB-CG 4.35Å; R339-Y342 HydrophobicContact CG-CE1 4.49Å; R339-Y342 WeakPolarHBondContact O-CD2 3.38Å; R339-D368 WeakPolarHBondContact O-CB 3.18Å; R339-H675 WeakPolarHBondContact CA-ND1 3.36Å; R339-H675 PolarHBondContact N-ND1 2.76Å; R339-N676 PolarHBondContact NH1-ND2 2.85Å; R339-N676 PolarHBondContact NH1-OD1 3.05Å; R339-Y685 PolarHBondContact NE-OH 2.82Å; R339-Y685 VanDerWaalsContact NH2-CZ 3.29Å; R339-Y685 PolarHBondContact NH2-OH 3.15Å; R339-Y685 VanDerWaalsContact NH2-OH 3.15Å; R339-Q686 PolarHBondContact NH2-O 3.38Å; R339-I687 PolarHBondContact NH1-O 3.24Å; R339-D688 IonicContact CZ-OD1 3.23Å; R339-D688 IonicContact NH1-OD1 2.72Å; R339-D688 PolarHBondContact NH1-OD1 3.3Å
340	Y	97.6	Very high	97.9	Very high	35 Å²	35	20.4 Å²	20.4	14%	0.137	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	121.3	159.6	176.1	-147.6	0	0	0	108.5	D368 I369 W460 F650 H675 N676 G677 K678	Y340-D368 WeakPolarHBondContact CB-OD2 3.04Å; Y340-D368 HydrophobicContact CD2-CB 4.29Å; Y340-I369 HydrophobicContact CD2-CG1 4.12Å; Y340-I369 HydrophobicContact CE2-CD1 3.94Å; Y340-I369 HydrophobicContact CE2-CG1 3.74Å; Y340-W460 HydrophobicContact CE1-CH2 4.41Å; Y340-F650 HydrophobicContact CD1-CZ 4.16Å; Y340-H675 PolarHBondContact N-CE1 2.85Å; Y340-H675 VanDerWaalsContact N-CE1 3.34Å; Y340-N676 PolarHBondContact N-O 2.84Å; Y340-G677 CarbonylContact O-C 3.5Å; Y340-K678 HydrophobicContact CD1-CB 3.67Å; Y340-K678 HydrophobicContact CD2-CB 4.25Å; Y340-K678 HydrophobicContact CD2-CD 4.37Å; Y340-K678 HydrophobicContact CE1-CB 3.73Å; Y340-K678 HydrophobicContact CE1-CD 4.28Å; Y340-K678 HydrophobicContact CE2-CB 4.27Å; Y340-K678 HydrophobicContact CE2-CD 3.78Å; Y340-K678 HydrophobicContact CG-CB 3.93Å; Y340-K678 WeakPolarHBondContact O-CA 3.14Å; Y340-K678 WeakPolarHBondContact O-CB 3.42Å; Y340-K678 PolarHBondContact O-N 3.07Å; Y340-K678 VanDerWaalsContact O-N 3.13Å
341	G	96.1	Very high	97.9	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.8	6.7	-178.4	0	0	0	0	0	115	Q343 D370 Y685	G341-Q343 PolarHBondContact O-N 3.01Å; G341-D370 WeakPolarHBondContact CA-OD1 3.44Å; G341-D370 WeakPolarHBondContact CA-OD2 3.24Å; G341-D370 VanDerWaalsContact N-CG 3.34Å; G341-D370 PolarHBondContact N-OD1 2.52Å; G341-D370 PolarHBondContact N-OD2 3.42Å; G341-Y685 PolarHBondContact O-OH 3.27Å
342	Y	97.4	Very high	97.8	Very high	7 Å²	7	20.3 Å²	20.3	3%	0.027	10%	0.104	C	C	.	.			trans	-56	123	173.8	-75.9	-51.9	0	0	0	109.6	R339 V347 V348 V351 Q365 V367 D370 F385	R339-Y342 HydrophobicContact CB-CD1 4.27Å; R339-Y342 HydrophobicContact CB-CD2 4.05Å; R339-Y342 HydrophobicContact CB-CE1 3.87Å; R339-Y342 HydrophobicContact CB-CE2 3.66Å; R339-Y342 HydrophobicContact CB-CG 4.35Å; R339-Y342 HydrophobicContact CG-CE1 4.49Å; R339-Y342 WeakPolarHBondContact O-CD2 3.38Å; Y342-V347 HydrophobicContact CD1-CG1 4Å; Y342-V348 HydrophobicContact CD1-CG2 4.06Å; Y342-V348 HydrophobicContact CD2-CG2 4Å; Y342-V348 HydrophobicContact CE2-CG2 4.5Å; Y342-V348 HydrophobicContact CG-CG2 3.74Å; Y342-V351 HydrophobicContact CE1-CG2 4.27Å; Y342-Q365 PolarHBondContact OH-NE2 3.34Å; Y342-V367 HydrophobicContact CD2-CG1 4.27Å; Y342-D370 PolarHBondContact N-OD2 2.84Å; Y342-D370 VanDerWaalsContact N-OD2 3.1Å; Y342-D370 VanDerWaalsContact O-CB 3.29Å; Y342-D370 WeakPolarHBondContact O-CB 3.23Å; Y342-F385 VanDerWaalsContact O-CZ 3.31Å; Y342-F385 WeakPolarHBondContact O-CZ 3.38Å
343	Q	95.9	Very high	97.8	Very high	83 Å²	83	23.1 Å²	23.1	39%	0.388	12%	0.12	S	C	.	.			trans	-83.2	-25.2	-168.8	-59.3	89.3	-16.1	0	0	113.2	G341 N384 Y685	G341-Q343 PolarHBondContact O-N 3.01Å; Q343-N384 WeakPolarHBondContact O-CB 3.47Å; Q343-Y685 PolarHBondContact NE2-OH 3.38Å
344	N	98.3	Very high	97.7	Very high	49 Å²	49	26.8 Å²	26.8	26%	0.262	13%	0.134	S	C	.	.	S	Bend	trans	-171.3	170.7	-179.5	52.7	71.6	0	0	0	110.8	S346 V347 V348 N384	N344-S346 PolarHBondContact O-N 3.21Å; N344-S346 WeakPolarHBondContact OD1-CA 3.06Å; N344-S346 VanDerWaalsContact OD1-CB 3.26Å; N344-S346 WeakPolarHBondContact OD1-CB 3.41Å; N344-S346 PolarHBondContact OD1-N 2.93Å; N344-V347 PolarHBondContact O-N 3.44Å; N344-V347 PolarHBondContact OD1-N 3.11Å; N344-V348 PolarHBondContact O-N 3.42Å; N344-N384 WeakPolarHBondContact CA-O 3.47Å; N344-N384 HydrophobicContact CB-CB 4.31Å; N344-N384 WeakPolarHBondContact CB-O 3.32Å
345	T	98.2	Very high	97.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-55.8	-33.3	178.3	-43.6	0	0	0	0	113.7	V348 R349 N384 F385 D387 L388 L391	T345-V348 PolarHBondContact O-N 2.9Å; T345-R349 WeakPolarHBondContact O-CB 3.49Å; T345-R349 PolarHBondContact O-N 2.97Å; T345-N384 PolarHBondContact N-O 3.43Å; T345-F385 WeakPolarHBondContact OG1-CA 3.34Å; T345-D387 WeakPolarHBondContact CB-OD1 3.47Å; T345-D387 WeakPolarHBondContact CG2-OD1 3.11Å; T345-D387 PolarHBondContact OG1-OD1 2.85Å; T345-L388 HydrophobicContact CG2-CB 4.4Å; T345-L391 HydrophobicContact CG2-CB 3.88Å; T345-L391 HydrophobicContact CG2-CD2 3.6Å; T345-L391 HydrophobicContact CG2-CG 4.34Å
346	S	98.3	Very high	97.5	Very high	59 Å²	59	28.5 Å²	28.5	41%	0.413	14%	0.14	S	C	.	.	H	α-helix	trans	-66.3	-40	-177.8	-57.7	0	0	0	0	111.9	N344 V348 R349 D350	N344-S346 PolarHBondContact O-N 3.21Å; N344-S346 WeakPolarHBondContact OD1-CA 3.06Å; N344-S346 VanDerWaalsContact OD1-CB 3.26Å; N344-S346 WeakPolarHBondContact OD1-CB 3.41Å; N344-S346 PolarHBondContact OD1-N 2.93Å; S346-V348 VanDerWaalsContact C-N 3.34Å; S346-V348 PolarHBondContact O-N 3.37Å; S346-R349 WeakPolarHBondContact O-CB 3.38Å; S346-R349 PolarHBondContact O-N 2.84Å; S346-D350 WeakPolarHBondContact O-CB 3.33Å; S346-D350 PolarHBondContact O-N 2.67Å
347	V	97.5	Very high	97.4	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.218	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.3	178.5	0	0	0	0	110.9	Y342 N344 R349 D350 V351	Y342-V347 HydrophobicContact CD1-CG1 4Å; N344-V347 PolarHBondContact O-N 3.44Å; N344-V347 PolarHBondContact OD1-N 3.11Å; V347-R349 VanDerWaalsContact C-N 3.35Å; V347-R349 PolarHBondContact O-N 3.05Å; V347-D350 PolarHBondContact O-N 2.93Å; V347-V351 WeakPolarHBondContact O-CG2 3.12Å; V347-V351 PolarHBondContact O-N 2.59Å; V347-V351 VanDerWaalsContact O-N 3.07Å
348	V	97.9	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-45	176.5	-175.6	0	0	0	0	110.7	Y342 N344 T345 S346 V351 V352 Q365 V367 F385 L391 W403	Y342-V348 HydrophobicContact CD1-CG2 4.06Å; Y342-V348 HydrophobicContact CD2-CG2 4Å; Y342-V348 HydrophobicContact CE2-CG2 4.5Å; Y342-V348 HydrophobicContact CG-CG2 3.74Å; N344-V348 PolarHBondContact O-N 3.42Å; T345-V348 PolarHBondContact O-N 2.9Å; S346-V348 VanDerWaalsContact C-N 3.34Å; S346-V348 PolarHBondContact O-N 3.37Å; V348-V351 PolarHBondContact O-N 2.99Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.28Å; V348-V352 VanDerWaalsContact O-N 3.1Å; V348-Q365 HydrophobicContact CG1-CG 4.12Å; V348-V367 HydrophobicContact CG1-CG2 4.47Å; V348-V367 HydrophobicContact CG2-CG2 4.37Å; V348-F385 HydrophobicContact CG2-CE1 4.4Å; V348-L391 HydrophobicContact CB-CD2 4.21Å; V348-L391 HydrophobicContact CG1-CD2 4.06Å; V348-W403 HydrophobicContact CG1-CH2 3.78Å; V348-W403 HydrophobicContact CG1-CZ3 4.12Å
349	R	97.9	Very high	97.3	Very high	60 Å²	60	44.3 Å²	44.3	23%	0.226	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.8	-174.8	-176.9	-62.2	106.2	0.7	111.7	T345 S346 V347 V351 V352 D353 D387 L391	T345-R349 WeakPolarHBondContact O-CB 3.49Å; T345-R349 PolarHBondContact O-N 2.97Å; S346-R349 WeakPolarHBondContact O-CB 3.38Å; S346-R349 PolarHBondContact O-N 2.84Å; V347-R349 VanDerWaalsContact C-N 3.35Å; V347-R349 PolarHBondContact O-N 3.05Å; R349-V351 VanDerWaalsContact C-N 3.34Å; R349-V351 PolarHBondContact O-N 3.03Å; R349-V352 PolarHBondContact O-N 2.77Å; R349-D353 WeakPolarHBondContact O-CB 3.34Å; R349-D353 PolarHBondContact O-N 2.98Å; R349-D387 IonicContact CZ-OD2 3.19Å; R349-D387 IonicContact NH1-OD2 2.68Å; R349-D387 IonicContact NH2-OD2 2.88Å; R349-D387 PolarHBondContact NH2-OD2 2.83Å; R349-L391 HydrophobicContact CB-CD1 4.04Å; R349-L391 HydrophobicContact CB-CD2 4.2Å; R349-L391 HydrophobicContact CG-CD1 3.97Å
350	D	97.8	Very high	97.3	Very high	86 Å²	86	44.1 Å²	44.1	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-42.7	-178.8	-71.1	-13.3	0	0	0	111.4	S346 V347 D353 R354	S346-D350 WeakPolarHBondContact O-CB 3.33Å; S346-D350 PolarHBondContact O-N 2.67Å; V347-D350 PolarHBondContact O-N 2.93Å; D350-D353 PolarHBondContact O-N 2.03Å; D350-R354 VanDerWaalsContact O-CG 3.31Å; D350-R354 WeakPolarHBondContact O-CG 3.42Å; D350-R354 PolarHBondContact O-N 2.72Å
351	V	97.3	Very high	97.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-46.8	176.9	172.4	0	0	0	0	111.2	L337 Y342 V347 V348 R349 D353 R354 M355 D690	L337-V351 HydrophobicContact CD2-CG1 3.44Å; L337-V351 VanDerWaalsContact CD2-CG1 3.44Å; L337-V351 HydrophobicContact CG-CG1 4.49Å; Y342-V351 HydrophobicContact CE1-CG2 4.27Å; V347-V351 WeakPolarHBondContact O-CG2 3.12Å; V347-V351 PolarHBondContact O-N 2.59Å; V347-V351 VanDerWaalsContact O-N 3.07Å; V348-V351 PolarHBondContact O-N 2.99Å; R349-V351 VanDerWaalsContact C-N 3.34Å; R349-V351 PolarHBondContact O-N 3.03Å; V351-D353 VanDerWaalsContact C-N 3.3Å; V351-D353 PolarHBondContact O-N 2.89Å; V351-R354 PolarHBondContact O-N 3.42Å; V351-M355 WeakPolarHBondContact O-CG 3.49Å; V351-M355 PolarHBondContact O-N 3.01Å; V351-D690 HydrophobicContact CG1-CB 4.33Å
352	V	97	Very high	97.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-42.6	176.5	170.1	0	0	0	0	111.1	V348 R349 R356 Q365 T395 L401	V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.28Å; V348-V352 VanDerWaalsContact O-N 3.1Å; R349-V352 PolarHBondContact O-N 2.77Å; V352-R356 WeakPolarHBondContact O-CG 3.3Å; V352-R356 PolarHBondContact O-N 2.75Å; V352-Q365 HydrophobicContact CG2-CG 4.14Å; V352-T395 HydrophobicContact CG1-CG2 4.35Å; V352-L401 HydrophobicContact CG1-CD2 4.03Å; V352-L401 HydrophobicContact CG2-CD2 4.1Å
353	D	97.3	Very high	97.5	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-40.3	179.1	-78.6	-22.5	0	0	0	112.1	R349 D350 V351 R356 Q357	R349-D353 WeakPolarHBondContact O-CB 3.34Å; R349-D353 PolarHBondContact O-N 2.98Å; D350-D353 PolarHBondContact O-N 2.03Å; V351-D353 VanDerWaalsContact C-N 3.3Å; V351-D353 PolarHBondContact O-N 2.89Å; D353-R356 PolarHBondContact O-N 2.92Å; D353-Q357 VanDerWaalsContact O-CG 3.25Å; D353-Q357 WeakPolarHBondContact O-CG 3.45Å; D353-Q357 PolarHBondContact O-N 3.07Å
354	R	97.1	Very high	97.6	Very high	78 Å²	78	38.5 Å²	38.5	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-44.9	175.1	-71.5	-166.5	-51.1	-105.2	13.4	111.8	D350 V351 R356 Q357 Q358 D688 D690 T692	D350-R354 VanDerWaalsContact O-CG 3.31Å; D350-R354 WeakPolarHBondContact O-CG 3.42Å; D350-R354 PolarHBondContact O-N 2.72Å; V351-R354 PolarHBondContact O-N 3.42Å; R354-R356 PolarHBondContact O-N 3.02Å; R354-Q357 PolarHBondContact O-N 2.97Å; R354-Q358 WeakPolarHBondContact O-CG 3.38Å; R354-Q358 PolarHBondContact O-N 2.93Å; R354-D688 IonicContact NH2-OD2 3.09Å; R354-D690 IonicContact NH2-OD2 3.41Å; R354-D690 PolarHBondContact NH2-OD2 3.09Å; R354-D690 VanDerWaalsContact NH2-OD2 3.08Å; R354-T692 HydrophobicContact CB-CG2 3.92Å; R354-T692 PolarHBondContact NE-OG1 3.29Å
355	M	97.8	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.1	-41.8	176.2	-73.8	-69	-69.9	0	0	111.6	F335 L337 V351 E359 I360 Q362 P691 T692	F335-M355 HydrophobicContact CD1-CE 4.05Å; F335-M355 HydrophobicContact CE1-CE 3.79Å; L337-M355 HydrophobicContact CD2-CG 3.9Å; L337-M355 HydrophobicContact CD2-SD 4.31Å; V351-M355 WeakPolarHBondContact O-CG 3.49Å; V351-M355 PolarHBondContact O-N 3.01Å; M355-E359 PolarHBondContact O-N 2.55Å; M355-I360 HydrophobicContact CE-CB 3.75Å; M355-I360 HydrophobicContact CE-CG2 3.42Å; M355-I360 VanDerWaalsContact CE-CG2 3.42Å; M355-I360 PolarHBondContact O-N 2.79Å; M355-I360 HydrophobicContact SD-CB 4.16Å; M355-I360 HydrophobicContact SD-CD1 4.16Å; M355-I360 HydrophobicContact SD-CG2 4.2Å; M355-Q362 HydrophobicContact CE-CB 4.06Å; M355-P691 HydrophobicContact CE-CB 4.46Å; M355-P691 HydrophobicContact CE-CG 3.98Å; M355-P691 HydrophobicContact SD-CB 3.95Å; M355-P691 HydrophobicContact SD-CG 3.84Å; M355-T692 HydrophobicContact CG-CG2 4.19Å; M355-T692 HydrophobicContact SD-CG2 3.74Å
356	R	95.8	Very high	97.7	Very high	36 Å²	36	36.1 Å²	36.1	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-42.7	177.2	-65.8	-69.6	171.1	-109.6	0.7	112.9	V352 D353 R354 Q358 E359 I360 Q362	V352-R356 WeakPolarHBondContact O-CG 3.3Å; V352-R356 PolarHBondContact O-N 2.75Å; D353-R356 PolarHBondContact O-N 2.92Å; R354-R356 PolarHBondContact O-N 3.02Å; R356-Q358 PolarHBondContact O-N 2.74Å; R356-E359 PolarHBondContact O-N 2.91Å; R356-E359 VanDerWaalsContact O-N 3.15Å; R356-I360 PolarHBondContact NH1-O 3.06Å; R356-Q362 PolarHBondContact NH2-O 3.14Å
357	Q	96.8	Very high	97.6	Very high	138 Å²	138	33.3 Å²	33.3	65%	0.645	16%	0.156	S	C	*	.	H	α-helix	trans	-60.6	-33.4	177.9	-73.8	169.5	27.8	0	0	112.3	D353 R354 E359	D353-Q357 VanDerWaalsContact O-CG 3.25Å; D353-Q357 WeakPolarHBondContact O-CG 3.45Å; D353-Q357 PolarHBondContact O-N 3.07Å; R354-Q357 PolarHBondContact O-N 2.97Å; Q357-E359 VanDerWaalsContact C-N 3.33Å
358	Q	97.2	Very high	97.6	Very high	71 Å²	71	32 Å²	32	33%	0.332	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.9	-179.6	-59.1	-59.1	-28	0	0	113.8	R354 R356 I360 T692	R354-Q358 WeakPolarHBondContact O-CG 3.38Å; R354-Q358 PolarHBondContact O-N 2.93Å; R356-Q358 PolarHBondContact O-N 2.74Å; Q358-I360 HydrophobicContact CB-CD1 4.07Å; Q358-I360 HydrophobicContact CB-CG1 3.97Å; Q358-I360 PolarHBondContact O-N 2.7Å; Q358-T692 HydrophobicContact CG-CG2 4.37Å
359	E	96.7	Very high	97.5	Very high	123 Å²	123	32.1 Å²	32.1	58%	0.575	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	36	-180	-58.9	-174.5	145.6	0	0	113.1	M355 R356 Q357 L823	M355-E359 PolarHBondContact O-N 2.55Å; R356-E359 PolarHBondContact O-N 2.91Å; R356-E359 VanDerWaalsContact O-N 3.15Å; Q357-E359 VanDerWaalsContact C-N 3.33Å; E359-L823 HydrophobicContact CB-CD2 3.91Å; E359-L823 WeakPolarHBondContact O-CD2 3.09Å
360	I	98.1	Very high	97.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.142	C	C	.	.			trans	-88.2	124.1	176	-54.1	179.4	0	0	0	108.2	M355 R356 Q358 Q362 P691 T692 Q698 R702 L705	M355-I360 HydrophobicContact CE-CB 3.75Å; M355-I360 HydrophobicContact CE-CG2 3.42Å; M355-I360 VanDerWaalsContact CE-CG2 3.42Å; M355-I360 PolarHBondContact O-N 2.79Å; M355-I360 HydrophobicContact SD-CB 4.16Å; M355-I360 HydrophobicContact SD-CD1 4.16Å; M355-I360 HydrophobicContact SD-CG2 4.2Å; R356-I360 PolarHBondContact NH1-O 3.06Å; Q358-I360 HydrophobicContact CB-CD1 4.07Å; Q358-I360 HydrophobicContact CB-CG1 3.97Å; Q358-I360 PolarHBondContact O-N 2.7Å; I360-Q362 PolarHBondContact O-N 3.39Å; I360-P691 HydrophobicContact CD1-CB 3.68Å; I360-P691 HydrophobicContact CG2-CB 4.33Å; I360-T692 HydrophobicContact CD1-CG2 4.06Å; I360-Q698 HydrophobicContact CD1-CB 4.26Å; I360-Q698 HydrophobicContact CD1-CG 4.17Å; I360-R702 HydrophobicContact CG1-CB 4.45Å; I360-L705 HydrophobicContact CG2-CD1 3.92Å
361	P	98.1	Very high	97.5	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.039	12%	0.12	C	C	.	.			trans	-57.9	134.9	176.8	-25.4	34.9	0	0	0	111.9	F335 L705 Y709 L823	F335-P361 WeakPolarHBondContact CD1-O 3.44Å; P361-L705 HydrophobicContact CB-CB 4.32Å; P361-L705 HydrophobicContact CG-CB 4.02Å; P361-Y709 HydrophobicContact CB-CD1 4.27Å; P361-Y709 HydrophobicContact CB-CD2 4.15Å; P361-Y709 HydrophobicContact CB-CE1 3.84Å; P361-Y709 HydrophobicContact CB-CE2 3.65Å; P361-Y709 HydrophobicContact CB-CG 4.4Å; P361-Y709 VanDerWaalsContact CB-CZ 3.46Å; P361-L823 VanDerWaalsContact CA-O 3.29Å; P361-L823 WeakPolarHBondContact CA-O 3.43Å
362	Q	98.3	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.			trans	-152.9	124.4	177.4	-178.2	-164.1	15.9	0	0	109	F335 M355 R356 I360 L401 L823	F335-Q362 HydrophobicContact CD1-CB 4.44Å; F335-Q362 HydrophobicContact CD1-CG 4.49Å; M355-Q362 HydrophobicContact CE-CB 4.06Å; R356-Q362 PolarHBondContact NH2-O 3.14Å; I360-Q362 PolarHBondContact O-N 3.39Å; Q362-L401 HydrophobicContact CG-CD1 4.05Å; Q362-L823 PolarHBondContact N-O 3.5Å
363	D	98.6	Very high	97.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.133	C	C	.	.			trans	-104.3	-36.2	178.2	-80.2	-99.7	0	0	0	112	W331 F335 R402 Y709 N824 T825	W331-D363 WeakPolarHBondContact O-CB 3.36Å; F335-D363 PolarHBondContact O-N 3.07Å; D363-R402 WeakPolarHBondContact O-CB 3.35Å; D363-R402 PolarHBondContact O-N 3.26Å; D363-Y709 VanDerWaalsContact OD2-CE1 3.24Å; D363-Y709 WeakPolarHBondContact OD2-CE1 3.34Å; D363-Y709 PolarHBondContact OD2-OH 2.97Å; D363-N824 WeakPolarHBondContact OD2-CA 3.36Å; D363-T825 WeakPolarHBondContact OD1-CB 3.41Å; D363-T825 WeakPolarHBondContact OD1-CG2 3.08Å; D363-T825 PolarHBondContact OD1-N 3.47Å; D363-T825 PolarHBondContact OD1-OG1 2.89Å; D363-T825 PolarHBondContact OD2-N 3.48Å
364	V	98.8	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.4	-169.5	-167.1	0	0	0	0	111.2	W331 F335 H336 L337 Y366 R402 V404	W331-V364 HydrophobicContact CE3-CG2 3.62Å; W331-V364 HydrophobicContact CZ3-CG1 4.37Å; W331-V364 HydrophobicContact CZ3-CG2 3.58Å; F335-V364 PolarHBondContact O-N 3.4Å; F335-V364 VanDerWaalsContact O-N 3.13Å; H336-V364 HydrophobicContact CB-CB 4.22Å; H336-V364 VanDerWaalsContact CE1-CG2 3.47Å; H336-V364 WeakPolarHBondContact CE1-CG2 3.21Å; H336-V364 WeakPolarHBondContact NE2-CG2 3.37Å; L337-V364 PolarHBondContact N-O 2.91Å; V364-Y366 HydrophobicContact CB-CE2 4.13Å; V364-Y366 HydrophobicContact CG1-CD2 3.97Å; V364-Y366 HydrophobicContact CG1-CE2 3.45Å; V364-Y366 VanDerWaalsContact CG1-CE2 3.45Å; V364-R402 CarbonylContact C-O 3.54Å; V364-R402 WeakPolarHBondContact CA-O 3.37Å; V364-R402 HydrophobicContact CG2-CB 4.26Å; V364-V404 HydrophobicContact CG1-CB 4.12Å; V364-V404 HydrophobicContact CG1-CG2 3.53Å
365	Q	98.5	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.4	169.7	-178.1	64	53.3	0	0	109.8	L337 Y342 V348 V352 L401 R402 W403 V404	L337-Q365 PolarHBondContact O-NE2 3.16Å; Y342-Q365 PolarHBondContact OH-NE2 3.34Å; V348-Q365 HydrophobicContact CG1-CG 4.12Å; V352-Q365 HydrophobicContact CG2-CG 4.14Å; Q365-L401 HydrophobicContact CB-CD1 4.3Å; Q365-L401 HydrophobicContact CB-CD2 3.85Å; Q365-L401 HydrophobicContact CB-CG 4.21Å; Q365-R402 PolarHBondContact N-O 3.28Å; Q365-W403 HydrophobicContact CB-CD2 4.19Å; Q365-W403 HydrophobicContact CB-CE3 4.04Å; Q365-W403 HydrophobicContact CB-CH2 4.19Å; Q365-W403 HydrophobicContact CB-CZ2 4.31Å; Q365-W403 HydrophobicContact CB-CZ3 4.04Å; Q365-W403 HydrophobicContact CG-CE3 3.94Å; Q365-W403 HydrophobicContact CG-CH2 3.6Å; Q365-W403 HydrophobicContact CG-CZ2 4.17Å; Q365-W403 HydrophobicContact CG-CZ3 3.45Å; Q365-W403 VanDerWaalsContact CG-CZ3 3.45Å; Q365-W403 WeakPolarHBondContact O-CA 3.44Å; Q365-V404 PolarHBondContact O-N 2.93Å; Q365-V404 VanDerWaalsContact O-N 3.07Å
366	Y	98.3	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	156.5	174.3	-67.8	-117.7	0	0	0	110.3	H336 L337 C338 V364 V404 W496 F597	H336-Y366 HydrophobicContact CB-CD2 4.5Å; H336-Y366 HydrophobicContact CB-CE2 3.73Å; H336-Y366 AromaticContact CG-CE2 3.85Å; H336-Y366 AromaticContact ND1-CE2 3.3Å; H336-Y366 VanDerWaalsContact ND1-CE2 3.3Å; H336-Y366 WeakPolarHBondContact ND1-CE2 3.29Å; H336-Y366 AromaticContact ND1-CZ 3.5Å; H336-Y366 PolarHBondContact ND1-OH 3Å; L337-Y366 WeakPolarHBondContact O-CD2 3.33Å; L337-Y366 PolarHBondContact O-N 2.96Å; C338-Y366 HydrophobicContact CB-CD1 4.48Å; C338-Y366 HydrophobicContact CB-CD2 4.15Å; C338-Y366 HydrophobicContact CB-CG 3.85Å; C338-Y366 WeakPolarHBondContact SG-CB 3.01Å; V364-Y366 HydrophobicContact CB-CE2 4.13Å; V364-Y366 HydrophobicContact CG1-CD2 3.97Å; V364-Y366 HydrophobicContact CG1-CE2 3.45Å; V364-Y366 VanDerWaalsContact CG1-CE2 3.45Å; Y366-V404 VanDerWaalsContact CA-O 3.3Å; Y366-V404 WeakPolarHBondContact CA-O 3.45Å; Y366-V404 HydrophobicContact CD1-CB 3.8Å; Y366-V404 HydrophobicContact CD1-CG1 3.75Å; Y366-V404 HydrophobicContact CD2-CB 4.34Å; Y366-V404 HydrophobicContact CE1-CB 3.52Å; Y366-V404 HydrophobicContact CE1-CG1 3.24Å; Y366-V404 HydrophobicContact CE1-CG2 4.4Å; Y366-V404 HydrophobicContact CE2-CB 4.04Å; Y366-V404 HydrophobicContact CE2-CG2 4.4Å; Y366-V404 HydrophobicContact CG-CB 4.2Å; Y366-W496 HydrophobicContact CD1-CE3 4.14Å; Y366-W496 HydrophobicContact CE1-CB 4.37Å; Y366-W496 HydrophobicContact CE1-CE3 4.48Å; Y366-F597 VanDerWaalsContact OH-CE1 3.28Å; Y366-F597 WeakPolarHBondContact OH-CE1 3.47Å
367	V	96.4	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.5	154.1	-166.3	0	0	0	0	105.9	Y342 V348 Y371 F385 L388 W403 F405	Y342-V367 HydrophobicContact CD2-CG1 4.27Å; V348-V367 HydrophobicContact CG1-CG2 4.47Å; V348-V367 HydrophobicContact CG2-CG2 4.37Å; V367-Y371 HydrophobicContact CB-CD1 4.05Å; V367-Y371 HydrophobicContact CG1-CD1 4.17Å; V367-Y371 HydrophobicContact CG1-CG 4.47Å; V367-F385 HydrophobicContact CG1-CE1 4Å; V367-F385 HydrophobicContact CG1-CZ 4.35Å; V367-L388 HydrophobicContact CG2-CD1 4.15Å; V367-W403 HydrophobicContact CG2-CZ3 3.85Å; V367-F405 HydrophobicContact CB-CD1 4.22Å; V367-F405 HydrophobicContact CB-CE1 3.99Å; V367-F405 HydrophobicContact CG2-CE1 3.89Å
368	D	97.3	Very high	97.2	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.043	10%	0.096	C	C	.	.			trans	-67.5	-171.3	174	-147.9	-55.6	0	0	0	110.6	R339 Y340 D370 Y371 I406 W496 H675	R339-D368 WeakPolarHBondContact O-CB 3.18Å; Y340-D368 WeakPolarHBondContact CB-OD2 3.04Å; Y340-D368 HydrophobicContact CD2-CB 4.29Å; D368-D370 PolarHBondContact O-N 3.31Å; D368-Y371 WeakPolarHBondContact O-CD1 3.49Å; D368-Y371 PolarHBondContact O-N 2.88Å; D368-I406 VanDerWaalsContact C-CG2 3.42Å; D368-W496 WeakPolarHBondContact OD2-CH2 3.43Å; D368-W496 WeakPolarHBondContact OD2-CZ3 2.96Å; D368-H675 IonicContact OD2-CE1 3.55Å; D368-H675 PolarHBondContact OD2-CE1 3.08Å; D368-H675 IonicContact OD2-NE2 2.58Å; D368-H675 PolarHBondContact OD2-NE2 2.82Å
369	I	96.9	Very high	97.1	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.015	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-54.4	-14.3	-175.6	62.2	173.6	0	0	0	113.9	Y340 Y371 M372 I406 W460	Y340-I369 HydrophobicContact CD2-CG1 4.12Å; Y340-I369 HydrophobicContact CE2-CD1 3.94Å; Y340-I369 HydrophobicContact CE2-CG1 3.74Å; I369-Y371 PolarHBondContact O-N 2.87Å; I369-Y371 VanDerWaalsContact O-N 3.14Å; I369-M372 HydrophobicContact CB-SD 4.26Å; I369-M372 HydrophobicContact CG2-CE 4.19Å; I369-M372 HydrophobicContact CG2-SD 4.29Å; I369-M372 VanDerWaalsContact O-CB 3.27Å; I369-M372 WeakPolarHBondContact O-CB 3.44Å; I369-M372 PolarHBondContact O-N 3.44Å; I369-I406 HydrophobicContact CB-CG2 4.5Å; I369-I406 HydrophobicContact CG2-CD1 3.88Å; I369-I406 HydrophobicContact CG2-CG1 4.27Å; I369-I406 HydrophobicContact CG2-CG2 3.78Å; I369-I406 VanDerWaalsContact N-CG2 3.34Å; I369-W460 HydrophobicContact CD1-CB 4.07Å; I369-W460 HydrophobicContact CD1-CD2 3.72Å; I369-W460 HydrophobicContact CD1-CE3 3.99Å; I369-W460 HydrophobicContact CD1-CG 3.77Å
370	D	96.7	Very high	97.1	Very high	16 Å²	16	12.3 Å²	12.3	9%	0.086	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.3	177.6	-53.8	-71	0	0	0	113.7	G341 Y342 D368 M372 F385 K678	G341-D370 WeakPolarHBondContact CA-OD1 3.44Å; G341-D370 WeakPolarHBondContact CA-OD2 3.24Å; G341-D370 VanDerWaalsContact N-CG 3.34Å; G341-D370 PolarHBondContact N-OD1 2.52Å; G341-D370 PolarHBondContact N-OD2 3.42Å; Y342-D370 PolarHBondContact N-OD2 2.84Å; Y342-D370 VanDerWaalsContact N-OD2 3.1Å; Y342-D370 VanDerWaalsContact O-CB 3.29Å; Y342-D370 WeakPolarHBondContact O-CB 3.23Å; D368-D370 PolarHBondContact O-N 3.31Å; D370-M372 PolarHBondContact O-N 3Å; D370-F385 HydrophobicContact CB-CE2 4.22Å; D370-F385 HydrophobicContact CB-CZ 3.99Å; D370-F385 WeakPolarHBondContact O-CE2 3.31Å; D370-K678 IonicContact OD1-NZ 3.2Å
371	Y	97.9	Very high	97.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-71.8	-17.6	-180	80.3	-94.3	0	0	0	113.1	V367 D368 I369 T379 I380 D381 L388 F405 I406 F486 L490	V367-Y371 HydrophobicContact CB-CD1 4.05Å; V367-Y371 HydrophobicContact CG1-CD1 4.17Å; V367-Y371 HydrophobicContact CG1-CG 4.47Å; D368-Y371 WeakPolarHBondContact O-CD1 3.49Å; D368-Y371 PolarHBondContact O-N 2.88Å; I369-Y371 PolarHBondContact O-N 2.87Å; I369-Y371 VanDerWaalsContact O-N 3.14Å; Y371-T379 WeakPolarHBondContact CE2-O 3.06Å; Y371-I380 HydrophobicContact CD2-CG1 4.4Å; Y371-I380 CarbonylContact O-C 3.54Å; Y371-I380 WeakPolarHBondContact O-CA 3.07Å; Y371-D381 PolarHBondContact O-N 2.95Å; Y371-L388 HydrophobicContact CD2-CD2 4.49Å; Y371-L388 HydrophobicContact CG-CD2 4.21Å; Y371-F405 AromaticContact CD1-CD1 3.77Å; Y371-F405 HydrophobicContact CD1-CD1 3.77Å; Y371-F405 HydrophobicContact CD1-CE1 4.37Å; Y371-F405 HydrophobicContact CE1-CB 4.03Å; Y371-F405 AromaticContact CE1-CD1 3.6Å; Y371-F405 HydrophobicContact CE1-CD1 3.6Å; Y371-F405 HydrophobicContact CE1-CG 4.25Å; Y371-F405 HydrophobicContact CG-CD1 4.37Å; Y371-I406 HydrophobicContact CE1-CG2 4.23Å; Y371-I406 PolarHBondContact OH-O 2.97Å; Y371-I406 VanDerWaalsContact OH-O 3.06Å; Y371-F486 AromaticContact CE2-CZ 3.88Å; Y371-F486 HydrophobicContact CE2-CZ 3.88Å; Y371-L490 HydrophobicContact CD2-CD1 4.17Å; Y371-L490 HydrophobicContact CE2-CD1 3.94Å
372	M	97.5	Very high	97.1	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.02	9%	0.091	C	C	.	.	S	Bend	trans	-79.9	144.6	-174.4	-59.3	178.5	-175.1	0	0	110.8	I369 D370 E374 I406	I369-M372 HydrophobicContact CB-SD 4.26Å; I369-M372 HydrophobicContact CG2-CE 4.19Å; I369-M372 HydrophobicContact CG2-SD 4.29Å; I369-M372 VanDerWaalsContact O-CB 3.27Å; I369-M372 WeakPolarHBondContact O-CB 3.44Å; I369-M372 PolarHBondContact O-N 3.44Å; D370-M372 PolarHBondContact O-N 3Å; M372-E374 PolarHBondContact O-N 3.27Å; M372-I406 HydrophobicContact CE-CG2 3.86Å; M372-I406 WeakPolarHBondContact CE-O 3.36Å
373	N	96.4	Very high	97	Very high	51 Å²	51	25.1 Å²	25.1	27%	0.273	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-73.8	113.2	174.1	-174.4	47.1	0	0	0	109.9	N375 A376 T379 D381 R415	N373-N375 PolarHBondContact O-N 3.5Å; N373-A376 WeakPolarHBondContact O-CB 3.05Å; N373-A376 PolarHBondContact O-N 2.68Å; N373-A376 VanDerWaalsContact O-N 3.15Å; N373-T379 WeakPolarHBondContact CB-OG1 3.48Å; N373-T379 PolarHBondContact N-OG1 3.08Å; N373-D381 HydrophobicContact CB-CB 4.48Å; N373-R415 PolarHBondContact ND2-NH2 3.2Å; N373-R415 PolarHBondContact O-NH1 2.83Å; N373-R415 VanDerWaalsContact O-NH1 3.11Å
374	E	95.3	Very high	97	Very high	85 Å²	85	28.6 Å²	28.6	40%	0.397	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	54.2	39.5	-177.2	-54.7	166.4	146.2	0	0	112.1	M372 A376 R415 P461 Y462	M372-E374 PolarHBondContact O-N 3.27Å; E374-A376 PolarHBondContact O-N 3.42Å; E374-A376 VanDerWaalsContact O-N 3.12Å; E374-R415 IonicContact OE2-CZ 3.52Å; E374-R415 IonicContact OE2-NH1 3.53Å; E374-R415 PolarHBondContact OE2-NH1 2.7Å; E374-R415 IonicContact OE2-NH2 3.53Å; E374-R415 PolarHBondContact OE2-NH2 2.72Å; E374-P461 WeakPolarHBondContact O-CA 3.48Å; E374-Y462 HydrophobicContact CB-CD1 4.5Å; E374-Y462 HydrophobicContact CB-CD2 3.54Å; E374-Y462 HydrophobicContact CB-CE2 4.01Å; E374-Y462 HydrophobicContact CB-CG 3.82Å; E374-Y462 HydrophobicContact CG-CD2 3.72Å; E374-Y462 HydrophobicContact CG-CE2 4.06Å; E374-Y462 HydrophobicContact CG-CG 4.46Å; E374-Y462 PolarHBondContact O-N 2.87Å
375	N	95.8	Very high	97	Very high	24 Å²	24	28.8 Å²	28.8	13%	0.128	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	56.3	22	-178	-56.3	-13.3	0	0	0	114.5	N373 W460 P461	N373-N375 PolarHBondContact O-N 3.5Å; N375-W460 HydrophobicContact CB-CB 4.05Å; N375-W460 VanDerWaalsContact CB-O 3.32Å; N375-W460 WeakPolarHBondContact CB-O 3.42Å; N375-W460 PolarHBondContact ND2-O 2.66Å; N375-P461 WeakPolarHBondContact O-CG 3.2Å
376	A	96.6	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.			trans	-89.1	126.5	-179.3	0	0	0	0	0	112.1	N373 E374 T379 N412 Y418	N373-A376 WeakPolarHBondContact O-CB 3.05Å; N373-A376 PolarHBondContact O-N 2.68Å; N373-A376 VanDerWaalsContact O-N 3.15Å; E374-A376 PolarHBondContact O-N 3.42Å; E374-A376 VanDerWaalsContact O-N 3.12Å; A376-T379 HydrophobicContact CB-CG2 4.23Å; A376-T379 WeakPolarHBondContact O-CB 3.03Å; A376-T379 PolarHBondContact O-N 3.48Å; A376-T379 PolarHBondContact O-OG1 3.31Å; A376-N412 HydrophobicContact CB-CB 4.4Å; A376-Y418 HydrophobicContact CB-CE2 4.39Å
377	D	95.8	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	151.6	177.8	-67.5	-68.2	0	0	0	114.4	T379 V407 D408 Y418	D377-T379 PolarHBondContact O-N 2.87Å; D377-T379 VanDerWaalsContact O-N 3.15Å; D377-V407 WeakPolarHBondContact OD1-CA 3.42Å; D377-D408 PolarHBondContact OD1-N 3.4Å; D377-D408 VanDerWaalsContact OD2-O 3.1Å; D377-Y418 PolarHBondContact N-OH 3.1Å; D377-Y418 VanDerWaalsContact O-CE2 3.28Å; D377-Y418 WeakPolarHBondContact O-CE2 3.48Å; D377-Y418 PolarHBondContact O-OH 3.16Å
378	F	95.7	Very high	97	Very high	23 Å²	23	34 Å²	34	10%	0.101	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.2	179.7	-48.6	-74.2	0	0	0	114.5	V407 I411 P420 W479 L482 I483 F486	F378-V407 HydrophobicContact CE1-CG1 4.32Å; F378-I411 HydrophobicContact CE2-CD1 4.4Å; F378-P420 HydrophobicContact CB-CG 4.45Å; F378-P420 HydrophobicContact CD2-CG 3.76Å; F378-P420 HydrophobicContact CG-CG 4.49Å; F378-W479 HydrophobicContact CE2-CE3 4.13Å; F378-W479 AromaticContact CE2-CH2 3.92Å; F378-W479 HydrophobicContact CE2-CH2 3.92Å; F378-W479 AromaticContact CE2-CZ3 3.55Å; F378-W479 HydrophobicContact CE2-CZ3 3.55Å; F378-W479 HydrophobicContact CZ-CD2 4.46Å; F378-W479 HydrophobicContact CZ-CE3 4.02Å; F378-W479 AromaticContact CZ-CH2 3.73Å; F378-W479 HydrophobicContact CZ-CH2 3.73Å; F378-W479 HydrophobicContact CZ-CZ2 4.18Å; F378-W479 AromaticContact CZ-CZ3 3.64Å; F378-W479 HydrophobicContact CZ-CZ3 3.64Å; F378-L482 HydrophobicContact CD1-CB 4.12Å; F378-L482 HydrophobicContact CD2-CB 4.21Å; F378-L482 HydrophobicContact CD2-CD1 4.07Å; F378-L482 HydrophobicContact CE1-CB 3.79Å; F378-L482 HydrophobicContact CE2-CB 3.9Å; F378-L482 HydrophobicContact CE2-CD1 3.7Å; F378-L482 HydrophobicContact CE2-CG 4.42Å; F378-L482 HydrophobicContact CG-CB 4.31Å; F378-L482 HydrophobicContact CZ-CB 3.67Å; F378-L482 HydrophobicContact CZ-CD1 4.22Å; F378-I483 HydrophobicContact CE1-CG1 3.9Å; F378-I483 HydrophobicContact CZ-CG1 4.24Å; F378-F486 HydrophobicContact CB-CD2 4.16Å; F378-F486 HydrophobicContact CD1-CB 3.77Å; F378-F486 HydrophobicContact CD1-CD1 4.22Å; F378-F486 HydrophobicContact CD1-CD2 4.39Å; F378-F486 AromaticContact CD1-CG 3.9Å; F378-F486 HydrophobicContact CD1-CG 3.9Å; F378-F486 HydrophobicContact CE1-CB 4.49Å
379	T	96.1	Very high	97.1	Very high	22 Å²	22	34.7 Å²	34.7	14%	0.135	18%	0.18	C	C	.	.			trans	-123.2	167.1	173.4	73.7	0	0	0	0	112.3	Y371 N373 A376 D377 Y418	Y371-T379 WeakPolarHBondContact CE2-O 3.06Å; N373-T379 WeakPolarHBondContact CB-OG1 3.48Å; N373-T379 PolarHBondContact N-OG1 3.08Å; A376-T379 HydrophobicContact CB-CG2 4.23Å; A376-T379 WeakPolarHBondContact O-CB 3.03Å; A376-T379 PolarHBondContact O-N 3.48Å; A376-T379 PolarHBondContact O-OG1 3.31Å; D377-T379 PolarHBondContact O-N 2.87Å; D377-T379 VanDerWaalsContact O-N 3.15Å; T379-Y418 HydrophobicContact CG2-CD2 4.1Å; T379-Y418 HydrophobicContact CG2-CE2 3.61Å
380	I	97	Very high	97.1	Very high	14 Å²	14	40 Å²	40	7%	0.072	21%	0.208	C	C	.	.			trans	-127.7	131.1	167.5	-59	179.1	0	0	0	107.8	Y371 R382 F385 P389 T489 L490	Y371-I380 HydrophobicContact CD2-CG1 4.4Å; Y371-I380 CarbonylContact O-C 3.54Å; Y371-I380 WeakPolarHBondContact O-CA 3.07Å; I380-R382 PolarHBondContact O-N 2.81Å; I380-R382 VanDerWaalsContact O-N 3.09Å; I380-F385 HydrophobicContact CG2-CB 4.07Å; I380-F385 WeakPolarHBondContact CG2-O 3.35Å; I380-P389 HydrophobicContact CD1-CG 3.77Å; I380-T489 HydrophobicContact CD1-CG2 3.54Å; I380-T489 HydrophobicContact CG1-CG2 4.02Å; I380-L490 HydrophobicContact CD1-CD1 4.25Å; I380-L490 HydrophobicContact CD1-CD2 3.74Å; I380-L490 HydrophobicContact CD1-CG 3.8Å; I380-L490 HydrophobicContact CG1-CD1 4.32Å; I380-L490 HydrophobicContact CG1-CG 4.36Å
381	D	97.5	Very high	97.2	Very high	18 Å²	18	39.3 Å²	39.3	10%	0.096	21%	0.205	C	C	.	.			trans	-67.4	101.8	165.6	177.8	9.7	0	0	0	109.8	Y371 N373 T383 N384 F385	Y371-D381 PolarHBondContact O-N 2.95Å; N373-D381 HydrophobicContact CB-CB 4.48Å; D381-T383 PolarHBondContact O-N 3.42Å; D381-T383 WeakPolarHBondContact OD1-CA 3.49Å; D381-T383 WeakPolarHBondContact OD1-CB 3.2Å; D381-T383 PolarHBondContact OD1-N 2.9Å; D381-T383 PolarHBondContact OD1-OG1 3.31Å; D381-N384 WeakPolarHBondContact OD2-CB 3.44Å; D381-N384 PolarHBondContact OD2-N 3.32Å; D381-N384 PolarHBondContact OD2-ND2 2.84Å; D381-F385 HydrophobicContact CB-CD2 4.36Å; D381-F385 CarbonylContact O-C 3.56Å; D381-F385 VanDerWaalsContact O-CA 3.31Å; D381-F385 WeakPolarHBondContact O-CA 3.29Å; D381-F385 WeakPolarHBondContact O-CB 3.45Å; D381-F385 PolarHBondContact O-N 3.09Å
382	R	96.8	Very high	97.2	Very high	145 Å²	145	39.3 Å²	39.3	55%	0.547	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.7	179	-62.3	-61.4	-172.6	167.1	-1.3	113.6	I380 P386	I380-R382 PolarHBondContact O-N 2.81Å; I380-R382 VanDerWaalsContact O-N 3.09Å; R382-P386 PolarHBondContact NH1-O 3.04Å; R382-P386 WeakPolarHBondContact O-CB 3.39Å
383	T	98.2	Very high	97.2	Very high	113 Å²	113	43.1 Å²	43.1	69%	0.693	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-54.8	175.2	-46.8	0	0	0	0	110.5	D381	D381-T383 PolarHBondContact O-N 3.42Å; D381-T383 WeakPolarHBondContact OD1-CA 3.49Å; D381-T383 WeakPolarHBondContact OD1-CB 3.2Å; D381-T383 PolarHBondContact OD1-N 2.9Å; D381-T383 PolarHBondContact OD1-OG1 3.31Å
384	N	98.2	Very high	97.3	Very high	75 Å²	75	45.3 Å²	45.3	40%	0.401	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-24.3	-175.9	-63.6	-55.5	0	0	0	113.4	Q343 N344 T345 D381 P386	Q343-N384 WeakPolarHBondContact O-CB 3.47Å; N344-N384 WeakPolarHBondContact CA-O 3.47Å; N344-N384 HydrophobicContact CB-CB 4.31Å; N344-N384 WeakPolarHBondContact CB-O 3.32Å; T345-N384 PolarHBondContact N-O 3.43Å; D381-N384 WeakPolarHBondContact OD2-CB 3.44Å; D381-N384 PolarHBondContact OD2-N 3.32Å; D381-N384 PolarHBondContact OD2-ND2 2.84Å; N384-P386 WeakPolarHBondContact O-CD 3.11Å
385	F	98.5	Very high	97.4	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	22%	0.221	C	C	.	.			trans	-122.2	42.5	-179.1	-62	-92.1	0	0	0	113.9	Y342 T345 V348 V367 D370 I380 D381 D387 L388	Y342-F385 VanDerWaalsContact O-CZ 3.31Å; Y342-F385 WeakPolarHBondContact O-CZ 3.38Å; T345-F385 WeakPolarHBondContact OG1-CA 3.34Å; V348-F385 HydrophobicContact CG2-CE1 4.4Å; V367-F385 HydrophobicContact CG1-CE1 4Å; V367-F385 HydrophobicContact CG1-CZ 4.35Å; D370-F385 HydrophobicContact CB-CE2 4.22Å; D370-F385 HydrophobicContact CB-CZ 3.99Å; D370-F385 WeakPolarHBondContact O-CE2 3.31Å; I380-F385 HydrophobicContact CG2-CB 4.07Å; I380-F385 WeakPolarHBondContact CG2-O 3.35Å; D381-F385 HydrophobicContact CB-CD2 4.36Å; D381-F385 CarbonylContact O-C 3.56Å; D381-F385 VanDerWaalsContact O-CA 3.31Å; D381-F385 WeakPolarHBondContact O-CA 3.29Å; D381-F385 WeakPolarHBondContact O-CB 3.45Å; D381-F385 PolarHBondContact O-N 3.09Å; F385-D387 VanDerWaalsContact C-N 3.29Å; F385-D387 PolarHBondContact O-N 2.81Å; F385-L388 HydrophobicContact CB-CB 3.97Å; F385-L388 HydrophobicContact CB-CD2 4.23Å; F385-L388 HydrophobicContact CD1-CB 4.39Å; F385-L388 HydrophobicContact CD1-CD2 4.05Å; F385-L388 HydrophobicContact CG-CD2 4.45Å; F385-L388 PolarHBondContact O-N 2.95Å
386	P	97.3	Very high	97.4	Very high	66 Å²	66	43.4 Å²	43.4	43%	0.429	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.3	-173.7	23.8	-33.1	0	0	0	113.5	R382 N384	R382-P386 PolarHBondContact NH1-O 3.04Å; R382-P386 WeakPolarHBondContact O-CB 3.39Å; N384-P386 WeakPolarHBondContact O-CD 3.11Å
387	D	97.7	Very high	97.4	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.241	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	10.2	-172.7	64.7	-30.9	0	0	0	113.1	T345 R349 F385 D390 L391	T345-D387 WeakPolarHBondContact CB-OD1 3.47Å; T345-D387 WeakPolarHBondContact CG2-OD1 3.11Å; T345-D387 PolarHBondContact OG1-OD1 2.85Å; R349-D387 IonicContact CZ-OD2 3.19Å; R349-D387 IonicContact NH1-OD2 2.68Å; R349-D387 IonicContact NH2-OD2 2.88Å; R349-D387 PolarHBondContact NH2-OD2 2.83Å; F385-D387 VanDerWaalsContact C-N 3.29Å; F385-D387 PolarHBondContact O-N 2.81Å; D387-D390 WeakPolarHBondContact O-CB 3.43Å; D387-D390 PolarHBondContact O-N 3.3Å; D387-L391 PolarHBondContact O-N 3.31Å
388	L	98.4	Very high	97.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.3	-44.2	176.3	176.5	64.8	0	0	0	112.7	T345 V367 Y371 F385 D390 L391 V392 W403 F405 L490	T345-L388 HydrophobicContact CG2-CB 4.4Å; V367-L388 HydrophobicContact CG2-CD1 4.15Å; Y371-L388 HydrophobicContact CD2-CD2 4.49Å; Y371-L388 HydrophobicContact CG-CD2 4.21Å; F385-L388 HydrophobicContact CB-CB 3.97Å; F385-L388 HydrophobicContact CB-CD2 4.23Å; F385-L388 HydrophobicContact CD1-CB 4.39Å; F385-L388 HydrophobicContact CD1-CD2 4.05Å; F385-L388 HydrophobicContact CG-CD2 4.45Å; F385-L388 PolarHBondContact O-N 2.95Å; L388-D390 PolarHBondContact O-N 3.11Å; L388-L391 PolarHBondContact O-N 2.91Å; L388-V392 HydrophobicContact CD1-CG2 4.22Å; L388-V392 HydrophobicContact CG-CG2 4.44Å; L388-V392 VanDerWaalsContact O-CG2 3.25Å; L388-V392 WeakPolarHBondContact O-CG2 3.36Å; L388-V392 PolarHBondContact O-N 3.09Å; L388-W403 HydrophobicContact CD1-CH2 4.47Å; L388-W403 HydrophobicContact CD1-CZ3 4.26Å; L388-F405 HydrophobicContact CD2-CE1 4.11Å; L388-L490 HydrophobicContact CD2-CD2 4.44Å; L388-L490 HydrophobicContact CG-CD2 4.32Å
389	P	98.2	Very high	97	Very high	22 Å²	22	61.1 Å²	61.1	14%	0.143	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-34.2	174.8	-23.9	33.3	0	0	0	113.9	I380 T393 L490	I380-P389 HydrophobicContact CD1-CG 3.77Å; P389-T393 PolarHBondContact O-N 2.85Å; P389-T393 VanDerWaalsContact O-N 3.07Å; P389-T393 PolarHBondContact O-OG1 3.47Å; P389-L490 HydrophobicContact CB-CD2 4.28Å; P389-L490 HydrophobicContact CG-CD2 3.91Å
390	D	98	Very high	96.9	Very high	113 Å²	113	61 Å²	61	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-72.1	-44.2	178.6	-65.6	-29.9	0	0	0	110.6	D387 L388 V392 T393 E394	D387-D390 WeakPolarHBondContact O-CB 3.43Å; D387-D390 PolarHBondContact O-N 3.3Å; L388-D390 PolarHBondContact O-N 3.11Å; D390-V392 VanDerWaalsContact C-N 3.31Å; D390-V392 PolarHBondContact O-N 3.45Å; D390-T393 PolarHBondContact O-N 2.81Å; D390-E394 WeakPolarHBondContact O-CB 3.45Å; D390-E394 PolarHBondContact O-N 2.81Å
391	L	98.1	Very high	97	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-44.1	174.3	177.2	65.6	0	0	0	111.5	T345 V348 R349 D387 L388 E394 T395 W403	T345-L391 HydrophobicContact CG2-CB 3.88Å; T345-L391 HydrophobicContact CG2-CD2 3.6Å; T345-L391 HydrophobicContact CG2-CG 4.34Å; V348-L391 HydrophobicContact CB-CD2 4.21Å; V348-L391 HydrophobicContact CG1-CD2 4.06Å; R349-L391 HydrophobicContact CB-CD1 4.04Å; R349-L391 HydrophobicContact CB-CD2 4.2Å; R349-L391 HydrophobicContact CG-CD1 3.97Å; D387-L391 PolarHBondContact O-N 3.31Å; L388-L391 PolarHBondContact O-N 2.91Å; L391-E394 PolarHBondContact O-N 3.5Å; L391-T395 HydrophobicContact CD1-CG2 3.74Å; L391-T395 HydrophobicContact CG-CG2 4.35Å; L391-T395 WeakPolarHBondContact O-CB 3.27Å; L391-T395 WeakPolarHBondContact O-CG2 3.25Å; L391-T395 PolarHBondContact O-N 2.92Å; L391-T395 PolarHBondContact O-OG1 3.32Å; L391-W403 HydrophobicContact CD2-CH2 3.92Å; L391-W403 HydrophobicContact CD2-CZ2 4.32Å; L391-W403 HydrophobicContact CG-CH2 4.22Å; L391-W403 HydrophobicContact CG-CZ2 4.13Å
392	V	98.2	Very high	97	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-49.6	177.2	173.9	0	0	0	0	110.2	L388 D390 E394 T395 R396 W403 F405 A491	L388-V392 HydrophobicContact CD1-CG2 4.22Å; L388-V392 HydrophobicContact CG-CG2 4.44Å; L388-V392 VanDerWaalsContact O-CG2 3.25Å; L388-V392 WeakPolarHBondContact O-CG2 3.36Å; L388-V392 PolarHBondContact O-N 3.09Å; D390-V392 VanDerWaalsContact C-N 3.31Å; D390-V392 PolarHBondContact O-N 3.45Å; V392-E394 PolarHBondContact O-N 3.2Å; V392-T395 PolarHBondContact O-OG1 3.2Å; V392-R396 HydrophobicContact CG1-CG 4.45Å; V392-R396 VanDerWaalsContact O-CB 3.3Å; V392-R396 WeakPolarHBondContact O-CB 3.16Å; V392-R396 WeakPolarHBondContact O-CG 3.48Å; V392-R396 PolarHBondContact O-N 3.29Å; V392-R396 VanDerWaalsContact O-N 3.12Å; V392-W403 HydrophobicContact CB-CD2 4.35Å; V392-W403 HydrophobicContact CB-CG 4.4Å; V392-W403 HydrophobicContact CG1-CB 4.23Å; V392-W403 HydrophobicContact CG1-CD2 4.23Å; V392-W403 HydrophobicContact CG1-CG 3.77Å; V392-W403 HydrophobicContact CG2-CD2 3.68Å; V392-W403 HydrophobicContact CG2-CE3 3.91Å; V392-W403 HydrophobicContact CG2-CG 4.08Å; V392-W403 HydrophobicContact CG2-CH2 4.34Å; V392-W403 HydrophobicContact CG2-CZ2 4.16Å; V392-W403 HydrophobicContact CG2-CZ3 4.23Å; V392-F405 HydrophobicContact CG2-CE2 4.45Å; V392-F405 HydrophobicContact CG2-CZ 3.9Å; V392-A491 HydrophobicContact CG1-CB 4.47Å; V392-A491 WeakPolarHBondContact CG1-O 3.39Å
393	T	98	Very high	97.1	Very high	83 Å²	83	53.9 Å²	53.9	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-43.7	180	-58.6	0	0	0	0	111.9	P389 D390 R397	P389-T393 PolarHBondContact O-N 2.85Å; P389-T393 VanDerWaalsContact O-N 3.07Å; P389-T393 PolarHBondContact O-OG1 3.47Å; D390-T393 PolarHBondContact O-N 2.81Å; T393-R397 PolarHBondContact O-N 2.89Å
394	E	97.6	Very high	97.1	Very high	98 Å²	98	48.5 Å²	48.5	46%	0.458	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-54	179.8	-174.8	-167.8	157.9	0	0	111.6	D390 L391 V392 R397 K398	D390-E394 WeakPolarHBondContact O-CB 3.45Å; D390-E394 PolarHBondContact O-N 2.81Å; L391-E394 PolarHBondContact O-N 3.5Å; V392-E394 PolarHBondContact O-N 3.2Å; E394-R397 PolarHBondContact O-N 3.17Å; E394-K398 VanDerWaalsContact O-CB 3.27Å; E394-K398 WeakPolarHBondContact O-CB 3.48Å; E394-K398 PolarHBondContact O-N 2.99Å
395	T	97.2	Very high	97.1	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-36	-173.6	53.4	0	0	0	0	112.6	V352 L391 V392 R397 N399 G400 L401 W403	V352-T395 HydrophobicContact CG1-CG2 4.35Å; L391-T395 HydrophobicContact CD1-CG2 3.74Å; L391-T395 HydrophobicContact CG-CG2 4.35Å; L391-T395 WeakPolarHBondContact O-CB 3.27Å; L391-T395 WeakPolarHBondContact O-CG2 3.25Å; L391-T395 PolarHBondContact O-N 2.92Å; L391-T395 PolarHBondContact O-OG1 3.32Å; V392-T395 PolarHBondContact O-OG1 3.2Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 3.01Å; T395-N399 PolarHBondContact O-N 2.82Å; T395-G400 PolarHBondContact O-N 2.8Å; T395-L401 HydrophobicContact CG2-CD2 4.33Å; T395-L401 PolarHBondContact O-N 3.21Å; T395-W403 WeakPolarHBondContact OG1-CZ2 3.32Å; T395-W403 PolarHBondContact OG1-NE1 3.34Å
396	R	96.4	Very high	97.1	Very high	60 Å²	60	44.8 Å²	44.8	23%	0.226	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-48.5	168.9	-76.9	177.9	66.7	115.8	25.4	111.2	V392 G400 L401 A491 Y492 D493	V392-R396 HydrophobicContact CG1-CG 4.45Å; V392-R396 VanDerWaalsContact O-CB 3.3Å; V392-R396 WeakPolarHBondContact O-CB 3.16Å; V392-R396 WeakPolarHBondContact O-CG 3.48Å; V392-R396 PolarHBondContact O-N 3.29Å; V392-R396 VanDerWaalsContact O-N 3.12Å; R396-G400 VanDerWaalsContact O-CA 3.23Å; R396-G400 WeakPolarHBondContact O-CA 3.32Å; R396-G400 PolarHBondContact O-N 2.87Å; R396-L401 WeakPolarHBondContact CA-O 3.29Å; R396-L401 WeakPolarHBondContact CG-O 3.37Å; R396-A491 WeakPolarHBondContact CD-O 3.06Å; R396-A491 PolarHBondContact NH1-O 2.81Å; R396-Y492 PolarHBondContact NH1-O 2.97Å; R396-D493 IonicContact CZ-OD1 2.88Å; R396-D493 IonicContact CZ-OD2 2.7Å; R396-D493 VanDerWaalsContact CZ-OD2 3.27Å; R396-D493 IonicContact NE-OD2 3.2Å; R396-D493 IonicContact NH1-OD1 3.65Å; R396-D493 PolarHBondContact NH1-OD1 3.01Å; R396-D493 IonicContact NH1-OD2 3.94Å; R396-D493 PolarHBondContact NH1-OD2 3.18Å; R396-D493 IonicContact NH2-OD1 2.87Å; R396-D493 PolarHBondContact NH2-OD1 2.88Å; R396-D493 IonicContact NH2-OD2 3.65Å
397	R	95.8	Very high	97.1	Very high	229 Å²	229	41.7 Å²	41.7	86%	0.864	20%	0.199	S	C	*	.	H	α-helix	trans	-71.7	-43.8	-177.7	-165.5	-170.1	87.9	145.7	3.7	112.8	T393 E394 T395	T393-R397 PolarHBondContact O-N 2.89Å; E394-R397 PolarHBondContact O-N 3.17Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 3.01Å
398	K	93.7	Very high	97.1	Very high	126 Å²	126	39.6 Å²	39.6	55%	0.548	19%	0.188	S	C	.	.	H	α-helix	trans	-73.8	-45.8	-171.4	-169.2	-168.7	176.4	178	0	111.6	E394	E394-K398 VanDerWaalsContact O-CB 3.27Å; E394-K398 WeakPolarHBondContact O-CB 3.48Å; E394-K398 PolarHBondContact O-N 2.99Å
399	N	90	Very high	97	Very high	41 Å²	41	39.6 Å²	39.6	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-128	2.6	-167	-63.6	-12.7	0	0	0	113.1	T395 L401 N824	T395-N399 PolarHBondContact O-N 2.82Å; N399-L401 PolarHBondContact O-N 3.27Å; N399-N824 PolarHBondContact O-ND2 3.32Å
400	G	95	Very high	96.9	Very high	18 Å²	18	38.6 Å²	38.6	19%	0.186	18%	0.181	C	C	.	.			trans	67.5	19.2	-177.8	0	0	0	0	0	114.5	T395 R396	T395-G400 PolarHBondContact O-N 2.8Å; R396-G400 VanDerWaalsContact O-CA 3.23Å; R396-G400 WeakPolarHBondContact O-CA 3.32Å; R396-G400 PolarHBondContact O-N 2.87Å
401	L	97.7	Very high	96.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	15%	0.152	C	C	.	.			trans	-65	133.3	178.3	-173.4	70.3	0	0	0	109.9	V352 Q362 Q365 T395 R396 N399 W403	V352-L401 HydrophobicContact CG1-CD2 4.03Å; V352-L401 HydrophobicContact CG2-CD2 4.1Å; Q362-L401 HydrophobicContact CG-CD1 4.05Å; Q365-L401 HydrophobicContact CB-CD1 4.3Å; Q365-L401 HydrophobicContact CB-CD2 3.85Å; Q365-L401 HydrophobicContact CB-CG 4.21Å; T395-L401 HydrophobicContact CG2-CD2 4.33Å; T395-L401 PolarHBondContact O-N 3.21Å; R396-L401 WeakPolarHBondContact CA-O 3.29Å; R396-L401 WeakPolarHBondContact CG-O 3.37Å; N399-L401 PolarHBondContact O-N 3.27Å; L401-W403 HydrophobicContact CD2-CZ2 4.01Å
402	R	98.2	Very high	96.7	Very high	27 Å²	27	33.1 Å²	33.1	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	151.4	177.4	-58.9	-67.8	-177.3	166.1	2.5	110.3	W331 D363 V364 Q365 D493 E857	W331-R402 HydrophobicContact CB-CG 4.24Å; W331-R402 HydrophobicContact CD2-CB 4.26Å; W331-R402 HydrophobicContact CD2-CG 3.76Å; W331-R402 HydrophobicContact CE3-CB 3.79Å; W331-R402 HydrophobicContact CE3-CG 3.76Å; W331-R402 HydrophobicContact CG-CG 3.98Å; W331-R402 HydrophobicContact CH2-CB 4.49Å; W331-R402 HydrophobicContact CZ3-CB 3.93Å; W331-R402 HydrophobicContact CZ3-CG 4.36Å; D363-R402 WeakPolarHBondContact O-CB 3.35Å; D363-R402 PolarHBondContact O-N 3.26Å; V364-R402 CarbonylContact C-O 3.54Å; V364-R402 WeakPolarHBondContact CA-O 3.37Å; V364-R402 HydrophobicContact CG2-CB 4.26Å; Q365-R402 PolarHBondContact N-O 3.28Å; R402-D493 VanDerWaalsContact CA-OD2 3.27Å; R402-D493 WeakPolarHBondContact CA-OD2 3.46Å; R402-D493 HydrophobicContact CB-CB 4.12Å; R402-D493 WeakPolarHBondContact CD-OD1 3.39Å; R402-D493 WeakPolarHBondContact CD-OD2 3.4Å; R402-D493 IonicContact CZ-OD1 3.44Å; R402-D493 IonicContact NH1-OD1 3.03Å; R402-D493 PolarHBondContact NH1-OD1 2.89Å; R402-E857 IonicContact CZ-OE1 2.76Å; R402-E857 IonicContact CZ-OE2 3.5Å; R402-E857 IonicContact NH1-OE2 3.9Å; R402-E857 IonicContact NH2-OE1 2.82Å; R402-E857 PolarHBondContact NH2-OE1 3.04Å; R402-E857 IonicContact NH2-OE2 2.95Å; R402-E857 PolarHBondContact NH2-OE2 2.79Å
403	W	98.2	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.1	-175.7	-72.1	80.8	0	0	0	112.6	V348 Q365 V367 L388 L391 V392 T395 L401 F405 D493 G494	V348-W403 HydrophobicContact CG1-CH2 3.78Å; V348-W403 HydrophobicContact CG1-CZ3 4.12Å; Q365-W403 HydrophobicContact CB-CD2 4.19Å; Q365-W403 HydrophobicContact CB-CE3 4.04Å; Q365-W403 HydrophobicContact CB-CH2 4.19Å; Q365-W403 HydrophobicContact CB-CZ2 4.31Å; Q365-W403 HydrophobicContact CB-CZ3 4.04Å; Q365-W403 HydrophobicContact CG-CE3 3.94Å; Q365-W403 HydrophobicContact CG-CH2 3.6Å; Q365-W403 HydrophobicContact CG-CZ2 4.17Å; Q365-W403 HydrophobicContact CG-CZ3 3.45Å; Q365-W403 VanDerWaalsContact CG-CZ3 3.45Å; Q365-W403 WeakPolarHBondContact O-CA 3.44Å; V367-W403 HydrophobicContact CG2-CZ3 3.85Å; L388-W403 HydrophobicContact CD1-CH2 4.47Å; L388-W403 HydrophobicContact CD1-CZ3 4.26Å; L391-W403 HydrophobicContact CD2-CH2 3.92Å; L391-W403 HydrophobicContact CD2-CZ2 4.32Å; L391-W403 HydrophobicContact CG-CH2 4.22Å; L391-W403 HydrophobicContact CG-CZ2 4.13Å; V392-W403 HydrophobicContact CB-CD2 4.35Å; V392-W403 HydrophobicContact CB-CG 4.4Å; V392-W403 HydrophobicContact CG1-CB 4.23Å; V392-W403 HydrophobicContact CG1-CD2 4.23Å; V392-W403 HydrophobicContact CG1-CG 3.77Å; V392-W403 HydrophobicContact CG2-CD2 3.68Å; V392-W403 HydrophobicContact CG2-CE3 3.91Å; V392-W403 HydrophobicContact CG2-CG 4.08Å; V392-W403 HydrophobicContact CG2-CH2 4.34Å; V392-W403 HydrophobicContact CG2-CZ2 4.16Å; V392-W403 HydrophobicContact CG2-CZ3 4.23Å; T395-W403 WeakPolarHBondContact OG1-CZ2 3.32Å; T395-W403 PolarHBondContact OG1-NE1 3.34Å; L401-W403 HydrophobicContact CD2-CZ2 4.01Å; W403-F405 HydrophobicContact CB-CE2 3.81Å; W403-F405 HydrophobicContact CB-CZ 4.37Å; W403-F405 HydrophobicContact CD2-CZ 4.41Å; W403-F405 HydrophobicContact CE3-CE1 4.35Å; W403-F405 HydrophobicContact CE3-CE2 4.33Å; W403-F405 AromaticContact CE3-CZ 3.73Å; W403-F405 HydrophobicContact CE3-CZ 3.73Å; W403-F405 HydrophobicContact CZ3-CZ 4.42Å; W403-D493 PolarHBondContact N-OD2 2.61Å; W403-D493 PolarHBondContact O-N 2.86Å; W403-G494 PolarHBondContact O-N 3.03Å
404	V	98.6	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.4	174.9	177.8	0	0	0	0	108.6	W331 V364 Q365 Y366 G494 W496 F597	W331-V404 HydrophobicContact CH2-CG2 4.38Å; W331-V404 HydrophobicContact CZ3-CG2 4.48Å; V364-V404 HydrophobicContact CG1-CB 4.12Å; V364-V404 HydrophobicContact CG1-CG2 3.53Å; Q365-V404 PolarHBondContact O-N 2.93Å; Q365-V404 VanDerWaalsContact O-N 3.07Å; Y366-V404 VanDerWaalsContact CA-O 3.3Å; Y366-V404 WeakPolarHBondContact CA-O 3.45Å; Y366-V404 HydrophobicContact CD1-CB 3.8Å; Y366-V404 HydrophobicContact CD1-CG1 3.75Å; Y366-V404 HydrophobicContact CD2-CB 4.34Å; Y366-V404 HydrophobicContact CE1-CB 3.52Å; Y366-V404 HydrophobicContact CE1-CG1 3.24Å; Y366-V404 HydrophobicContact CE1-CG2 4.4Å; Y366-V404 HydrophobicContact CE2-CB 4.04Å; Y366-V404 HydrophobicContact CE2-CG2 4.4Å; Y366-V404 HydrophobicContact CG-CB 4.2Å; V404-G494 WeakPolarHBondContact CA-O 3.22Å; V404-W496 HydrophobicContact CG1-CB 4.06Å; V404-F597 HydrophobicContact CG1-CD1 4.26Å; V404-F597 HydrophobicContact CG1-CE1 4.32Å; V404-F597 HydrophobicContact CG2-CD1 3.75Å; V404-F597 HydrophobicContact CG2-CE1 4.28Å
405	F	98.3	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.1	178.7	-66.3	-85.1	0	0	0	110.2	V367 Y371 L388 V392 W403 L490 G494 L495 W496	V367-F405 HydrophobicContact CB-CD1 4.22Å; V367-F405 HydrophobicContact CB-CE1 3.99Å; V367-F405 HydrophobicContact CG2-CE1 3.89Å; Y371-F405 AromaticContact CD1-CD1 3.77Å; Y371-F405 HydrophobicContact CD1-CD1 3.77Å; Y371-F405 HydrophobicContact CD1-CE1 4.37Å; Y371-F405 HydrophobicContact CE1-CB 4.03Å; Y371-F405 AromaticContact CE1-CD1 3.6Å; Y371-F405 HydrophobicContact CE1-CD1 3.6Å; Y371-F405 HydrophobicContact CE1-CG 4.25Å; Y371-F405 HydrophobicContact CG-CD1 4.37Å; L388-F405 HydrophobicContact CD2-CE1 4.11Å; V392-F405 HydrophobicContact CG2-CE2 4.45Å; V392-F405 HydrophobicContact CG2-CZ 3.9Å; W403-F405 HydrophobicContact CB-CE2 3.81Å; W403-F405 HydrophobicContact CB-CZ 4.37Å; W403-F405 HydrophobicContact CD2-CZ 4.41Å; W403-F405 HydrophobicContact CE3-CE1 4.35Å; W403-F405 HydrophobicContact CE3-CE2 4.33Å; W403-F405 AromaticContact CE3-CZ 3.73Å; W403-F405 HydrophobicContact CE3-CZ 3.73Å; W403-F405 HydrophobicContact CZ3-CZ 4.42Å; F405-L490 HydrophobicContact CD1-CD1 4.07Å; F405-L490 HydrophobicContact CD2-CD1 4.28Å; F405-L490 HydrophobicContact CE1-CD1 3.93Å; F405-L490 HydrophobicContact CE2-CB 4.42Å; F405-L490 HydrophobicContact CE2-CD1 4.12Å; F405-L490 HydrophobicContact CG-CD1 4.23Å; F405-L490 HydrophobicContact CZ-CD1 3.95Å; F405-L490 HydrophobicContact CZ-CD2 4.4Å; F405-G494 PolarHBondContact N-O 2.84Å; F405-L495 HydrophobicContact CB-CD2 4.4Å; F405-L495 WeakPolarHBondContact O-CA 3.14Å; F405-W496 PolarHBondContact O-N 2.84Å
406	I	98	Very high	95.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.1	171.9	-177.2	162.1	0	0	0	110.4	D368 I369 Y371 M372 D408 W496 D498	D368-I406 VanDerWaalsContact C-CG2 3.42Å; I369-I406 HydrophobicContact CB-CG2 4.5Å; I369-I406 HydrophobicContact CG2-CD1 3.88Å; I369-I406 HydrophobicContact CG2-CG1 4.27Å; I369-I406 HydrophobicContact CG2-CG2 3.78Å; I369-I406 VanDerWaalsContact N-CG2 3.34Å; Y371-I406 HydrophobicContact CE1-CG2 4.23Å; Y371-I406 PolarHBondContact OH-O 2.97Å; Y371-I406 VanDerWaalsContact OH-O 3.06Å; M372-I406 HydrophobicContact CE-CG2 3.86Å; M372-I406 WeakPolarHBondContact CE-O 3.36Å; I406-D408 WeakPolarHBondContact CG1-OD1 3.49Å; I406-W496 CarbonylContact C-O 3.59Å; I406-W496 VanDerWaalsContact CA-O 3.25Å; I406-W496 WeakPolarHBondContact CA-O 3.28Å; I406-W496 HydrophobicContact CB-CD2 4.02Å; I406-W496 HydrophobicContact CB-CE3 3.59Å; I406-W496 HydrophobicContact CB-CZ3 4.01Å; I406-W496 HydrophobicContact CD1-CD2 4.05Å; I406-W496 HydrophobicContact CD1-CE3 3.93Å; I406-W496 HydrophobicContact CD1-CH2 3.66Å; I406-W496 HydrophobicContact CD1-CZ2 3.79Å; I406-W496 HydrophobicContact CD1-CZ3 3.72Å; I406-W496 HydrophobicContact CG1-CD2 4.12Å; I406-W496 HydrophobicContact CG1-CE3 4.07Å; I406-W496 HydrophobicContact CG1-CZ3 4.34Å; I406-D498 HydrophobicContact CD1-CB 3.5Å; I406-D498 HydrophobicContact CG1-CB 4.07Å
407	V	97.1	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.5	166.7	-73.6	0	0	0	0	108.2	D377 F378 W479 L495 W496 I497	D377-V407 WeakPolarHBondContact OD1-CA 3.42Å; F378-V407 HydrophobicContact CE1-CG1 4.32Å; V407-W479 HydrophobicContact CG2-CZ2 4.39Å; V407-L495 HydrophobicContact CG1-CD2 4.48Å; V407-L495 HydrophobicContact CG2-CB 4.24Å; V407-L495 HydrophobicContact CG2-CD1 4.04Å; V407-W496 PolarHBondContact N-O 2.96Å; V407-I497 HydrophobicContact CG2-CG2 3.92Å; V407-I497 WeakPolarHBondContact O-CA 3.36Å
408	D	97.8	Very high	94.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	16%	0.157	C	C	.	.			trans	-99.2	155.6	-179.2	-67.8	-6.1	0	0	0	110.6	D377 I406 A410 W460 D498	D377-D408 PolarHBondContact OD1-N 3.4Å; D377-D408 VanDerWaalsContact OD2-O 3.1Å; I406-D408 WeakPolarHBondContact CG1-OD1 3.49Å; D408-A410 HydrophobicContact CB-CB 4.33Å; D408-A410 PolarHBondContact O-N 3.06Å; D408-W460 VanDerWaalsContact OD2-CD1 3.3Å; D408-D498 WeakPolarHBondContact OD1-CB 3.44Å
409	P	96.8	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-81.8	37.4	174.6	34.7	-37.1	0	0	0	112.1	F467 P468 F470 D498 N500 Y576	P409-F467 HydrophobicContact CG-CD1 4.5Å; P409-F467 VanDerWaalsContact O-CD1 3.25Å; P409-F467 WeakPolarHBondContact O-CD1 3.43Å; P409-P468 WeakPolarHBondContact O-CD 3.27Å; P409-F470 HydrophobicContact CB-CE2 4.15Å; P409-F470 HydrophobicContact CB-CZ 4.48Å; P409-D498 WeakPolarHBondContact CD-O 3.3Å; P409-N500 HydrophobicContact CG-CB 4Å; P409-Y576 HydrophobicContact CB-CE1 3.82Å; P409-Y576 WeakPolarHBondContact CB-OH 3.46Å; P409-Y576 HydrophobicContact CG-CE1 3.93Å
410	A	96.5	Very high	94.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.			trans	-125.9	85.8	-169.7	0	0	0	0	0	112.6	D408 N412 V459 V465	D408-A410 HydrophobicContact CB-CB 4.33Å; D408-A410 PolarHBondContact O-N 3.06Å; A410-N412 PolarHBondContact O-N 3.04Å; A410-V459 HydrophobicContact CB-CB 4.31Å; A410-V459 HydrophobicContact CB-CG2 4.21Å; A410-V465 HydrophobicContact CB-CB 4.16Å; A410-V465 HydrophobicContact CB-CG1 4.16Å; A410-V465 HydrophobicContact CB-CG2 4.11Å
411	I	96.1	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	113.4	-175.7	-55.5	-51.3	0	0	0	111.9	F378 V413 Y418 P420 L421 F430 V465 A466 P468 W478 W479	F378-I411 HydrophobicContact CE2-CD1 4.4Å; I411-V413 PolarHBondContact O-N 2.99Å; I411-V413 VanDerWaalsContact O-N 3.13Å; I411-Y418 HydrophobicContact CG2-CD1 4.5Å; I411-Y418 HydrophobicContact CG2-CE1 3.78Å; I411-P420 HydrophobicContact CD1-CB 4.1Å; I411-P420 HydrophobicContact CD1-CG 4.4Å; I411-P420 HydrophobicContact CG1-CB 4.46Å; I411-P420 HydrophobicContact CG2-CB 3.64Å; I411-L421 HydrophobicContact CG2-CD2 3.86Å; I411-L421 HydrophobicContact CG2-CG 4.27Å; I411-F430 HydrophobicContact CB-CE1 4.04Å; I411-F430 HydrophobicContact CB-CZ 4.25Å; I411-F430 HydrophobicContact CG1-CE1 3.95Å; I411-F430 HydrophobicContact CG1-CZ 4.4Å; I411-F430 HydrophobicContact CG2-CZ 4.27Å; I411-V465 CarbonylContact O-C 3.5Å; I411-V465 WeakPolarHBondContact O-CA 3.38Å; I411-A466 PolarHBondContact N-O 2.87Å; I411-A466 PolarHBondContact O-N 2.87Å; I411-P468 HydrophobicContact CG1-CG 4.43Å; I411-W478 HydrophobicContact CD1-CH2 4.09Å; I411-W478 HydrophobicContact CG1-CH2 3.68Å; I411-W478 HydrophobicContact CG1-CZ2 4.17Å; I411-W479 HydrophobicContact CD1-CZ3 4.29Å
412	N	94.9	Very high	93.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	110.7	174.6	-172.1	-34.7	0	0	0	112.2	A376 A410 A414 R415 Y418 L421 P461 Y462	A376-N412 HydrophobicContact CB-CB 4.4Å; A410-N412 PolarHBondContact O-N 3.04Å; N412-A414 VanDerWaalsContact C-N 3.34Å; N412-A414 PolarHBondContact O-N 3.26Å; N412-A414 WeakPolarHBondContact OD1-CB 3.44Å; N412-A414 PolarHBondContact OD1-N 2.78Å; N412-R415 HydrophobicContact CB-CG 3.96Å; N412-Y418 HydrophobicContact CB-CE1 4.27Å; N412-Y418 WeakPolarHBondContact O-CD1 3.29Å; N412-Y418 WeakPolarHBondContact O-CE1 3.32Å; N412-L421 WeakPolarHBondContact O-CD1 3.36Å; N412-P461 HydrophobicContact CB-CB 3.78Å; N412-P461 HydrophobicContact CB-CG 4.48Å; N412-Y462 PolarHBondContact ND2-O 3.41Å
413	V	93.5	Very high	91.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.6	-175.5	-62.9	0	0	0	0	114.2	I411 Y446 L456 N464 A466	I411-V413 PolarHBondContact O-N 2.99Å; I411-V413 VanDerWaalsContact O-N 3.13Å; V413-Y446 HydrophobicContact CG2-CD2 3.86Å; V413-Y446 HydrophobicContact CG2-CE2 4.35Å; V413-Y446 HydrophobicContact CG2-CG 4.07Å; V413-L456 HydrophobicContact CB-CD2 4.38Å; V413-L456 HydrophobicContact CG1-CD2 3.87Å; V413-L456 HydrophobicContact CG2-CD1 4.26Å; V413-L456 HydrophobicContact CG2-CD2 3.75Å; V413-N464 HydrophobicContact CG2-CB 4.25Å; V413-N464 WeakPolarHBondContact CG2-O 3.46Å; V413-N464 PolarHBondContact N-O 3.39Å; V413-N464 VanDerWaalsContact N-O 3.1Å; V413-A466 HydrophobicContact CG1-CB 3.64Å
414	A	92.3	Very high	89.7	Confident	31 Å²	31	32.5 Å²	32.5	26%	0.256	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.6	-176.1	0	0	0	0	0	113.5	N412 Y446 N463	N412-A414 VanDerWaalsContact C-N 3.34Å; N412-A414 PolarHBondContact O-N 3.26Å; N412-A414 WeakPolarHBondContact OD1-CB 3.44Å; N412-A414 PolarHBondContact OD1-N 2.78Å; A414-Y446 HydrophobicContact CB-CD1 3.57Å; A414-Y446 HydrophobicContact CB-CE1 3.36Å; A414-N463 HydrophobicContact CB-CB 3.51Å
415	R	91.8	Very high	87.7	Confident	43 Å²	43	36.2 Å²	36.2	16%	0.162	21%	0.206	C	C	.	.			trans	-73.7	133.3	-173	-57	-167.4	75.7	82.8	25.9	112.3	N373 E374 N412 Y418	N373-R415 PolarHBondContact ND2-NH2 3.2Å; N373-R415 PolarHBondContact O-NH1 2.83Å; N373-R415 VanDerWaalsContact O-NH1 3.11Å; E374-R415 IonicContact OE2-CZ 3.52Å; E374-R415 IonicContact OE2-NH1 3.53Å; E374-R415 PolarHBondContact OE2-NH1 2.7Å; E374-R415 IonicContact OE2-NH2 3.53Å; E374-R415 PolarHBondContact OE2-NH2 2.72Å; N412-R415 HydrophobicContact CB-CG 3.96Å; R415-Y418 HydrophobicContact CB-CD1 3.8Å; R415-Y418 HydrophobicContact CB-CG 3.8Å; R415-Y418 HydrophobicContact CG-CD1 4.13Å; R415-Y418 HydrophobicContact CG-CG 4.32Å
416	E	85.6	Confident	85.7	Confident	175 Å²	175	41.3 Å²	41.3	82%	0.818	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	146.6	167.5	-61.8	-174.9	179.5	0	0	111.2	Y418	E416-Y418 VanDerWaalsContact C-N 3.29Å; E416-Y418 PolarHBondContact O-N 3.46Å
417	K	84.5	Confident	84	Confident	213 Å²	213	43.2 Å²	43.2	93%	0.926	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.9	178.5	-59.6	178.3	-179	172.5	0	113.4
418	Y	91.5	Very high	83.6	Confident	9 Å²	9	47.8 Å²	47.8	4%	0.035	28%	0.277	C	S	.	.			trans	-105.3	123.9	-176.5	-177.3	-143.6	0	0	0	110.2	A376 D377 T379 I411 N412 R415 E416 P420 L421 A422	A376-Y418 HydrophobicContact CB-CE2 4.39Å; D377-Y418 PolarHBondContact N-OH 3.1Å; D377-Y418 VanDerWaalsContact O-CE2 3.28Å; D377-Y418 WeakPolarHBondContact O-CE2 3.48Å; D377-Y418 PolarHBondContact O-OH 3.16Å; T379-Y418 HydrophobicContact CG2-CD2 4.1Å; T379-Y418 HydrophobicContact CG2-CE2 3.61Å; I411-Y418 HydrophobicContact CG2-CD1 4.5Å; I411-Y418 HydrophobicContact CG2-CE1 3.78Å; N412-Y418 HydrophobicContact CB-CE1 4.27Å; N412-Y418 WeakPolarHBondContact O-CD1 3.29Å; N412-Y418 WeakPolarHBondContact O-CE1 3.32Å; R415-Y418 HydrophobicContact CB-CD1 3.8Å; R415-Y418 HydrophobicContact CB-CG 3.8Å; R415-Y418 HydrophobicContact CG-CD1 4.13Å; R415-Y418 HydrophobicContact CG-CG 4.32Å; E416-Y418 VanDerWaalsContact C-N 3.29Å; E416-Y418 PolarHBondContact O-N 3.46Å; Y418-P420 HydrophobicContact CD1-CB 4.31Å; Y418-P420 HydrophobicContact CD1-CG 4.37Å; Y418-P420 VanDerWaalsContact CD2-CD 3.47Å; Y418-P420 HydrophobicContact CD2-CG 4.23Å; Y418-P420 HydrophobicContact CE1-CB 3.98Å; Y418-P420 HydrophobicContact CE1-CG 3.9Å; Y418-P420 VanDerWaalsContact CE2-CD 3.43Å; Y418-P420 HydrophobicContact CE2-CG 3.71Å; Y418-L421 HydrophobicContact CD1-CB 4.49Å; Y418-L421 HydrophobicContact CD1-CD1 3.89Å; Y418-L421 HydrophobicContact CD1-CG 3.8Å; Y418-L421 CarbonylContact O-C 3.59Å; Y418-L421 WeakPolarHBondContact O-CA 3.49Å; Y418-L421 PolarHBondContact O-N 3.05Å; Y418-A422 PolarHBondContact O-N 3.32Å
419	A	87.4	Confident	83.4	Confident	62 Å²	62	47.7 Å²	47.7	51%	0.512	28%	0.277	S	S	.	.	H	α-helix	trans	-55.2	-43.6	-171.3	0	0	0	0	0	113.9	L421 A422	A419-L421 PolarHBondContact O-N 3.32Å; A419-A422 WeakPolarHBondContact O-CB 3.44Å; A419-A422 PolarHBondContact O-N 2.68Å
420	P	91.7	Very high	83.4	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-35	172	-30.3	40	0	0	0	113.9	F378 I411 Y418 S424 W478 L482	F378-P420 HydrophobicContact CB-CG 4.45Å; F378-P420 HydrophobicContact CD2-CG 3.76Å; F378-P420 HydrophobicContact CG-CG 4.49Å; I411-P420 HydrophobicContact CD1-CB 4.1Å; I411-P420 HydrophobicContact CD1-CG 4.4Å; I411-P420 HydrophobicContact CG1-CB 4.46Å; I411-P420 HydrophobicContact CG2-CB 3.64Å; Y418-P420 HydrophobicContact CD1-CB 4.31Å; Y418-P420 HydrophobicContact CD1-CG 4.37Å; Y418-P420 VanDerWaalsContact CD2-CD 3.47Å; Y418-P420 HydrophobicContact CD2-CG 4.23Å; Y418-P420 HydrophobicContact CE1-CB 3.98Å; Y418-P420 HydrophobicContact CE1-CG 3.9Å; Y418-P420 VanDerWaalsContact CE2-CD 3.43Å; Y418-P420 HydrophobicContact CE2-CG 3.71Å; P420-S424 VanDerWaalsContact O-CB 3.26Å; P420-S424 WeakPolarHBondContact O-CB 3.35Å; P420-W478 HydrophobicContact CB-CZ2 4.03Å; P420-W478 PolarHBondContact O-NE1 3.09Å; P420-W478 VanDerWaalsContact O-NE1 3.07Å; P420-L482 HydrophobicContact CB-CD1 3.94Å; P420-L482 HydrophobicContact CB-CD2 4.41Å; P420-L482 HydrophobicContact CG-CD1 3.99Å; P420-L482 HydrophobicContact CG-CD2 4.14Å
421	L	89	Confident	83.5	Confident	5 Å²	5	48 Å²	48	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-93.7	-12.8	-179.3	-59.9	-179.8	0	0	0	115.2	I411 N412 Y418 A419 S423 S424 F430 H448	I411-L421 HydrophobicContact CG2-CD2 3.86Å; I411-L421 HydrophobicContact CG2-CG 4.27Å; N412-L421 WeakPolarHBondContact O-CD1 3.36Å; Y418-L421 HydrophobicContact CD1-CB 4.49Å; Y418-L421 HydrophobicContact CD1-CD1 3.89Å; Y418-L421 HydrophobicContact CD1-CG 3.8Å; Y418-L421 CarbonylContact O-C 3.59Å; Y418-L421 WeakPolarHBondContact O-CA 3.49Å; Y418-L421 PolarHBondContact O-N 3.05Å; A419-L421 PolarHBondContact O-N 3.32Å; L421-S423 PolarHBondContact O-N 2.71Å; L421-S423 VanDerWaalsContact O-N 3.1Å; L421-S424 WeakPolarHBondContact CA-OG 3.36Å; L421-S424 VanDerWaalsContact CD2-OG 3.26Å; L421-S424 WeakPolarHBondContact CD2-OG 3.42Å; L421-F430 HydrophobicContact CD2-CZ 4.35Å; L421-H448 HydrophobicContact CD1-CB 4.07Å; L421-H448 WeakPolarHBondContact CD1-CD2 3.29Å; L421-H448 HydrophobicContact CD2-CB 4.4Å
422	A	78.2	Confident	83.5	Confident	86 Å²	86	49 Å²	49	71%	0.711	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-21.5	-179.7	0	0	0	0	0	112.9	Y418 A419	Y418-A422 PolarHBondContact O-N 3.32Å; A419-A422 WeakPolarHBondContact O-CB 3.44Å; A419-A422 PolarHBondContact O-N 2.68Å
423	S	65	Low	83.7	Confident	49 Å²	49	49.3 Å²	49.3	34%	0.343	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-5.8	177.4	60.6	0	0	0	0	114.9	L421 S426 T427	L421-S423 PolarHBondContact O-N 2.71Å; L421-S423 VanDerWaalsContact O-N 3.1Å; S423-S426 PolarHBondContact O-OG 3.37Å; S423-T427 VanDerWaalsContact O-CG2 3.29Å; S423-T427 WeakPolarHBondContact O-CG2 3.47Å; S423-T427 PolarHBondContact O-OG1 2.84Å
424	S	59.5	Low	83.8	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.021	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-73.3	-38.5	-170.3	65.9	0	0	0	0	114	P420 L421 S426 T427	P420-S424 VanDerWaalsContact O-CB 3.26Å; P420-S424 WeakPolarHBondContact O-CB 3.35Å; L421-S424 WeakPolarHBondContact CA-OG 3.36Å; L421-S424 VanDerWaalsContact CD2-OG 3.26Å; L421-S424 WeakPolarHBondContact CD2-OG 3.42Å; S424-S426 PolarHBondContact O-N 2.75Å; S424-S426 VanDerWaalsContact O-N 3.09Å; S424-T427 VanDerWaalsContact CA-OG1 3.28Å; S424-T427 WeakPolarHBondContact CA-OG1 3.3Å; S424-T427 PolarHBondContact O-N 3.49Å; S424-T427 PolarHBondContact O-OG1 2.83Å; S424-T427 VanDerWaalsContact O-OG1 3.07Å
425	V	55.4	Low	84	Confident	77 Å²	77	52.2 Å²	52.2	47%	0.467	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-64.3	-21.8	-174.5	-170.6	0	0	0	0	111.7	H448	V425-H448 HydrophobicContact CG2-CB 3.77Å; V425-H448 WeakPolarHBondContact CG2-ND1 3.12Å
426	S	56.4	Low	84.2	Confident	107 Å²	107	55.1 Å²	55.1	75%	0.748	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-96.5	-1.5	175.4	61.1	0	0	0	0	115.1	S423 S424	S423-S426 PolarHBondContact O-OG 3.37Å; S424-S426 PolarHBondContact O-N 2.75Å; S424-S426 VanDerWaalsContact O-N 3.09Å
427	T	64.1	Low	84.7	Confident	41 Å²	41	55.8 Å²	55.8	25%	0.252	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.4	-166.4	45.1	0	0	0	0	116.6	S423 S424 N474	S423-T427 VanDerWaalsContact O-CG2 3.29Å; S423-T427 WeakPolarHBondContact O-CG2 3.47Å; S423-T427 PolarHBondContact O-OG1 2.84Å; S424-T427 VanDerWaalsContact CA-OG1 3.28Å; S424-T427 WeakPolarHBondContact CA-OG1 3.3Å; S424-T427 PolarHBondContact O-N 3.49Å; S424-T427 PolarHBondContact O-OG1 2.83Å; S424-T427 VanDerWaalsContact O-OG1 3.07Å; T427-N474 PolarHBondContact O-ND2 3.24Å
428	D	87.8	Confident	85.3	Confident	96 Å²	96	49.3 Å²	49.3	51%	0.513	29%	0.289	S	S	.	.			trans	50.4	68.3	179.5	-176.6	26	0	0	0	112.6	K472	D428-K472 WeakPolarHBondContact O-CD 3.45Å; D428-K472 IonicContact OD1-NZ 3.16Å; D428-K472 PolarHBondContact OD1-NZ 2.94Å; D428-K472 IonicContact OD2-NZ 2.79Å
429	V	94.3	Very high	85.5	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	30%	0.296	C	S	.	.			trans	-115.8	-7.5	-172.3	-61.3	0	0	0	0	114.7	P468 D469 N474 A475 W478	V429-P468 CarbonylContact O-C 3.58Å; V429-P468 WeakPolarHBondContact O-CA 3.31Å; V429-D469 PolarHBondContact O-N 3.25Å; V429-N474 HydrophobicContact CG1-CB 4.16Å; V429-A475 HydrophobicContact CB-CB 3.91Å; V429-A475 HydrophobicContact CG1-CB 4.32Å; V429-A475 WeakPolarHBondContact O-CB 3.35Å; V429-W478 HydrophobicContact CB-CD2 4.44Å; V429-W478 HydrophobicContact CB-CE3 4.25Å; V429-W478 HydrophobicContact CG1-CB 4.11Å; V429-W478 HydrophobicContact CG1-CD2 4.42Å; V429-W478 HydrophobicContact CG1-CG 4.26Å; V429-W478 HydrophobicContact CG2-CD2 4.16Å; V429-W478 HydrophobicContact CG2-CE3 4.21Å; V429-W478 HydrophobicContact CG2-CZ3 4.49Å
430	F	96.1	Very high	85.9	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.026	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-105.6	160.7	-172.7	-61.1	-63	0	0	0	112.6	I411 L421 I454 A466 F467 P468 K472 W478	I411-F430 HydrophobicContact CB-CE1 4.04Å; I411-F430 HydrophobicContact CB-CZ 4.25Å; I411-F430 HydrophobicContact CG1-CE1 3.95Å; I411-F430 HydrophobicContact CG1-CZ 4.4Å; I411-F430 HydrophobicContact CG2-CZ 4.27Å; L421-F430 HydrophobicContact CD2-CZ 4.35Å; F430-I454 HydrophobicContact CB-CG1 4.3Å; F430-I454 HydrophobicContact CB-CG2 3.98Å; F430-I454 HydrophobicContact CD2-CD1 3.8Å; F430-I454 HydrophobicContact CD2-CG1 4.36Å; F430-I454 HydrophobicContact CD2-CG2 4.49Å; F430-I454 HydrophobicContact CG-CG2 4.42Å; F430-A466 HydrophobicContact CB-CB 4.33Å; F430-A466 HydrophobicContact CD1-CB 3.64Å; F430-A466 HydrophobicContact CD2-CB 4.16Å; F430-A466 HydrophobicContact CE1-CB 3.89Å; F430-A466 HydrophobicContact CE2-CB 4.36Å; F430-A466 HydrophobicContact CG-CB 3.79Å; F430-A466 HydrophobicContact CZ-CB 4.24Å; F430-F467 WeakPolarHBondContact CA-O 3.43Å; F430-P468 HydrophobicContact CE1-CG 4.49Å; F430-K472 PolarHBondContact O-NZ 2.93Å; F430-W478 HydrophobicContact CE1-CH2 4.03Å; F430-W478 HydrophobicContact CE1-CZ2 4.39Å; F430-W478 HydrophobicContact CZ-CH2 4.36Å; F430-W478 HydrophobicContact CZ-CZ2 4.26Å
431	I	98.1	Very high	86.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.321	C	S	.	.			trans	-65.2	140.6	168.4	-59.7	-176.2	0	0	0	109.6	M455 F467 D469 L555 A559 Q561 Y576	I431-M455 PolarHBondContact O-N 2.87Å; I431-F467 HydrophobicContact CD1-CB 4.04Å; I431-F467 HydrophobicContact CG1-CB 4.4Å; I431-F467 PolarHBondContact N-O 3.19Å; I431-D469 HydrophobicContact CG1-CB 3.89Å; I431-L555 HydrophobicContact CB-CD1 4.46Å; I431-L555 HydrophobicContact CD1-CD1 3.58Å; I431-L555 HydrophobicContact CG2-CD1 4.26Å; I431-A559 HydrophobicContact CG2-CB 3.72Å; I431-Q561 HydrophobicContact CD1-CG 4.03Å; I431-Q561 HydrophobicContact CG1-CG 3.88Å; I431-Q561 HydrophobicContact CG2-CG 4.1Å; I431-Y576 HydrophobicContact CD1-CD2 4.34Å; I431-Y576 HydrophobicContact CD1-CE2 3.8Å
432	T	97.3	Very high	86.4	Confident	21 Å²	21	56.5 Å²	56.5	13%	0.129	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-127.5	155.2	-172.7	57.7	0	0	0	0	113.7	T453 K560	T432-T453 CarbonylContact C-O 3.41Å; T432-T453 VanDerWaalsContact CA-O 3.23Å; T432-T453 WeakPolarHBondContact CA-O 3.35Å; T432-T453 VanDerWaalsContact CB-O 3.31Å; T432-T453 WeakPolarHBondContact CB-O 3.21Å; T432-K560 PolarHBondContact N-O 2.73Å; T432-K560 PolarHBondContact O-N 3.31Å
433	W	97.9	Very high	87.1	Confident	6 Å²	6	52.5 Å²	52.5	2%	0.023	30%	0.295	C	S	.	.			trans	-63.5	145.6	161.4	-66.4	97.7	0	0	0	110.3	D435 F438 V439 P440 T453 M455 L526 C556 F558	W433-D435 PolarHBondContact O-N 2.97Å; W433-F438 HydrophobicContact CB-CB 4.46Å; W433-F438 HydrophobicContact CD2-CB 4.11Å; W433-F438 HydrophobicContact CE3-CB 3.57Å; W433-F438 HydrophobicContact CG-CB 4.5Å; W433-F438 HydrophobicContact CZ3-CB 4.19Å; W433-V439 HydrophobicContact CB-CG2 4.06Å; W433-V439 HydrophobicContact CG-CG2 4.1Å; W433-P440 HydrophobicContact CZ2-CG 4.02Å; W433-T453 PolarHBondContact N-O 3.41Å; W433-M455 HydrophobicContact CD2-CE 3.51Å; W433-M455 HydrophobicContact CE3-CE 3.48Å; W433-M455 VanDerWaalsContact CE3-CE 3.48Å; W433-M455 HydrophobicContact CG-CE 4.11Å; W433-M455 HydrophobicContact CH2-CE 3.98Å; W433-M455 HydrophobicContact CZ2-CE 3.99Å; W433-M455 HydrophobicContact CZ2-CG 4.08Å; W433-M455 HydrophobicContact CZ3-CE 3.74Å; W433-L526 HydrophobicContact CH2-CD1 3.82Å; W433-L526 HydrophobicContact CZ2-CD1 3.62Å; W433-C556 HydrophobicContact CZ3-CB 4.5Å; W433-F558 AromaticContact CE3-CE1 3.83Å; W433-F558 HydrophobicContact CE3-CE1 3.83Å; W433-F558 AromaticContact CE3-CZ 3.83Å; W433-F558 HydrophobicContact CE3-CZ 3.83Å; W433-F558 AromaticContact CZ3-CE1 3.49Å; W433-F558 HydrophobicContact CZ3-CE1 3.49Å; W433-F558 VanDerWaalsContact CZ3-CE1 3.49Å; W433-F558 AromaticContact CZ3-CZ 3.59Å; W433-F558 HydrophobicContact CZ3-CZ 3.59Å
434	P	96.6	Very high	88.6	Confident	49 Å²	49	55.4 Å²	55.4	32%	0.318	31%	0.307	S	S	.	.	S	Bend	trans	-67.4	-21.7	-179.2	24.8	-33.4	0	0	0	114.2	F438 F558 K560	P434-F438 HydrophobicContact CG-CD2 3.89Å; P434-F438 HydrophobicContact CG-CE2 4.17Å; P434-F558 HydrophobicContact CG-CD2 4.15Å; P434-F558 HydrophobicContact CG-CE2 4.24Å; P434-F558 HydrophobicContact CG-CG 4.5Å; P434-K560 HydrophobicContact CB-CG 3.86Å
435	D	95.5	Very high	90.3	Very high	47 Å²	47	61.1 Å²	61.1	25%	0.251	33%	0.332	S	S	.	.	S	Bend	trans	-156	146.4	-176.7	-173.5	-69.4	0	0	0	109.8	W433 R437 F438	W433-D435 PolarHBondContact O-N 2.97Å; D435-R437 VanDerWaalsContact CG-NE 3.29Å; D435-R437 PolarHBondContact O-N 2.82Å; D435-R437 VanDerWaalsContact O-N 3.09Å; D435-R437 VanDerWaalsContact OD1-CB 3.29Å; D435-R437 WeakPolarHBondContact OD1-CB 3.43Å; D435-R437 WeakPolarHBondContact OD1-CG 3.21Å; D435-R437 IonicContact OD1-CZ 2.99Å; D435-R437 PolarHBondContact OD1-N 2.9Å; D435-R437 IonicContact OD1-NE 3.82Å; D435-R437 PolarHBondContact OD1-NE 3.12Å; D435-R437 IonicContact OD1-NH2 3.92Å; D435-R437 IonicContact OD2-CZ 2.64Å; D435-R437 IonicContact OD2-NE 2.66Å; D435-R437 PolarHBondContact OD2-NE 3.33Å; D435-R437 IonicContact OD2-NH2 3.84Å; D435-R437 PolarHBondContact OD2-NH2 3.15Å; D435-F438 HydrophobicContact CB-CD2 3.87Å; D435-F438 HydrophobicContact CB-CE2 4.05Å; D435-F438 PolarHBondContact O-N 2.85Å
436	V	95.8	Very high	92	Very high	103 Å²	103	58.1 Å²	58.1	62%	0.624	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-54.8	-28.4	179.3	70.5	0	0	0	0	113.2	F438 V439	V436-F438 PolarHBondContact O-N 2.97Å; V436-V439 WeakPolarHBondContact O-CB 3.4Å; V436-V439 PolarHBondContact O-N 3.06Å; V436-V439 VanDerWaalsContact O-N 3.14Å
437	R	96.5	Very high	93.6	Very high	190 Å²	190	61.7 Å²	61.7	72%	0.717	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.9	179.1	-67.2	172.3	-68.6	157.3	-0.6	114	D435	D435-R437 VanDerWaalsContact CG-NE 3.29Å; D435-R437 PolarHBondContact O-N 2.82Å; D435-R437 VanDerWaalsContact O-N 3.09Å; D435-R437 VanDerWaalsContact OD1-CB 3.29Å; D435-R437 WeakPolarHBondContact OD1-CB 3.43Å; D435-R437 WeakPolarHBondContact OD1-CG 3.21Å; D435-R437 IonicContact OD1-CZ 2.99Å; D435-R437 PolarHBondContact OD1-N 2.9Å; D435-R437 IonicContact OD1-NE 3.82Å; D435-R437 PolarHBondContact OD1-NE 3.12Å; D435-R437 IonicContact OD1-NH2 3.92Å; D435-R437 IonicContact OD2-CZ 2.64Å; D435-R437 IonicContact OD2-NE 2.66Å; D435-R437 PolarHBondContact OD2-NE 3.33Å; D435-R437 IonicContact OD2-NH2 3.84Å; D435-R437 PolarHBondContact OD2-NH2 3.15Å
438	F	96.5	Very high	94.9	Very high	77 Å²	77	61.3 Å²	61.3	34%	0.338	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-95.4	-9.8	177.7	-59.3	-65.3	0	0	0	113.1	W433 P434 D435 V436 P440 P529 F558	W433-F438 HydrophobicContact CB-CB 4.46Å; W433-F438 HydrophobicContact CD2-CB 4.11Å; W433-F438 HydrophobicContact CE3-CB 3.57Å; W433-F438 HydrophobicContact CG-CB 4.5Å; W433-F438 HydrophobicContact CZ3-CB 4.19Å; P434-F438 HydrophobicContact CG-CD2 3.89Å; P434-F438 HydrophobicContact CG-CE2 4.17Å; D435-F438 HydrophobicContact CB-CD2 3.87Å; D435-F438 HydrophobicContact CB-CE2 4.05Å; D435-F438 PolarHBondContact O-N 2.85Å; V436-F438 PolarHBondContact O-N 2.97Å; F438-P440 VanDerWaalsContact O-CD 3.27Å; F438-P440 WeakPolarHBondContact O-CD 3.44Å; F438-P529 HydrophobicContact CD1-CG 3.94Å; F438-P529 HydrophobicContact CE1-CG 4.44Å; F438-F558 HydrophobicContact CD1-CE2 4.31Å; F438-F558 HydrophobicContact CD1-CZ 4.43Å; F438-F558 HydrophobicContact CD2-CE2 4.36Å; F438-F558 HydrophobicContact CE1-CE2 4.32Å; F438-F558 HydrophobicContact CE2-CE2 4.37Å; F438-F558 HydrophobicContact CG-CE2 4.32Å; F438-F558 HydrophobicContact CG-CZ 4.35Å; F438-F558 HydrophobicContact CZ-CE2 4.35Å
439	V	96.7	Very high	95.1	Very high	32 Å²	32	56.7 Å²	56.7	19%	0.194	29%	0.285	C	S	.	.			trans	-68.7	120	-179.2	-178.8	0	0	0	0	109	W433 V436 N443 T453	W433-V439 HydrophobicContact CB-CG2 4.06Å; W433-V439 HydrophobicContact CG-CG2 4.1Å; V436-V439 WeakPolarHBondContact O-CB 3.4Å; V436-V439 PolarHBondContact O-N 3.06Å; V436-V439 VanDerWaalsContact O-N 3.14Å; V439-N443 HydrophobicContact CG1-CB 3.74Å; V439-N443 VanDerWaalsContact CG1-CG 3.46Å; V439-T453 HydrophobicContact CG2-CG2 4.22Å
440	P	96	Very high	95.1	Very high	46 Å²	46	59 Å²	59	30%	0.299	30%	0.304	S	S	.	.			trans	-66.9	152.1	176.6	-19.9	33.3	0	0	0	111.3	W433 F438 L442 N443	W433-P440 HydrophobicContact CZ2-CG 4.02Å; F438-P440 VanDerWaalsContact O-CD 3.27Å; F438-P440 WeakPolarHBondContact O-CD 3.44Å; P440-L442 HydrophobicContact CB-CB 4.15Å; P440-L442 PolarHBondContact O-N 2.85Å; P440-N443 PolarHBondContact O-N 2.72Å; P440-N443 VanDerWaalsContact O-N 3.11Å
441	P	95.1	Very high	94.9	Very high	114 Å²	114	62.2 Å²	62.2	74%	0.74	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-56.2	-17.2	172.3	-24.7	34	0	0	0	114.1	N443 D444	P441-N443 PolarHBondContact O-N 2.64Å; P441-D444 PolarHBondContact O-N 2.92Å; P441-D444 VanDerWaalsContact O-N 3.16Å
442	L	94.7	Very high	94.7	Very high	35 Å²	35	63.8 Å²	63.8	18%	0.183	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35	174.4	-177.9	64.3	0	0	0	112.9	P440 D444 K445 Y446 L456 P524	P440-L442 HydrophobicContact CB-CB 4.15Å; P440-L442 PolarHBondContact O-N 2.85Å; L442-D444 VanDerWaalsContact C-N 3.27Å; L442-D444 PolarHBondContact O-N 2.99Å; L442-K445 HydrophobicContact CD1-CD 4.05Å; L442-K445 WeakPolarHBondContact O-CB 3.08Å; L442-K445 PolarHBondContact O-N 2.77Å; L442-K445 VanDerWaalsContact O-N 3.08Å; L442-Y446 HydrophobicContact CD1-CE2 4.11Å; L442-Y446 HydrophobicContact CG-CE2 4.39Å; L442-L456 HydrophobicContact CG-CD1 4.35Å; L442-P524 HydrophobicContact CD1-CG 4.14Å; L442-P524 HydrophobicContact CD2-CG 4.02Å
443	N	94.7	Very high	94.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-58.9	-39.9	178.7	-80.2	46.1	0	0	0	111.8	V439 P440 P441 K445 Y446 S449 A450 T452 I454 L456	V439-N443 HydrophobicContact CG1-CB 3.74Å; V439-N443 VanDerWaalsContact CG1-CG 3.46Å; P440-N443 PolarHBondContact O-N 2.72Å; P440-N443 VanDerWaalsContact O-N 3.11Å; P441-N443 PolarHBondContact O-N 2.64Å; N443-K445 PolarHBondContact O-N 3.34Å; N443-Y446 PolarHBondContact O-N 2.66Å; N443-S449 CarbonylContact O-C 3.37Å; N443-S449 PolarHBondContact O-OG 2.81Å; N443-S449 VanDerWaalsContact O-OG 3.09Å; N443-A450 WeakPolarHBondContact O-CA 3.09Å; N443-A450 PolarHBondContact O-N 2.96Å; N443-A450 VanDerWaalsContact O-N 3.16Å; N443-T452 PolarHBondContact ND2-O 3.26Å; N443-I454 PolarHBondContact ND2-O 2.94Å; N443-L456 WeakPolarHBondContact OD1-CD1 3.21Å
444	D	95.5	Very high	94.5	Very high	110 Å²	110	66 Å²	66	59%	0.588	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-72.2	-7.9	-179.7	-65	-32.4	0	0	0	113.6	P441 L442 Y446 A450 G451	P441-D444 PolarHBondContact O-N 2.92Å; P441-D444 VanDerWaalsContact O-N 3.16Å; L442-D444 VanDerWaalsContact C-N 3.27Å; L442-D444 PolarHBondContact O-N 2.99Å; D444-Y446 VanDerWaalsContact C-N 3.31Å; D444-A450 WeakPolarHBondContact OD1-CA 3.33Å; D444-G451 PolarHBondContact OD1-N 3.13Å
445	K	94.6	Very high	94.6	Very high	123 Å²	123	63.7 Å²	63.7	54%	0.535	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-69.7	-28.7	172.4	-172.9	-176.7	171.9	-168.7	0	112.1	L442 N443	L442-K445 HydrophobicContact CD1-CD 4.05Å; L442-K445 WeakPolarHBondContact O-CB 3.08Å; L442-K445 PolarHBondContact O-N 2.77Å; L442-K445 VanDerWaalsContact O-N 3.08Å; N443-K445 PolarHBondContact O-N 3.34Å
446	Y	92.1	Very high	94.6	Very high	14 Å²	14	61.8 Å²	61.8	6%	0.055	34%	0.337	C	S	.	.	S	Bend	trans	-114.4	130.9	-172.3	-56.1	-67.5	0	0	0	111	V413 A414 L442 N443 D444 H448 S449 A450 L456 N463 N464	V413-Y446 HydrophobicContact CG2-CD2 3.86Å; V413-Y446 HydrophobicContact CG2-CE2 4.35Å; V413-Y446 HydrophobicContact CG2-CG 4.07Å; A414-Y446 HydrophobicContact CB-CD1 3.57Å; A414-Y446 HydrophobicContact CB-CE1 3.36Å; L442-Y446 HydrophobicContact CD1-CE2 4.11Å; L442-Y446 HydrophobicContact CG-CE2 4.39Å; N443-Y446 PolarHBondContact O-N 2.66Å; D444-Y446 VanDerWaalsContact C-N 3.31Å; Y446-H448 PolarHBondContact O-N 2.98Å; Y446-H448 VanDerWaalsContact O-N 3.12Å; Y446-S449 PolarHBondContact O-N 2.93Å; Y446-S449 VanDerWaalsContact O-N 3.12Å; Y446-A450 WeakPolarHBondContact O-CB 3.42Å; Y446-A450 PolarHBondContact O-N 2.88Å; Y446-L456 HydrophobicContact CD2-CD1 4.03Å; Y446-L456 HydrophobicContact CE2-CD1 4.37Å; Y446-N463 PolarHBondContact OH-OD1 3.27Å; Y446-N464 HydrophobicContact CE2-CB 3.88Å; Y446-N464 PolarHBondContact OH-OD1 3.03Å; Y446-N464 VanDerWaalsContact OH-OD1 3.13Å
447	F	90.7	Very high	94.7	Very high	183 Å²	183	56.9 Å²	56.9	80%	0.803	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.1	-178.6	176.5	-101.3	0	0	0	113.3
448	H	90.3	Very high	94.8	Very high	32 Å²	32	47.9 Å²	47.9	15%	0.148	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.1	-175.7	-68.5	-72	0	0	0	114.8	L421 V425 Y446	L421-H448 HydrophobicContact CD1-CB 4.07Å; L421-H448 WeakPolarHBondContact CD1-CD2 3.29Å; L421-H448 HydrophobicContact CD2-CB 4.4Å; V425-H448 HydrophobicContact CG2-CB 3.77Å; V425-H448 WeakPolarHBondContact CG2-ND1 3.12Å; Y446-H448 PolarHBondContact O-N 2.98Å; Y446-H448 VanDerWaalsContact O-N 3.12Å
449	S	92.2	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-5	178.4	57.3	0	0	0	0	114.1	N443 Y446 G451 T452	N443-S449 CarbonylContact O-C 3.37Å; N443-S449 PolarHBondContact O-OG 2.81Å; N443-S449 VanDerWaalsContact O-OG 3.09Å; Y446-S449 PolarHBondContact O-N 2.93Å; Y446-S449 VanDerWaalsContact O-N 3.12Å; S449-G451 PolarHBondContact O-N 2.82Å; S449-T452 WeakPolarHBondContact CA-OG1 3.19Å; S449-T452 WeakPolarHBondContact O-CB 3.24Å; S449-T452 PolarHBondContact O-N 2.9Å; S449-T452 PolarHBondContact O-OG1 3.32Å
450	A	93.3	Very high	94.7	Very high	48 Å²	48	46 Å²	46	40%	0.397	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	129.5	176	0	0	0	0	0	112.1	N443 D444 Y446 T452	N443-A450 WeakPolarHBondContact O-CA 3.09Å; N443-A450 PolarHBondContact O-N 2.96Å; N443-A450 VanDerWaalsContact O-N 3.16Å; D444-A450 WeakPolarHBondContact OD1-CA 3.33Å; Y446-A450 WeakPolarHBondContact O-CB 3.42Å; Y446-A450 PolarHBondContact O-N 2.88Å; A450-T452 PolarHBondContact O-N 3.04Å
451	G	92.8	Very high	94.7	Very high	74 Å²	74	43.8 Å²	43.8	76%	0.763	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	5.7	-176.2	0	0	0	0	0	116	D444 S449	D444-G451 PolarHBondContact OD1-N 3.13Å; S449-G451 PolarHBondContact O-N 2.82Å
452	T	94	Very high	94.6	Very high	34 Å²	34	41.7 Å²	41.7	21%	0.209	22%	0.224	C	C	.	.			trans	-95.7	161.9	178	75.7	0	0	0	0	111.8	N443 S449 A450 I454	N443-T452 PolarHBondContact ND2-O 3.26Å; S449-T452 WeakPolarHBondContact CA-OG1 3.19Å; S449-T452 WeakPolarHBondContact O-CB 3.24Å; S449-T452 PolarHBondContact O-N 2.9Å; S449-T452 PolarHBondContact O-OG1 3.32Å; A450-T452 PolarHBondContact O-N 3.04Å; T452-I454 VanDerWaalsContact C-N 3.32Å; T452-I454 HydrophobicContact CG2-CD1 4.21Å; T452-I454 WeakPolarHBondContact OG1-CG1 3.3Å; T452-I454 PolarHBondContact OG1-N 3.08Å
453	T	95.7	Very high	94.6	Very high	56 Å²	56	42.8 Å²	42.8	34%	0.344	23%	0.23	S	C	.	.			trans	-90.3	11.9	171	54.2	0	0	0	0	113.4	T432 W433 V439 M455	T432-T453 CarbonylContact C-O 3.41Å; T432-T453 VanDerWaalsContact CA-O 3.23Å; T432-T453 WeakPolarHBondContact CA-O 3.35Å; T432-T453 VanDerWaalsContact CB-O 3.31Å; T432-T453 WeakPolarHBondContact CB-O 3.21Å; W433-T453 PolarHBondContact N-O 3.41Å; V439-T453 HydrophobicContact CG2-CG2 4.22Å; T453-M455 PolarHBondContact O-N 3.04Å
454	I	95.8	Very high	94.6	Very high	18 Å²	18	42.8 Å²	42.8	9%	0.092	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-58.9	132.4	-178.4	-62.7	168.2	0	0	0	109.8	F430 N443 T452 L456 A466	F430-I454 HydrophobicContact CB-CG1 4.3Å; F430-I454 HydrophobicContact CB-CG2 3.98Å; F430-I454 HydrophobicContact CD2-CD1 3.8Å; F430-I454 HydrophobicContact CD2-CG1 4.36Å; F430-I454 HydrophobicContact CD2-CG2 4.49Å; F430-I454 HydrophobicContact CG-CG2 4.42Å; N443-I454 PolarHBondContact ND2-O 2.94Å; T452-I454 VanDerWaalsContact C-N 3.32Å; T452-I454 HydrophobicContact CG2-CD1 4.21Å; T452-I454 WeakPolarHBondContact OG1-CG1 3.3Å; T452-I454 PolarHBondContact OG1-N 3.08Å; I454-L456 HydrophobicContact CG2-CD2 3.98Å; I454-A466 HydrophobicContact CG2-CB 3.66Å
455	M	97.5	Very high	94.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-81.4	118.7	172.3	-174.4	171.1	-68.5	0	0	109.2	I431 W433 T453 L526 L555 C556 A559	I431-M455 PolarHBondContact O-N 2.87Å; W433-M455 HydrophobicContact CD2-CE 3.51Å; W433-M455 HydrophobicContact CE3-CE 3.48Å; W433-M455 VanDerWaalsContact CE3-CE 3.48Å; W433-M455 HydrophobicContact CG-CE 4.11Å; W433-M455 HydrophobicContact CH2-CE 3.98Å; W433-M455 HydrophobicContact CZ2-CE 3.99Å; W433-M455 HydrophobicContact CZ2-CG 4.08Å; W433-M455 HydrophobicContact CZ3-CE 3.74Å; T453-M455 PolarHBondContact O-N 3.04Å; M455-L526 HydrophobicContact CG-CD1 4.36Å; M455-L526 HydrophobicContact CG-CD2 4.49Å; M455-L526 HydrophobicContact SD-CD2 4.3Å; M455-L555 HydrophobicContact SD-CB 4.07Å; M455-L555 HydrophobicContact SD-CD2 4.38Å; M455-C556 HydrophobicContact CE-CB 3.84Å; M455-C556 HydrophobicContact SD-CB 4.04Å; M455-A559 HydrophobicContact CE-CB 3.41Å; M455-A559 VanDerWaalsContact CE-CB 3.41Å; M455-A559 HydrophobicContact SD-CB 3.76Å
456	L	97.3	Very high	94.7	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.6	178.1	-61	-176.3	0	0	0	110.8	V413 L442 N443 Y446 I454 N464 V465 A466	V413-L456 HydrophobicContact CB-CD2 4.38Å; V413-L456 HydrophobicContact CG1-CD2 3.87Å; V413-L456 HydrophobicContact CG2-CD1 4.26Å; V413-L456 HydrophobicContact CG2-CD2 3.75Å; L442-L456 HydrophobicContact CG-CD1 4.35Å; N443-L456 WeakPolarHBondContact OD1-CD1 3.21Å; Y446-L456 HydrophobicContact CD2-CD1 4.03Å; Y446-L456 HydrophobicContact CE2-CD1 4.37Å; I454-L456 HydrophobicContact CG2-CD2 3.98Å; L456-N464 HydrophobicContact CB-CB 4.27Å; L456-N464 HydrophobicContact CD1-CB 4.39Å; L456-V465 CarbonylContact C-O 3.52Å; L456-V465 WeakPolarHBondContact CA-O 3.29Å; L456-A466 HydrophobicContact CD2-CB 4.32Å
457	G	97.4	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-169.3	175.1	0	0	0	0	0	112.8	N464 V465 N504	G457-N464 VanDerWaalsContact O-CA 3.24Å; G457-N464 WeakPolarHBondContact O-CA 3.36Å; G457-N464 WeakPolarHBondContact O-CB 3.32Å; G457-N464 PolarHBondContact O-ND2 3.37Å; G457-V465 PolarHBondContact N-O 2.94Å; G457-V465 PolarHBondContact O-N 2.89Å; G457-N504 WeakPolarHBondContact CA-OD1 3.41Å
458	T	97.3	Very high	95.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.			trans	-139.8	127	175.8	-51.6	0	0	0	0	108.8	N504 F505 Y514 L520 I523	T458-N504 PolarHBondContact N-OD1 2.92Å; T458-N504 PolarHBondContact O-OD1 2.77Å; T458-F505 WeakPolarHBondContact O-CB 3.21Å; T458-F505 PolarHBondContact O-N 3.02Å; T458-Y514 HydrophobicContact CG2-CE1 4Å; T458-Y514 HydrophobicContact CG2-CE2 4.16Å; T458-Y514 PolarHBondContact OG1-OH 2.89Å; T458-L520 HydrophobicContact CG2-CD2 4.5Å; T458-I523 HydrophobicContact CG2-CD1 4.25Å; T458-I523 HydrophobicContact CG2-CG2 4.13Å; T458-I523 WeakPolarHBondContact OG1-CG2 3.42Å
459	V	96.5	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-143.9	-140.9	175.8	-159.3	0	0	0	0	108.2	A410 V465 F467 M499 A503 F505	A410-V459 HydrophobicContact CB-CB 4.31Å; A410-V459 HydrophobicContact CB-CG2 4.21Å; V459-V465 HydrophobicContact CG2-CG2 3.87Å; V459-F467 HydrophobicContact CG2-CE1 4.46Å; V459-F467 HydrophobicContact CG2-CE2 4.23Å; V459-F467 HydrophobicContact CG2-CZ 3.57Å; V459-M499 HydrophobicContact CG1-CE 3.45Å; V459-M499 VanDerWaalsContact CG1-CE 3.45Å; V459-M499 HydrophobicContact CG1-CG 4.24Å; V459-A503 VanDerWaalsContact CG2-O 3.26Å; V459-A503 WeakPolarHBondContact CG2-O 3.46Å; V459-F505 VanDerWaalsContact CA-CD2 3.49Å; V459-F505 HydrophobicContact CB-CE2 4.46Å; V459-F505 HydrophobicContact CG1-CD1 4.5Å; V459-F505 HydrophobicContact CG1-CE1 3.97Å; V459-F505 HydrophobicContact CG1-CE2 4.12Å; V459-F505 HydrophobicContact CG1-CZ 3.74Å; V459-F505 WeakPolarHBondContact O-CE2 3.47Å
460	W	95.5	Very high	95.9	Very high	70 Å²	70	21.2 Å²	21.2	27%	0.265	13%	0.13	S	C	.	.	S	Bend	trans	-67.8	-39.1	-176.9	-63.9	119.9	0	0	0	115.8	Y340 I369 N375 D408 F505	Y340-W460 HydrophobicContact CE1-CH2 4.41Å; I369-W460 HydrophobicContact CD1-CB 4.07Å; I369-W460 HydrophobicContact CD1-CD2 3.72Å; I369-W460 HydrophobicContact CD1-CE3 3.99Å; I369-W460 HydrophobicContact CD1-CG 3.77Å; N375-W460 HydrophobicContact CB-CB 4.05Å; N375-W460 VanDerWaalsContact CB-O 3.32Å; N375-W460 WeakPolarHBondContact CB-O 3.42Å; N375-W460 PolarHBondContact ND2-O 2.66Å; D408-W460 VanDerWaalsContact OD2-CD1 3.3Å; W460-F505 HydrophobicContact CD2-CE2 4.22Å; W460-F505 AromaticContact CD2-CZ 3.96Å; W460-F505 HydrophobicContact CD2-CZ 3.96Å; W460-F505 AromaticContact CE2-CZ 3.87Å; W460-F505 HydrophobicContact CE3-CE2 4.23Å; W460-F505 HydrophobicContact CE3-CZ 4.29Å; W460-F505 HydrophobicContact CG-CZ 4.41Å; W460-F505 HydrophobicContact CH2-CZ 4.44Å; W460-F505 HydrophobicContact CZ2-CZ 4.13Å
461	P	96	Very high	96.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-59.5	144.1	-179.7	-23.5	32.3	0	0	0	112.9	E374 N375 N412 N463 V465	E374-P461 WeakPolarHBondContact O-CA 3.48Å; N375-P461 WeakPolarHBondContact O-CG 3.2Å; N412-P461 HydrophobicContact CB-CB 3.78Å; N412-P461 HydrophobicContact CB-CG 4.48Å; P461-N463 PolarHBondContact O-N 3.18Å; P461-N463 VanDerWaalsContact O-O 3.12Å; P461-V465 HydrophobicContact CB-CG1 3.87Å; P461-V465 HydrophobicContact CG-CG1 3.6Å
462	Y	93.8	Very high	96.2	Very high	70 Å²	70	17.6 Å²	17.6	28%	0.275	9%	0.085	S	C	.	.	S	Bend	trans	-73.4	99.9	177.4	-58.5	-1.8	0	0	0	108.5	E374 N412 N519	E374-Y462 HydrophobicContact CB-CD1 4.5Å; E374-Y462 HydrophobicContact CB-CD2 3.54Å; E374-Y462 HydrophobicContact CB-CE2 4.01Å; E374-Y462 HydrophobicContact CB-CG 3.82Å; E374-Y462 HydrophobicContact CG-CD2 3.72Å; E374-Y462 HydrophobicContact CG-CE2 4.06Å; E374-Y462 HydrophobicContact CG-CG 4.46Å; E374-Y462 PolarHBondContact O-N 2.87Å; N412-Y462 PolarHBondContact ND2-O 3.41Å; Y462-N519 HydrophobicContact CD1-CB 3.79Å; Y462-N519 HydrophobicContact CD2-CB 4.15Å; Y462-N519 HydrophobicContact CE1-CB 3.91Å; Y462-N519 HydrophobicContact CE2-CB 4.26Å; Y462-N519 HydrophobicContact CG-CB 3.93Å
463	N	93.1	Very high	96.2	Very high	57 Å²	57	20.1 Å²	20.1	31%	0.305	10%	0.102	S	C	.	.	S	Bend	trans	117.3	173.7	-175.6	-73.5	-81.3	0	0	0	113.3	A414 Y446 P461 I523	A414-N463 HydrophobicContact CB-CB 3.51Å; Y446-N463 PolarHBondContact OH-OD1 3.27Å; P461-N463 PolarHBondContact O-N 3.18Å; P461-N463 VanDerWaalsContact O-O 3.12Å; N463-I523 VanDerWaalsContact CA-CD1 3.47Å
464	N	95.4	Very high	96.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	11%	0.108	C	C	.	.			trans	-61.2	150.2	176.1	-68.6	104.2	0	0	0	113	V413 Y446 L456 G457 I523	V413-N464 HydrophobicContact CG2-CB 4.25Å; V413-N464 WeakPolarHBondContact CG2-O 3.46Å; V413-N464 PolarHBondContact N-O 3.39Å; V413-N464 VanDerWaalsContact N-O 3.1Å; Y446-N464 HydrophobicContact CE2-CB 3.88Å; Y446-N464 PolarHBondContact OH-OD1 3.03Å; Y446-N464 VanDerWaalsContact OH-OD1 3.13Å; L456-N464 HydrophobicContact CB-CB 4.27Å; L456-N464 HydrophobicContact CD1-CB 4.39Å; G457-N464 VanDerWaalsContact O-CA 3.24Å; G457-N464 WeakPolarHBondContact O-CA 3.36Å; G457-N464 WeakPolarHBondContact O-CB 3.32Å; G457-N464 PolarHBondContact O-ND2 3.37Å; N464-I523 VanDerWaalsContact ND2-CG2 3.31Å; N464-I523 WeakPolarHBondContact ND2-CG2 3.37Å
465	V	96.4	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	159	-179	-59.9	0	0	0	0	111.6	A410 I411 L456 G457 V459 P461 F467	A410-V465 HydrophobicContact CB-CB 4.16Å; A410-V465 HydrophobicContact CB-CG1 4.16Å; A410-V465 HydrophobicContact CB-CG2 4.11Å; I411-V465 CarbonylContact O-C 3.5Å; I411-V465 WeakPolarHBondContact O-CA 3.38Å; L456-V465 CarbonylContact C-O 3.52Å; L456-V465 WeakPolarHBondContact CA-O 3.29Å; G457-V465 PolarHBondContact N-O 2.94Å; G457-V465 PolarHBondContact O-N 2.89Å; V459-V465 HydrophobicContact CG2-CG2 3.87Å; P461-V465 HydrophobicContact CB-CG1 3.87Å; P461-V465 HydrophobicContact CG-CG1 3.6Å; V465-F467 HydrophobicContact CG2-CD2 4.41Å; V465-F467 HydrophobicContact CG2-CE2 3.81Å; V465-F467 HydrophobicContact CG2-CZ 4.34Å
466	A	96.5	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.5	167.2	0	0	0	0	0	110	I411 V413 F430 I454 L456	I411-A466 PolarHBondContact N-O 2.87Å; I411-A466 PolarHBondContact O-N 2.87Å; V413-A466 HydrophobicContact CG1-CB 3.64Å; F430-A466 HydrophobicContact CB-CB 4.33Å; F430-A466 HydrophobicContact CD1-CB 3.64Å; F430-A466 HydrophobicContact CD2-CB 4.16Å; F430-A466 HydrophobicContact CE1-CB 3.89Å; F430-A466 HydrophobicContact CE2-CB 4.36Å; F430-A466 HydrophobicContact CG-CB 3.79Å; F430-A466 HydrophobicContact CZ-CB 4.24Å; I454-A466 HydrophobicContact CG2-CB 3.66Å; L456-A466 HydrophobicContact CD2-CB 4.32Å
467	F	97.8	Very high	95.7	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.135	C	C	.	.			trans	-92.8	126.7	179.4	-72.2	-98.4	0	0	0	110.4	P409 F430 I431 V459 V465 P502 A503 L555	P409-F467 HydrophobicContact CG-CD1 4.5Å; P409-F467 VanDerWaalsContact O-CD1 3.25Å; P409-F467 WeakPolarHBondContact O-CD1 3.43Å; F430-F467 WeakPolarHBondContact CA-O 3.43Å; I431-F467 HydrophobicContact CD1-CB 4.04Å; I431-F467 HydrophobicContact CG1-CB 4.4Å; I431-F467 PolarHBondContact N-O 3.19Å; V459-F467 HydrophobicContact CG2-CE1 4.46Å; V459-F467 HydrophobicContact CG2-CE2 4.23Å; V459-F467 HydrophobicContact CG2-CZ 3.57Å; V465-F467 HydrophobicContact CG2-CD2 4.41Å; V465-F467 HydrophobicContact CG2-CE2 3.81Å; V465-F467 HydrophobicContact CG2-CZ 4.34Å; F467-P502 HydrophobicContact CD1-CB 3.88Å; F467-P502 HydrophobicContact CE1-CB 3.96Å; F467-A503 VanDerWaalsContact CZ-O 3.31Å; F467-A503 WeakPolarHBondContact CZ-O 3.45Å; F467-L555 HydrophobicContact CB-CD1 4Å; F467-L555 HydrophobicContact CD2-CD1 3.93Å; F467-L555 HydrophobicContact CD2-CD2 3.7Å; F467-L555 HydrophobicContact CD2-CG 4.25Å; F467-L555 HydrophobicContact CE2-CD2 3.74Å; F467-L555 HydrophobicContact CE2-CG 4.44Å; F467-L555 HydrophobicContact CG-CD1 3.93Å; F467-L555 HydrophobicContact CG-CD2 4.5Å
468	P	96.9	Very high	95.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-58.7	138.4	172.7	-24.3	35.1	0	0	0	111.8	P409 I411 V429 F430 F470 W478 Y576	P409-P468 WeakPolarHBondContact O-CD 3.27Å; I411-P468 HydrophobicContact CG1-CG 4.43Å; V429-P468 CarbonylContact O-C 3.58Å; V429-P468 WeakPolarHBondContact O-CA 3.31Å; F430-P468 HydrophobicContact CE1-CG 4.49Å; P468-F470 HydrophobicContact CB-CD1 4.45Å; P468-F470 HydrophobicContact CB-CD2 4.42Å; P468-F470 HydrophobicContact CB-CE1 4.02Å; P468-F470 HydrophobicContact CB-CE2 3.99Å; P468-F470 HydrophobicContact CB-CZ 3.78Å; P468-F470 HydrophobicContact CG-CE2 4.46Å; P468-F470 HydrophobicContact CG-CZ 4.09Å; P468-F470 PolarHBondContact O-N 3.48Å; P468-W478 HydrophobicContact CB-CZ3 3.86Å; P468-W478 HydrophobicContact CG-CH2 3.91Å; P468-W478 HydrophobicContact CG-CZ3 3.64Å; P468-Y576 WeakPolarHBondContact O-CE2 3.24Å; P468-Y576 PolarHBondContact O-OH 3.47Å
469	D	97.5	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.			trans	-94	89.6	170.7	-177.8	15.3	0	0	0	109.5	V429 I431 F471 K472 A475 Q561 G562	V429-D469 PolarHBondContact O-N 3.25Å; I431-D469 HydrophobicContact CG1-CB 3.89Å; D469-F471 PolarHBondContact O-N 2.86Å; D469-F471 PolarHBondContact OD1-N 3.5Å; D469-K472 HydrophobicContact CB-CD 4.07Å; D469-K472 HydrophobicContact CB-CG 4.15Å; D469-K472 WeakPolarHBondContact O-CB 3.35Å; D469-K472 PolarHBondContact O-N 3.43Å; D469-K472 VanDerWaalsContact OD2-CE 3.26Å; D469-K472 WeakPolarHBondContact OD2-CE 3.44Å; D469-K472 WeakPolarHBondContact OD2-CG 3.34Å; D469-A475 WeakPolarHBondContact O-CB 3.35Å; D469-Q561 WeakPolarHBondContact OD1-CB 3.28Å; D469-Q561 PolarHBondContact OD1-NE2 2.99Å; D469-Q561 VanDerWaalsContact OD1-NE2 3.11Å; D469-Q561 WeakPolarHBondContact OD2-CA 3.3Å; D469-G562 PolarHBondContact OD2-N 2.66Å
470	F	97.6	Very high	95.5	Very high	8 Å²	8	29 Å²	29	4%	0.035	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.6	-176.4	-63.5	-72.5	0	0	0	114.5	P409 P468 K472 W479 Y576 S579 E580	P409-F470 HydrophobicContact CB-CE2 4.15Å; P409-F470 HydrophobicContact CB-CZ 4.48Å; P468-F470 HydrophobicContact CB-CD1 4.45Å; P468-F470 HydrophobicContact CB-CD2 4.42Å; P468-F470 HydrophobicContact CB-CE1 4.02Å; P468-F470 HydrophobicContact CB-CE2 3.99Å; P468-F470 HydrophobicContact CB-CZ 3.78Å; P468-F470 HydrophobicContact CG-CE2 4.46Å; P468-F470 HydrophobicContact CG-CZ 4.09Å; P468-F470 PolarHBondContact O-N 3.48Å; F470-K472 PolarHBondContact O-N 2.96Å; F470-W479 HydrophobicContact CE1-CB 4.06Å; F470-W479 AromaticContact CE1-CD1 3.84Å; F470-W479 AromaticContact CE1-CD2 3.85Å; F470-W479 HydrophobicContact CE1-CD2 3.85Å; F470-W479 HydrophobicContact CE1-CE3 4.4Å; F470-W479 AromaticContact CE1-CG 3.67Å; F470-W479 HydrophobicContact CE1-CG 3.67Å; F470-W479 HydrophobicContact CZ-CD2 4.13Å; F470-W479 HydrophobicContact CZ-CE3 4.43Å; F470-W479 HydrophobicContact CZ-CG 4.42Å; F470-Y576 HydrophobicContact CD2-CE1 4.04Å; F470-Y576 HydrophobicContact CD2-CE2 4.12Å; F470-Y576 AromaticContact CD2-CZ 3.78Å; F470-Y576 AromaticContact CE2-CE1 3.82Å; F470-Y576 HydrophobicContact CE2-CE1 3.82Å; F470-Y576 HydrophobicContact CE2-CE2 4.48Å; F470-Y576 AromaticContact CE2-CZ 3.7Å; F470-S579 WeakPolarHBondContact CB-O 3.42Å; F470-S579 WeakPolarHBondContact CB-OG 3.47Å; F470-E580 HydrophobicContact CD1-CB 4.49Å; F470-E580 HydrophobicContact CD2-CB 3.64Å; F470-E580 HydrophobicContact CD2-CG 4.22Å; F470-E580 HydrophobicContact CE1-CB 4.39Å; F470-E580 HydrophobicContact CE1-CG 4.1Å; F470-E580 HydrophobicContact CE2-CB 3.51Å; F470-E580 HydrophobicContact CE2-CG 3.6Å; F470-E580 HydrophobicContact CG-CB 4.14Å; F470-E580 HydrophobicContact CZ-CB 3.91Å; F470-E580 HydrophobicContact CZ-CG 3.53Å
471	F	97.1	Very high	95.5	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.145	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.1	167.2	-65.5	-82.3	0	0	0	113	P149 F150 D469 Y567 V572 L575	P149-F471 HydrophobicContact CG-CD1 4.39Å; P149-F471 HydrophobicContact CG-CE1 3.85Å; F150-F471 AromaticContact CE2-CE1 3.92Å; F150-F471 HydrophobicContact CE2-CE1 3.92Å; F150-F471 HydrophobicContact CE2-CZ 4.3Å; F150-F471 HydrophobicContact CZ-CE1 4.35Å; D469-F471 PolarHBondContact O-N 2.86Å; D469-F471 PolarHBondContact OD1-N 3.5Å; F471-Y567 HydrophobicContact CD1-CD2 4.46Å; F471-Y567 HydrophobicContact CD1-CE2 4.3Å; F471-Y567 HydrophobicContact CG-CD2 4.42Å; F471-V572 HydrophobicContact CD2-CG2 4.37Å; F471-V572 HydrophobicContact CE1-CG1 4.44Å; F471-V572 HydrophobicContact CE2-CB 3.67Å; F471-V572 HydrophobicContact CE2-CG1 4.2Å; F471-V572 HydrophobicContact CE2-CG2 3.86Å; F471-V572 HydrophobicContact CZ-CB 3.74Å; F471-V572 HydrophobicContact CZ-CG1 3.98Å; F471-V572 HydrophobicContact CZ-CG2 4.43Å; F471-L575 HydrophobicContact CZ-CB 3.85Å; F471-L575 HydrophobicContact CZ-CD1 4.38Å
472	K	96	Very high	95.4	Very high	13 Å²	13	31.4 Å²	31.4	6%	0.057	16%	0.163	C	C	.	.	S	Bend	trans	-87.7	125.4	172.7	-65	-178.9	-178.6	173.5	0	110.4	D428 F430 D469 F470 N474 A475 T476 G562	D428-K472 WeakPolarHBondContact O-CD 3.45Å; D428-K472 IonicContact OD1-NZ 3.16Å; D428-K472 PolarHBondContact OD1-NZ 2.94Å; D428-K472 IonicContact OD2-NZ 2.79Å; F430-K472 PolarHBondContact O-NZ 2.93Å; D469-K472 HydrophobicContact CB-CD 4.07Å; D469-K472 HydrophobicContact CB-CG 4.15Å; D469-K472 WeakPolarHBondContact O-CB 3.35Å; D469-K472 PolarHBondContact O-N 3.43Å; D469-K472 VanDerWaalsContact OD2-CE 3.26Å; D469-K472 WeakPolarHBondContact OD2-CE 3.44Å; D469-K472 WeakPolarHBondContact OD2-CG 3.34Å; F470-K472 PolarHBondContact O-N 2.96Å; K472-N474 PolarHBondContact O-N 3.18Å; K472-N474 VanDerWaalsContact O-N 3.11Å; K472-A475 HydrophobicContact CB-CB 4.08Å; K472-A475 WeakPolarHBondContact O-CB 3.36Å; K472-A475 PolarHBondContact O-N 3.46Å; K472-T476 PolarHBondContact O-N 2.57Å; K472-T476 VanDerWaalsContact O-N 3.15Å; K472-T476 PolarHBondContact O-OG1 3.48Å; K472-G562 WeakPolarHBondContact CE-O 3.27Å
473	P	93.6	Very high	95.6	Very high	86 Å²	86	28.1 Å²	28.1	56%	0.558	15%	0.15	S	C	*	.	H	α-helix	trans	-56.8	-30.7	175	-26.9	35	0	0	0	114.2	T476 S477	P473-T476 WeakPolarHBondContact O-CB 3.35Å; P473-S477 PolarHBondContact O-N 3.01Å; P473-S477 VanDerWaalsContact O-N 3.07Å; P473-S477 PolarHBondContact O-OG 3.05Å
474	N	93.4	Very high	95.8	Very high	90 Å²	90	27.8 Å²	27.8	48%	0.481	15%	0.148	S	C	.	.	H	α-helix	trans	-67.4	-41.2	175.2	-74.6	-3.5	0	0	0	111.9	T427 V429 K472 S477 W478	T427-N474 PolarHBondContact O-ND2 3.24Å; V429-N474 HydrophobicContact CG1-CB 4.16Å; K472-N474 PolarHBondContact O-N 3.18Å; K472-N474 VanDerWaalsContact O-N 3.11Å; N474-S477 PolarHBondContact O-N 3.3Å; N474-W478 VanDerWaalsContact O-CB 3.24Å; N474-W478 WeakPolarHBondContact O-CB 3.41Å; N474-W478 PolarHBondContact O-N 3.14Å
475	A	94.9	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-44.3	176.8	0	0	0	0	0	110.5	V429 D469 K472 S477 W478 W479	V429-A475 HydrophobicContact CB-CB 3.91Å; V429-A475 HydrophobicContact CG1-CB 4.32Å; V429-A475 WeakPolarHBondContact O-CB 3.35Å; D469-A475 WeakPolarHBondContact O-CB 3.35Å; K472-A475 HydrophobicContact CB-CB 4.08Å; K472-A475 WeakPolarHBondContact O-CB 3.36Å; K472-A475 PolarHBondContact O-N 3.46Å; A475-S477 VanDerWaalsContact C-N 3.34Å; A475-S477 PolarHBondContact O-N 3.27Å; A475-W478 PolarHBondContact O-N 3.45Å; A475-W479 WeakPolarHBondContact O-CB 3.31Å; A475-W479 PolarHBondContact O-N 3.41Å
476	T	93.9	Very high	95.8	Very high	29 Å²	29	31.7 Å²	31.7	18%	0.178	17%	0.169	C	C	.	.	H	α-helix	trans	-53.9	-48.9	172.7	-55.5	0	0	0	0	112.2	K472 P473 K480 P583	K472-T476 PolarHBondContact O-N 2.57Å; K472-T476 VanDerWaalsContact O-N 3.15Å; K472-T476 PolarHBondContact O-OG1 3.48Å; P473-T476 WeakPolarHBondContact O-CB 3.35Å; T476-K480 HydrophobicContact CG2-CD 4.26Å; T476-K480 WeakPolarHBondContact O-CB 3.46Å; T476-K480 VanDerWaalsContact O-CG 3.23Å; T476-K480 WeakPolarHBondContact O-CG 3.5Å; T476-K480 PolarHBondContact O-N 3.27Å; T476-P583 HydrophobicContact CG2-CB 3.89Å; T476-P583 HydrophobicContact CG2-CG 3.81Å
477	S	93.7	Very high	95.8	Very high	76 Å²	76	34.2 Å²	34.2	53%	0.531	18%	0.179	S	C	.	.	H	α-helix	trans	-69.2	-40.6	-177.2	-57.4	0	0	0	0	112.2	P473 N474 A475 K481	P473-S477 PolarHBondContact O-N 3.01Å; P473-S477 VanDerWaalsContact O-N 3.07Å; P473-S477 PolarHBondContact O-OG 3.05Å; N474-S477 PolarHBondContact O-N 3.3Å; A475-S477 VanDerWaalsContact C-N 3.34Å; A475-S477 PolarHBondContact O-N 3.27Å; S477-K481 PolarHBondContact O-N 2.77Å; S477-K481 VanDerWaalsContact O-N 3.15Å
478	W	94.5	Very high	95.7	Very high	15 Å²	15	39.3 Å²	39.3	6%	0.057	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-46	175.9	162.4	84.8	0	0	0	111.6	I411 P420 V429 F430 P468 N474 A475 K480 K481 L482	I411-W478 HydrophobicContact CD1-CH2 4.09Å; I411-W478 HydrophobicContact CG1-CH2 3.68Å; I411-W478 HydrophobicContact CG1-CZ2 4.17Å; P420-W478 HydrophobicContact CB-CZ2 4.03Å; P420-W478 PolarHBondContact O-NE1 3.09Å; P420-W478 VanDerWaalsContact O-NE1 3.07Å; V429-W478 HydrophobicContact CB-CD2 4.44Å; V429-W478 HydrophobicContact CB-CE3 4.25Å; V429-W478 HydrophobicContact CG1-CB 4.11Å; V429-W478 HydrophobicContact CG1-CD2 4.42Å; V429-W478 HydrophobicContact CG1-CG 4.26Å; V429-W478 HydrophobicContact CG2-CD2 4.16Å; V429-W478 HydrophobicContact CG2-CE3 4.21Å; V429-W478 HydrophobicContact CG2-CZ3 4.49Å; F430-W478 HydrophobicContact CE1-CH2 4.03Å; F430-W478 HydrophobicContact CE1-CZ2 4.39Å; F430-W478 HydrophobicContact CZ-CH2 4.36Å; F430-W478 HydrophobicContact CZ-CZ2 4.26Å; P468-W478 HydrophobicContact CB-CZ3 3.86Å; P468-W478 HydrophobicContact CG-CH2 3.91Å; P468-W478 HydrophobicContact CG-CZ3 3.64Å; N474-W478 VanDerWaalsContact O-CB 3.24Å; N474-W478 WeakPolarHBondContact O-CB 3.41Å; N474-W478 PolarHBondContact O-N 3.14Å; A475-W478 PolarHBondContact O-N 3.45Å; W478-K480 PolarHBondContact O-N 2.87Å; W478-K481 WeakPolarHBondContact O-CB 3.47Å; W478-K481 PolarHBondContact O-N 2.75Å; W478-K481 VanDerWaalsContact O-N 3.16Å; W478-L482 HydrophobicContact CD2-CD1 4.09Å; W478-L482 HydrophobicContact CE3-CD1 4.49Å; W478-L482 HydrophobicContact CH2-CD1 3.85Å; W478-L482 HydrophobicContact CZ2-CD1 3.42Å; W478-L482 VanDerWaalsContact CZ2-CD1 3.42Å; W478-L482 HydrophobicContact CZ3-CD1 4.37Å; W478-L482 PolarHBondContact O-N 2.58Å
479	W	95.9	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-46.6	177.9	-175.8	-111.7	0	0	0	112.1	F378 V407 I411 F470 A475 K481 L482 I483 T584	F378-W479 HydrophobicContact CE2-CE3 4.13Å; F378-W479 AromaticContact CE2-CH2 3.92Å; F378-W479 HydrophobicContact CE2-CH2 3.92Å; F378-W479 AromaticContact CE2-CZ3 3.55Å; F378-W479 HydrophobicContact CE2-CZ3 3.55Å; F378-W479 HydrophobicContact CZ-CD2 4.46Å; F378-W479 HydrophobicContact CZ-CE3 4.02Å; F378-W479 AromaticContact CZ-CH2 3.73Å; F378-W479 HydrophobicContact CZ-CH2 3.73Å; F378-W479 HydrophobicContact CZ-CZ2 4.18Å; F378-W479 AromaticContact CZ-CZ3 3.64Å; F378-W479 HydrophobicContact CZ-CZ3 3.64Å; V407-W479 HydrophobicContact CG2-CZ2 4.39Å; I411-W479 HydrophobicContact CD1-CZ3 4.29Å; F470-W479 HydrophobicContact CE1-CB 4.06Å; F470-W479 AromaticContact CE1-CD1 3.84Å; F470-W479 AromaticContact CE1-CD2 3.85Å; F470-W479 HydrophobicContact CE1-CD2 3.85Å; F470-W479 HydrophobicContact CE1-CE3 4.4Å; F470-W479 AromaticContact CE1-CG 3.67Å; F470-W479 HydrophobicContact CE1-CG 3.67Å; F470-W479 HydrophobicContact CZ-CD2 4.13Å; F470-W479 HydrophobicContact CZ-CE3 4.43Å; F470-W479 HydrophobicContact CZ-CG 4.42Å; A475-W479 WeakPolarHBondContact O-CB 3.31Å; A475-W479 PolarHBondContact O-N 3.41Å; W479-K481 VanDerWaalsContact C-N 3.27Å; W479-K481 PolarHBondContact O-N 3.19Å; W479-L482 HydrophobicContact CE3-CD1 4.41Å; W479-L482 PolarHBondContact O-N 2.77Å; W479-L482 VanDerWaalsContact O-N 3.11Å; W479-I483 HydrophobicContact CG-CD1 4.38Å; W479-I483 PolarHBondContact O-N 2.48Å; W479-I483 VanDerWaalsContact O-N 3.1Å; W479-T584 PolarHBondContact NE1-OG1 2.76Å
480	K	95.8	Very high	95.4	Very high	60 Å²	60	42 Å²	42	26%	0.261	23%	0.23	S	C	.	.	H	α-helix	trans	-54.1	-45.5	173.9	-75.7	175.8	179.6	-171.3	0	111.7	T476 W478 L482 I483 L484 A587	T476-K480 HydrophobicContact CG2-CD 4.26Å; T476-K480 WeakPolarHBondContact O-CB 3.46Å; T476-K480 VanDerWaalsContact O-CG 3.23Å; T476-K480 WeakPolarHBondContact O-CG 3.5Å; T476-K480 PolarHBondContact O-N 3.27Å; W478-K480 PolarHBondContact O-N 2.87Å; K480-L482 PolarHBondContact O-N 2.85Å; K480-I483 PolarHBondContact O-N 2.86Å; K480-L484 VanDerWaalsContact O-CG 3.3Å; K480-L484 WeakPolarHBondContact O-CG 3.31Å; K480-L484 PolarHBondContact O-N 3.35Å; K480-A587 HydrophobicContact CB-CB 4.07Å; K480-A587 HydrophobicContact CG-CB 3.86Å
481	K	95.1	Very high	95.4	Very high	109 Å²	109	42.9 Å²	42.9	47%	0.474	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-41.6	178.1	177.5	166.2	175.6	45.6	0	112.4	S477 W478 W479 L484 D485	S477-K481 PolarHBondContact O-N 2.77Å; S477-K481 VanDerWaalsContact O-N 3.15Å; W478-K481 WeakPolarHBondContact O-CB 3.47Å; W478-K481 PolarHBondContact O-N 2.75Å; W478-K481 VanDerWaalsContact O-N 3.16Å; W479-K481 VanDerWaalsContact C-N 3.27Å; W479-K481 PolarHBondContact O-N 3.19Å; K481-L484 PolarHBondContact O-N 3.06Å; K481-D485 WeakPolarHBondContact CE-OD2 3.28Å; K481-D485 WeakPolarHBondContact CG-OD2 3.38Å; K481-D485 IonicContact NZ-OD1 3.26Å; K481-D485 PolarHBondContact NZ-OD1 3.13Å; K481-D485 IonicContact NZ-OD2 2.85Å; K481-D485 PolarHBondContact NZ-OD2 2.95Å; K481-D485 WeakPolarHBondContact O-CB 3.14Å; K481-D485 PolarHBondContact O-N 3.15Å
482	L	95.4	Very high	95.5	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-44.4	177.4	-65.9	177.3	0	0	0	111.9	F378 P420 W478 W479 K480 D485 F486	F378-L482 HydrophobicContact CD1-CB 4.12Å; F378-L482 HydrophobicContact CD2-CB 4.21Å; F378-L482 HydrophobicContact CD2-CD1 4.07Å; F378-L482 HydrophobicContact CE1-CB 3.79Å; F378-L482 HydrophobicContact CE2-CB 3.9Å; F378-L482 HydrophobicContact CE2-CD1 3.7Å; F378-L482 HydrophobicContact CE2-CG 4.42Å; F378-L482 HydrophobicContact CG-CB 4.31Å; F378-L482 HydrophobicContact CZ-CB 3.67Å; F378-L482 HydrophobicContact CZ-CD1 4.22Å; P420-L482 HydrophobicContact CB-CD1 3.94Å; P420-L482 HydrophobicContact CB-CD2 4.41Å; P420-L482 HydrophobicContact CG-CD1 3.99Å; P420-L482 HydrophobicContact CG-CD2 4.14Å; W478-L482 HydrophobicContact CD2-CD1 4.09Å; W478-L482 HydrophobicContact CE3-CD1 4.49Å; W478-L482 HydrophobicContact CH2-CD1 3.85Å; W478-L482 HydrophobicContact CZ2-CD1 3.42Å; W478-L482 VanDerWaalsContact CZ2-CD1 3.42Å; W478-L482 HydrophobicContact CZ3-CD1 4.37Å; W478-L482 PolarHBondContact O-N 2.58Å; W479-L482 HydrophobicContact CE3-CD1 4.41Å; W479-L482 PolarHBondContact O-N 2.77Å; W479-L482 VanDerWaalsContact O-N 3.11Å; K480-L482 PolarHBondContact O-N 2.85Å; L482-D485 PolarHBondContact O-N 2.91Å; L482-F486 VanDerWaalsContact O-CB 3.22Å; L482-F486 WeakPolarHBondContact O-CB 3.29Å; L482-F486 PolarHBondContact O-N 3.35Å
483	I	97.4	Very high	95.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-46.4	177.2	-70.7	169.4	0	0	0	111.3	F378 W479 K480 F486 R487 Y492 L495 T584 A587 I588	F378-I483 HydrophobicContact CE1-CG1 3.9Å; F378-I483 HydrophobicContact CZ-CG1 4.24Å; W479-I483 HydrophobicContact CG-CD1 4.38Å; W479-I483 PolarHBondContact O-N 2.48Å; W479-I483 VanDerWaalsContact O-N 3.1Å; K480-I483 PolarHBondContact O-N 2.86Å; I483-F486 PolarHBondContact O-N 2.86Å; I483-R487 PolarHBondContact O-N 3.36Å; I483-Y492 WeakPolarHBondContact CG2-OH 3.49Å; I483-Y492 PolarHBondContact O-OH 2.73Å; I483-L495 HydrophobicContact CD1-CD1 4.13Å; I483-L495 HydrophobicContact CG1-CD1 4.06Å; I483-L495 HydrophobicContact CG2-CD1 3.93Å; I483-T584 HydrophobicContact CD1-CG2 3.96Å; I483-A587 HydrophobicContact CB-CB 3.71Å; I483-A587 HydrophobicContact CD1-CB 3.68Å; I483-A587 HydrophobicContact CG1-CB 4.29Å; I483-A587 HydrophobicContact CG2-CB 3.58Å; I483-I588 HydrophobicContact CG2-CG1 4.23Å
484	L	96.8	Very high	95.8	Very high	51 Å²	51	36.8 Å²	36.8	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-47.9	176.9	-73.8	170	0	0	0	111.8	K480 K481 F486 R487 E590 A591	K480-L484 VanDerWaalsContact O-CG 3.3Å; K480-L484 WeakPolarHBondContact O-CG 3.31Å; K480-L484 PolarHBondContact O-N 3.35Å; K481-L484 PolarHBondContact O-N 3.06Å; L484-F486 VanDerWaalsContact C-N 3.32Å; L484-F486 PolarHBondContact O-N 2.72Å; L484-R487 VanDerWaalsContact O-CB 3.28Å; L484-R487 WeakPolarHBondContact O-CB 3.41Å; L484-R487 PolarHBondContact O-N 2.89Å; L484-E590 HydrophobicContact CD2-CB 3.91Å; L484-E590 HydrophobicContact CD2-CG 3.75Å; L484-A591 HydrophobicContact CD2-CB 3.88Å
485	D	96	Very high	96	Very high	78 Å²	78	32.5 Å²	32.5	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-65.9	-38.3	179.8	-69.2	-17.6	0	0	0	110.3	K481 L482 R487 S488	K481-D485 WeakPolarHBondContact CE-OD2 3.28Å; K481-D485 WeakPolarHBondContact CG-OD2 3.38Å; K481-D485 IonicContact NZ-OD1 3.26Å; K481-D485 PolarHBondContact NZ-OD1 3.13Å; K481-D485 IonicContact NZ-OD2 2.85Å; K481-D485 PolarHBondContact NZ-OD2 2.95Å; K481-D485 WeakPolarHBondContact O-CB 3.14Å; K481-D485 PolarHBondContact O-N 3.15Å; L482-D485 PolarHBondContact O-N 2.91Å; D485-R487 VanDerWaalsContact C-N 3.27Å; D485-R487 PolarHBondContact O-N 3.3Å; D485-S488 WeakPolarHBondContact O-CB 3.23Å; D485-S488 PolarHBondContact O-N 2.92Å; D485-S488 VanDerWaalsContact O-N 3.12Å; D485-S488 PolarHBondContact O-OG 3.01Å
486	F	96.4	Very high	96.2	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-27.5	179.6	-170.7	-122.7	0	0	0	113.6	Y371 F378 L482 I483 L484 S488 T489 L490 Y492	Y371-F486 AromaticContact CE2-CZ 3.88Å; Y371-F486 HydrophobicContact CE2-CZ 3.88Å; F378-F486 HydrophobicContact CB-CD2 4.16Å; F378-F486 HydrophobicContact CD1-CB 3.77Å; F378-F486 HydrophobicContact CD1-CD1 4.22Å; F378-F486 HydrophobicContact CD1-CD2 4.39Å; F378-F486 AromaticContact CD1-CG 3.9Å; F378-F486 HydrophobicContact CD1-CG 3.9Å; F378-F486 HydrophobicContact CE1-CB 4.49Å; L482-F486 VanDerWaalsContact O-CB 3.22Å; L482-F486 WeakPolarHBondContact O-CB 3.29Å; L482-F486 PolarHBondContact O-N 3.35Å; I483-F486 PolarHBondContact O-N 2.86Å; L484-F486 VanDerWaalsContact C-N 3.32Å; L484-F486 PolarHBondContact O-N 2.72Å; F486-S488 PolarHBondContact O-N 3.05Å; F486-T489 HydrophobicContact CD2-CG2 4.42Å; F486-T489 HydrophobicContact CE2-CG2 4.18Å; F486-T489 WeakPolarHBondContact O-CA 3.48Å; F486-T489 WeakPolarHBondContact O-CB 3.2Å; F486-T489 PolarHBondContact O-N 3.31Å; F486-L490 HydrophobicContact CE1-CB 4.35Å; F486-L490 HydrophobicContact CE1-CD1 4.01Å; F486-L490 HydrophobicContact CE2-CD1 4.43Å; F486-L490 HydrophobicContact CZ-CB 4.36Å; F486-L490 HydrophobicContact CZ-CD1 3.57Å; F486-L490 HydrophobicContact CZ-CG 4.13Å; F486-L490 PolarHBondContact O-N 3.3Å; F486-Y492 HydrophobicContact CD1-CD1 4.22Å; F486-Y492 AromaticContact CD1-CE1 3.97Å; F486-Y492 HydrophobicContact CD1-CE1 3.97Å
487	R	96.7	Very high	96.4	Very high	53 Å²	53	31.2 Å²	31.2	20%	0.2	17%	0.174	C	C	.	.	H	α-helix	trans	-56.7	-31	172.8	-176.1	68.6	-178.9	127.3	-8.6	113.2	I483 L484 D485 T489 L490 A491 Y492 A591	I483-R487 PolarHBondContact O-N 3.36Å; L484-R487 VanDerWaalsContact O-CB 3.28Å; L484-R487 WeakPolarHBondContact O-CB 3.41Å; L484-R487 PolarHBondContact O-N 2.89Å; D485-R487 VanDerWaalsContact C-N 3.27Å; D485-R487 PolarHBondContact O-N 3.3Å; R487-T489 PolarHBondContact O-N 2.77Å; R487-L490 PolarHBondContact NH1-O 3.03Å; R487-L490 CarbonylContact O-C 3.56Å; R487-L490 VanDerWaalsContact O-O 3.05Å; R487-A491 PolarHBondContact NH1-O 3.25Å; R487-Y492 HydrophobicContact CB-CE1 3.91Å; R487-Y492 PolarHBondContact NH1-O 3.22Å; R487-Y492 PolarHBondContact NH2-O 2.67Å; R487-A591 HydrophobicContact CB-CB 4.04Å; R487-A591 HydrophobicContact CG-CB 4.07Å
488	S	94.6	Very high	96.6	Very high	108 Å²	108	28.2 Å²	28.2	76%	0.755	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20	175.8	72.9	0	0	0	0	113	D485 F486	D485-S488 WeakPolarHBondContact O-CB 3.23Å; D485-S488 PolarHBondContact O-N 2.92Å; D485-S488 VanDerWaalsContact O-N 3.12Å; D485-S488 PolarHBondContact O-OG 3.01Å; F486-S488 PolarHBondContact O-N 3.05Å
489	T	94.1	Very high	96.8	Very high	55 Å²	55	27.6 Å²	27.6	34%	0.337	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-43.2	178.3	-63.4	0	0	0	0	111.5	I380 F486 R487	I380-T489 HydrophobicContact CD1-CG2 3.54Å; I380-T489 HydrophobicContact CG1-CG2 4.02Å; F486-T489 HydrophobicContact CD2-CG2 4.42Å; F486-T489 HydrophobicContact CE2-CG2 4.18Å; F486-T489 WeakPolarHBondContact O-CA 3.48Å; F486-T489 WeakPolarHBondContact O-CB 3.2Å; F486-T489 PolarHBondContact O-N 3.31Å; R487-T489 PolarHBondContact O-N 2.77Å
490	L	95.6	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.			trans	-122.3	129.3	175.8	-77.1	179.6	0	0	0	113.9	Y371 I380 L388 P389 F405 F486 R487 Y492	Y371-L490 HydrophobicContact CD2-CD1 4.17Å; Y371-L490 HydrophobicContact CE2-CD1 3.94Å; I380-L490 HydrophobicContact CD1-CD1 4.25Å; I380-L490 HydrophobicContact CD1-CD2 3.74Å; I380-L490 HydrophobicContact CD1-CG 3.8Å; I380-L490 HydrophobicContact CG1-CD1 4.32Å; I380-L490 HydrophobicContact CG1-CG 4.36Å; L388-L490 HydrophobicContact CD2-CD2 4.44Å; L388-L490 HydrophobicContact CG-CD2 4.32Å; P389-L490 HydrophobicContact CB-CD2 4.28Å; P389-L490 HydrophobicContact CG-CD2 3.91Å; F405-L490 HydrophobicContact CD1-CD1 4.07Å; F405-L490 HydrophobicContact CD2-CD1 4.28Å; F405-L490 HydrophobicContact CE1-CD1 3.93Å; F405-L490 HydrophobicContact CE2-CB 4.42Å; F405-L490 HydrophobicContact CE2-CD1 4.12Å; F405-L490 HydrophobicContact CG-CD1 4.23Å; F405-L490 HydrophobicContact CZ-CD1 3.95Å; F405-L490 HydrophobicContact CZ-CD2 4.4Å; F486-L490 HydrophobicContact CE1-CB 4.35Å; F486-L490 HydrophobicContact CE1-CD1 4.01Å; F486-L490 HydrophobicContact CE2-CD1 4.43Å; F486-L490 HydrophobicContact CZ-CB 4.36Å; F486-L490 HydrophobicContact CZ-CD1 3.57Å; F486-L490 HydrophobicContact CZ-CG 4.13Å; F486-L490 PolarHBondContact O-N 3.3Å; R487-L490 PolarHBondContact NH1-O 3.03Å; R487-L490 CarbonylContact O-C 3.56Å; R487-L490 VanDerWaalsContact O-O 3.05Å; L490-Y492 HydrophobicContact CB-CD1 4.45Å; L490-Y492 WeakPolarHBondContact O-CD1 3.35Å; L490-Y492 PolarHBondContact O-N 2.98Å
491	A	97	Very high	96.9	Very high	28 Å²	28	24.8 Å²	24.8	23%	0.231	14%	0.137	C	C	.	.			trans	-46.5	21.6	164.1	0	0	0	0	0	118.5	V392 R396 R487	V392-A491 HydrophobicContact CG1-CB 4.47Å; V392-A491 WeakPolarHBondContact CG1-O 3.39Å; R396-A491 WeakPolarHBondContact CD-O 3.06Å; R396-A491 PolarHBondContact NH1-O 2.81Å; R487-A491 PolarHBondContact NH1-O 3.25Å
492	Y	97.8	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.			trans	-66.5	156.2	-172.2	70.5	-106	0	0	0	116.7	R396 I483 F486 R487 L490 L495 I588 A591 T592	R396-Y492 PolarHBondContact NH1-O 2.97Å; I483-Y492 WeakPolarHBondContact CG2-OH 3.49Å; I483-Y492 PolarHBondContact O-OH 2.73Å; F486-Y492 HydrophobicContact CD1-CD1 4.22Å; F486-Y492 AromaticContact CD1-CE1 3.97Å; F486-Y492 HydrophobicContact CD1-CE1 3.97Å; R487-Y492 HydrophobicContact CB-CE1 3.91Å; R487-Y492 PolarHBondContact NH1-O 3.22Å; R487-Y492 PolarHBondContact NH2-O 2.67Å; L490-Y492 HydrophobicContact CB-CD1 4.45Å; L490-Y492 WeakPolarHBondContact O-CD1 3.35Å; L490-Y492 PolarHBondContact O-N 2.98Å; Y492-L495 HydrophobicContact CD1-CD2 4.33Å; Y492-L495 HydrophobicContact CD2-CD2 4.18Å; Y492-L495 HydrophobicContact CD2-CG 4.43Å; Y492-L495 HydrophobicContact CE2-CD2 4.4Å; Y492-L495 HydrophobicContact CE2-CG 4.38Å; Y492-L495 HydrophobicContact CG-CD2 4.18Å; Y492-I588 HydrophobicContact CD2-CG2 4.47Å; Y492-I588 HydrophobicContact CE2-CG2 3.98Å; Y492-A591 HydrophobicContact CE2-CB 4.33Å; Y492-A591 VanDerWaalsContact OH-CB 3.26Å; Y492-A591 WeakPolarHBondContact OH-CB 3.26Å; Y492-T592 HydrophobicContact CD2-CG2 4.35Å; Y492-T592 HydrophobicContact CE2-CG2 4.18Å
493	D	97.9	Very high	97.2	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	11%	0.112	C	C	.	.	S	Bend	trans	-115.4	-16	174.8	-68.1	-74.4	0	0	0	113.5	W331 R396 R402 W403 S596	W331-D493 HydrophobicContact CH2-CB 4.04Å; W331-D493 HydrophobicContact CZ2-CB 4Å; R396-D493 IonicContact CZ-OD1 2.88Å; R396-D493 IonicContact CZ-OD2 2.7Å; R396-D493 VanDerWaalsContact CZ-OD2 3.27Å; R396-D493 IonicContact NE-OD2 3.2Å; R396-D493 IonicContact NH1-OD1 3.65Å; R396-D493 PolarHBondContact NH1-OD1 3.01Å; R396-D493 IonicContact NH1-OD2 3.94Å; R396-D493 PolarHBondContact NH1-OD2 3.18Å; R396-D493 IonicContact NH2-OD1 2.87Å; R396-D493 PolarHBondContact NH2-OD1 2.88Å; R396-D493 IonicContact NH2-OD2 3.65Å; R402-D493 VanDerWaalsContact CA-OD2 3.27Å; R402-D493 WeakPolarHBondContact CA-OD2 3.46Å; R402-D493 HydrophobicContact CB-CB 4.12Å; R402-D493 WeakPolarHBondContact CD-OD1 3.39Å; R402-D493 WeakPolarHBondContact CD-OD2 3.4Å; R402-D493 IonicContact CZ-OD1 3.44Å; R402-D493 IonicContact NH1-OD1 3.03Å; R402-D493 PolarHBondContact NH1-OD1 2.89Å; W403-D493 PolarHBondContact N-OD2 2.61Å; W403-D493 PolarHBondContact O-N 2.86Å; D493-S596 PolarHBondContact O-OG 3.28Å
494	G	98.3	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	172.9	175.1	0	0	0	0	0	110.3	W403 V404 F405 F597	W403-G494 PolarHBondContact O-N 3.03Å; V404-G494 WeakPolarHBondContact CA-O 3.22Å; F405-G494 PolarHBondContact N-O 2.84Å; G494-F597 CarbonylContact C-O 3.57Å; G494-F597 WeakPolarHBondContact CA-O 3.4Å
495	L	98.6	Very high	97.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.6	174	-61.2	176.3	0	0	0	110.9	F405 V407 I483 Y492 T584 I588 F597 L598 L599	F405-L495 HydrophobicContact CB-CD2 4.4Å; F405-L495 WeakPolarHBondContact O-CA 3.14Å; V407-L495 HydrophobicContact CG1-CD2 4.48Å; V407-L495 HydrophobicContact CG2-CB 4.24Å; V407-L495 HydrophobicContact CG2-CD1 4.04Å; I483-L495 HydrophobicContact CD1-CD1 4.13Å; I483-L495 HydrophobicContact CG1-CD1 4.06Å; I483-L495 HydrophobicContact CG2-CD1 3.93Å; Y492-L495 HydrophobicContact CD1-CD2 4.33Å; Y492-L495 HydrophobicContact CD2-CD2 4.18Å; Y492-L495 HydrophobicContact CD2-CG 4.43Å; Y492-L495 HydrophobicContact CE2-CD2 4.4Å; Y492-L495 HydrophobicContact CE2-CG 4.38Å; Y492-L495 HydrophobicContact CG-CD2 4.18Å; L495-T584 HydrophobicContact CD1-CG2 4.46Å; L495-I588 HydrophobicContact CB-CD1 3.68Å; L495-I588 HydrophobicContact CB-CG1 4.27Å; L495-I588 HydrophobicContact CD1-CD1 3.88Å; L495-I588 HydrophobicContact CD1-CG1 3.57Å; L495-I588 HydrophobicContact CG-CD1 3.83Å; L495-I588 HydrophobicContact CG-CG1 3.84Å; L495-F597 PolarHBondContact N-O 3.31Å; L495-F597 VanDerWaalsContact N-O 3.08Å; L495-L598 HydrophobicContact CB-CD1 4.48Å; L495-L598 WeakPolarHBondContact O-CA 3.48Å; L495-L599 PolarHBondContact O-N 3.44Å
496	W	98.3	Very high	97.2	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.5	173.7	164.5	25.3	0	0	0	107.1	Y366 D368 V404 F405 I406 V407 D498 L599 W614 H675	Y366-W496 HydrophobicContact CD1-CE3 4.14Å; Y366-W496 HydrophobicContact CE1-CB 4.37Å; Y366-W496 HydrophobicContact CE1-CE3 4.48Å; D368-W496 WeakPolarHBondContact OD2-CH2 3.43Å; D368-W496 WeakPolarHBondContact OD2-CZ3 2.96Å; V404-W496 HydrophobicContact CG1-CB 4.06Å; F405-W496 PolarHBondContact O-N 2.84Å; I406-W496 CarbonylContact C-O 3.59Å; I406-W496 VanDerWaalsContact CA-O 3.25Å; I406-W496 WeakPolarHBondContact CA-O 3.28Å; I406-W496 HydrophobicContact CB-CD2 4.02Å; I406-W496 HydrophobicContact CB-CE3 3.59Å; I406-W496 HydrophobicContact CB-CZ3 4.01Å; I406-W496 HydrophobicContact CD1-CD2 4.05Å; I406-W496 HydrophobicContact CD1-CE3 3.93Å; I406-W496 HydrophobicContact CD1-CH2 3.66Å; I406-W496 HydrophobicContact CD1-CZ2 3.79Å; I406-W496 HydrophobicContact CD1-CZ3 3.72Å; I406-W496 HydrophobicContact CG1-CD2 4.12Å; I406-W496 HydrophobicContact CG1-CE3 4.07Å; I406-W496 HydrophobicContact CG1-CZ3 4.34Å; V407-W496 PolarHBondContact N-O 2.96Å; W496-D498 HydrophobicContact CZ2-CB 4.07Å; W496-D498 WeakPolarHBondContact CZ2-OD2 3.33Å; W496-L599 CarbonylContact C-O 3.59Å; W496-L599 WeakPolarHBondContact CA-O 3.04Å; W496-L599 HydrophobicContact CB-CB 4.32Å; W496-L599 HydrophobicContact CG-CB 4.47Å; W496-L599 HydrophobicContact CG-CD2 4.09Å; W496-W614 AromaticContact CD1-CH2 3.61Å; W496-W614 AromaticContact CD1-CZ3 3.41Å; W496-W614 VanDerWaalsContact CD1-CZ3 3.41Å; W496-W614 AromaticContact CE2-CH2 3.62Å; W496-W614 AromaticContact CE2-CZ2 3.74Å; W496-W614 AromaticContact CZ2-CH2 3.97Å; W496-W614 HydrophobicContact CZ2-CH2 3.97Å; W496-W614 AromaticContact CZ2-CZ2 3.61Å; W496-W614 HydrophobicContact CZ2-CZ2 3.61Å; W496-W614 AromaticContact NE1-CE3 3.88Å; W496-W614 AromaticContact NE1-CH2 2.73Å; W496-W614 AromaticContact NE1-CZ2 3.32Å; W496-W614 VanDerWaalsContact NE1-CZ2 3.32Å; W496-W614 AromaticContact NE1-CZ3 3Å; W496-H675 AromaticContact CH2-NE2 3.68Å
497	I	98.4	Very high	97.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.2	174.2	53.6	-178.5	0	0	0	109.7	V407 N500 E580 T584 L598 L599 R601	V407-I497 HydrophobicContact CG2-CG2 3.92Å; V407-I497 WeakPolarHBondContact O-CA 3.36Å; I497-N500 WeakPolarHBondContact CD1-ND2 3.48Å; I497-E580 HydrophobicContact CD1-CB 4.42Å; I497-E580 HydrophobicContact CD1-CG 3.9Å; I497-E580 HydrophobicContact CG2-CG 4.38Å; I497-T584 HydrophobicContact CG2-CG2 3.95Å; I497-L598 HydrophobicContact CD1-CD1 4.23Å; I497-L598 HydrophobicContact CD1-CD2 4.38Å; I497-L598 HydrophobicContact CG1-CD1 4.07Å; I497-L598 HydrophobicContact CG2-CD1 4.26Å; I497-L599 WeakPolarHBondContact CG1-O 3.13Å; I497-L599 PolarHBondContact N-O 2.99Å; I497-R601 PolarHBondContact O-N 3.4Å
498	D	98	Very high	97.2	Very high	12 Å²	12	12.4 Å²	12.4	6%	0.064	8%	0.08	C	C	.	.			trans	-118.2	172.4	-179.8	-161	5.8	0	0	0	110.6	I406 D408 P409 W496 N500 R601 W614	I406-D498 HydrophobicContact CD1-CB 3.5Å; I406-D498 HydrophobicContact CG1-CB 4.07Å; D408-D498 WeakPolarHBondContact OD1-CB 3.44Å; P409-D498 WeakPolarHBondContact CD-O 3.3Å; W496-D498 HydrophobicContact CZ2-CB 4.07Å; W496-D498 WeakPolarHBondContact CZ2-OD2 3.33Å; D498-N500 PolarHBondContact O-N 3.22Å; D498-R601 WeakPolarHBondContact OD1-CD 3.17Å; D498-R601 IonicContact OD1-CZ 3.89Å; D498-R601 IonicContact OD1-NE 3.04Å; D498-R601 PolarHBondContact OD1-NE 2.73Å; D498-R601 IonicContact OD1-NH1 2.66Å; D498-R601 PolarHBondContact OD1-NH1 3.46Å; D498-R601 IonicContact OD1-NH2 3.78Å; D498-R601 IonicContact OD2-NH1 3.44Å; D498-W614 HydrophobicContact CB-CH2 4.22Å
499	M	98	Very high	97.2	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	6%	0.058	C	C	.	.	S	Bend	trans	58.3	18	177.3	-54.1	-55.1	-77.8	0	0	114.6	V459 E501 P502 A503 F505 R601	V459-M499 HydrophobicContact CG1-CE 3.45Å; V459-M499 VanDerWaalsContact CG1-CE 3.45Å; V459-M499 HydrophobicContact CG1-CG 4.24Å; M499-E501 PolarHBondContact O-N 3.01Å; M499-P502 WeakPolarHBondContact O-CA 3.33Å; M499-A503 HydrophobicContact CB-CB 4.13Å; M499-A503 HydrophobicContact CE-CB 3.36Å; M499-A503 PolarHBondContact O-N 3.14Å; M499-A503 HydrophobicContact SD-CB 4.1Å; M499-F505 HydrophobicContact CE-CD1 4.47Å; M499-F505 HydrophobicContact CE-CE1 3.45Å; M499-F505 VanDerWaalsContact CE-CE1 3.45Å; M499-F505 HydrophobicContact CE-CZ 3.87Å; M499-R601 PolarHBondContact SD-NH1 3.15Å; M499-R601 PolarHBondContact SD-NH2 3.47Å; M499-R601 VanDerWaalsContact SD-NH2 3.41Å
500	N	97.9	Very high	97.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	14.7	-171.6	68.7	-15.4	0	0	0	115	P409 I497 D498 P502 Y576 G577 E580 S600 S602	P409-N500 HydrophobicContact CG-CB 4Å; I497-N500 WeakPolarHBondContact CD1-ND2 3.48Å; D498-N500 PolarHBondContact O-N 3.22Å; N500-P502 WeakPolarHBondContact O-CD 3.4Å; N500-Y576 HydrophobicContact CB-CD1 4.24Å; N500-Y576 HydrophobicContact CB-CE1 4.37Å; N500-Y576 VanDerWaalsContact O-CD1 3.28Å; N500-Y576 WeakPolarHBondContact O-CD1 3.4Å; N500-G577 PolarHBondContact O-N 2.96Å; N500-E580 WeakPolarHBondContact CB-OE2 3.44Å; N500-E580 PolarHBondContact ND2-OE2 3.06Å; N500-S600 PolarHBondContact ND2-OG 3.07Å; N500-S602 WeakPolarHBondContact O-CB 3.28Å; N500-S602 VanDerWaalsContact OD1-CB 3.23Å; N500-S602 WeakPolarHBondContact OD1-CB 3.21Å; N500-S602 PolarHBondContact OD1-N 2.97Å
501	E	97.4	Very high	97	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	42.3	153	-54.5	76.4	-160.1	0	0	111.5	Y256 M499 A503 H573 R601 S602	Y256-E501 WeakPolarHBondContact CB-OE1 3.37Å; Y256-E501 WeakPolarHBondContact O-CG 3.46Å; M499-E501 PolarHBondContact O-N 3.01Å; E501-A503 PolarHBondContact O-N 2.83Å; E501-H573 PolarHBondContact O-CE1 3.03Å; E501-R601 VanDerWaalsContact OE1-C 3.24Å; E501-R601 VanDerWaalsContact OE1-CB 3.28Å; E501-R601 WeakPolarHBondContact OE1-CB 3.37Å; E501-R601 WeakPolarHBondContact OE1-CG 3.45Å; E501-R601 IonicContact OE1-NE 2.75Å; E501-R601 IonicContact OE2-CZ 2.72Å; E501-R601 IonicContact OE2-NE 3.54Å; E501-R601 PolarHBondContact OE2-NE 3.39Å; E501-R601 IonicContact OE2-NH2 3.89Å; E501-R601 PolarHBondContact OE2-NH2 2.99Å; E501-S602 WeakPolarHBondContact OE1-CA 3.49Å; E501-S602 WeakPolarHBondContact OE1-CB 3.34Å; E501-S602 PolarHBondContact OE1-N 3.48Å
502	P	97.7	Very high	96.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-7.3	80.9	-134.8	18.8	-34.3	0	0	0	113.4	F467 M499 N500 N504 T554 L555 H569 Y576	F467-P502 HydrophobicContact CD1-CB 3.88Å; F467-P502 HydrophobicContact CE1-CB 3.96Å; M499-P502 WeakPolarHBondContact O-CA 3.33Å; N500-P502 WeakPolarHBondContact O-CD 3.4Å; P502-N504 PolarHBondContact O-N 2.92Å; P502-T554 WeakPolarHBondContact O-CA 3.32Å; P502-T554 WeakPolarHBondContact O-CB 3.17Å; P502-T554 PolarHBondContact O-OG1 2.93Å; P502-L555 HydrophobicContact CB-CD1 4.34Å; P502-H569 WeakPolarHBondContact CG-CE1 3.49Å; P502-Y576 HydrophobicContact CB-CD1 4.32Å; P502-Y576 HydrophobicContact CB-CD2 4.45Å; P502-Y576 HydrophobicContact CB-CE1 4.33Å; P502-Y576 HydrophobicContact CB-CE2 4.48Å; P502-Y576 HydrophobicContact CB-CG 4.35Å; P502-Y576 VanDerWaalsContact CD-CB 3.44Å; P502-Y576 VanDerWaalsContact CD-CG 3.48Å; P502-Y576 HydrophobicContact CG-CD1 4.22Å; P502-Y576 HydrophobicContact CG-CD2 4.05Å; P502-Y576 HydrophobicContact CG-CG 3.85Å
503	A	98.1	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.			trans	-67	126.1	-175.3	0	0	0	0	0	110.1	D242 V459 F467 M499 E501	D242-A503 HydrophobicContact CB-CB 3.59Å; V459-A503 VanDerWaalsContact CG2-O 3.26Å; V459-A503 WeakPolarHBondContact CG2-O 3.46Å; F467-A503 VanDerWaalsContact CZ-O 3.31Å; F467-A503 WeakPolarHBondContact CZ-O 3.45Å; M499-A503 HydrophobicContact CB-CB 4.13Å; M499-A503 HydrophobicContact CE-CB 3.36Å; M499-A503 PolarHBondContact O-N 3.14Å; M499-A503 HydrophobicContact SD-CB 4.1Å; E501-A503 PolarHBondContact O-N 2.83Å
504	N	98.1	Very high	96.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.129	C	C	.	.			trans	-129.1	129.4	178	-174.5	84	0	0	0	110.8	G457 T458 P502 T507 K553 L555	G457-N504 WeakPolarHBondContact CA-OD1 3.41Å; T458-N504 PolarHBondContact N-OD1 2.92Å; T458-N504 PolarHBondContact O-OD1 2.77Å; P502-N504 PolarHBondContact O-N 2.92Å; N504-T507 PolarHBondContact ND2-OG1 2.84Å; N504-K553 PolarHBondContact N-O 3.45Å; N504-K553 CarbonylContact O-C 3.47Å; N504-K553 VanDerWaalsContact O-C 3.31Å; N504-K553 VanDerWaalsContact O-CA 3.27Å; N504-K553 WeakPolarHBondContact O-CA 3.17Å; N504-L555 HydrophobicContact CB-CD2 4.43Å
505	F	97.2	Very high	96.2	Very high	10 Å²	10	27.6 Å²	27.6	4%	0.044	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	135.8	-178.6	-59	-17	0	0	0	111.5	T458 V459 W460 M499 T507 W513 Y514 L520	T458-F505 WeakPolarHBondContact O-CB 3.21Å; T458-F505 PolarHBondContact O-N 3.02Å; V459-F505 VanDerWaalsContact CA-CD2 3.49Å; V459-F505 HydrophobicContact CB-CE2 4.46Å; V459-F505 HydrophobicContact CG1-CD1 4.5Å; V459-F505 HydrophobicContact CG1-CE1 3.97Å; V459-F505 HydrophobicContact CG1-CE2 4.12Å; V459-F505 HydrophobicContact CG1-CZ 3.74Å; V459-F505 WeakPolarHBondContact O-CE2 3.47Å; W460-F505 HydrophobicContact CD2-CE2 4.22Å; W460-F505 AromaticContact CD2-CZ 3.96Å; W460-F505 HydrophobicContact CD2-CZ 3.96Å; W460-F505 AromaticContact CE2-CZ 3.87Å; W460-F505 HydrophobicContact CE3-CE2 4.23Å; W460-F505 HydrophobicContact CE3-CZ 4.29Å; W460-F505 HydrophobicContact CG-CZ 4.41Å; W460-F505 HydrophobicContact CH2-CZ 4.44Å; W460-F505 HydrophobicContact CZ2-CZ 4.13Å; M499-F505 HydrophobicContact CE-CD1 4.47Å; M499-F505 HydrophobicContact CE-CE1 3.45Å; M499-F505 VanDerWaalsContact CE-CE1 3.45Å; M499-F505 HydrophobicContact CE-CZ 3.87Å; F505-T507 VanDerWaalsContact C-N 3.3Å; F505-T507 PolarHBondContact O-N 2.98Å; F505-W513 HydrophobicContact CB-CZ2 4.12Å; F505-W513 HydrophobicContact CD1-CZ2 4.03Å; F505-W513 HydrophobicContact CD2-CH2 4.49Å; F505-W513 AromaticContact CD2-CZ2 3.94Å; F505-W513 HydrophobicContact CD2-CZ2 3.94Å; F505-W513 HydrophobicContact CE1-CZ2 4.41Å; F505-W513 HydrophobicContact CE2-CZ2 4.34Å; F505-W513 AromaticContact CG-CZ2 3.79Å; F505-W513 HydrophobicContact CG-CZ2 3.79Å; F505-Y514 HydrophobicContact CB-CD1 3.62Å; F505-Y514 HydrophobicContact CB-CE1 3.65Å; F505-L520 HydrophobicContact CD2-CD1 4.44Å
506	G	95.9	Very high	95.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	16.8	167	0	0	0	0	0	116	N508 E509 A525	G506-N508 PolarHBondContact O-N 3.21Å; G506-E509 WeakPolarHBondContact O-CB 3.37Å; G506-E509 PolarHBondContact O-N 2.99Å; G506-A525 VanDerWaalsContact O-CB 3.29Å; G506-A525 WeakPolarHBondContact O-CB 3.34Å
507	T	97.2	Very high	95.3	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	124.5	-177.8	-46.2	0	0	0	0	111.4	N504 F505 E509 L526 S551 T554	N504-T507 PolarHBondContact ND2-OG1 2.84Å; F505-T507 VanDerWaalsContact C-N 3.3Å; F505-T507 PolarHBondContact O-N 2.98Å; T507-E509 PolarHBondContact O-N 3.06Å; T507-L526 WeakPolarHBondContact CA-O 3.33Å; T507-L526 HydrophobicContact CG2-CB 4.31Å; T507-L526 HydrophobicContact CG2-CD2 4.2Å; T507-L526 HydrophobicContact CG2-CG 4.17Å; T507-S551 VanDerWaalsContact CB-O 3.28Å; T507-S551 WeakPolarHBondContact CB-O 3.48Å; T507-S551 VanDerWaalsContact CG2-O 3.26Å; T507-S551 WeakPolarHBondContact CG2-O 3.43Å; T507-T554 WeakPolarHBondContact CB-O 3.41Å; T507-T554 VanDerWaalsContact CG2-O 3.27Å; T507-T554 WeakPolarHBondContact CG2-O 3.47Å; T507-T554 PolarHBondContact OG1-O 3.3Å
508	N	95.7	Very high	94.9	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	14.5	-176.2	-48.4	-62.6	0	0	0	115.7	G506 L526 C528 R549 S551	G506-N508 PolarHBondContact O-N 3.21Å; N508-L526 PolarHBondContact N-O 3.33Å; N508-C528 WeakPolarHBondContact OD1-CB 3.42Å; N508-C528 PolarHBondContact OD1-N 3.49Å; N508-R549 PolarHBondContact OD1-NH1 3.26Å; N508-S551 PolarHBondContact ND2-OG 3.16Å; N508-S551 VanDerWaalsContact ND2-OG 3.08Å
509	E	94.9	Very high	94.5	Very high	63 Å²	63	44.6 Å²	44.6	29%	0.294	24%	0.239	S	C	.	.			trans	-92.2	141	174.9	-64.7	173.4	-155.6	0	0	111.3	G506 T507 P512 W513 A525	G506-E509 WeakPolarHBondContact O-CB 3.37Å; G506-E509 PolarHBondContact O-N 2.99Å; T507-E509 PolarHBondContact O-N 3.06Å; E509-P512 HydrophobicContact CB-CB 4.43Å; E509-W513 PolarHBondContact OE2-N 2.93Å; E509-A525 VanDerWaalsContact O-CB 3.29Å; E509-A525 WeakPolarHBondContact O-CB 3.26Å
510	D	92.2	Very high	94.3	Very high	155 Å²	155	44.8 Å²	44.8	83%	0.829	24%	0.24	S	C	*	.	S	Bend	trans	-142.3	105.2	175.1	-174.5	14.2	0	0	0	110.6
511	P	92.7	Very high	93.9	Very high	90 Å²	90	50 Å²	50	58%	0.584	26%	0.263	S	S	*	.	S	Bend	cis	-73	157.8	-7.7	33.1	-35.3	0	0	0	111.8
512	P	94.4	Very high	93.5	Very high	15 Å²	15	56.1 Å²	56.1	10%	0.097	30%	0.296	C	S	.	.			trans	-65.6	148	171.1	27.2	-33.6	0	0	0	111.9	E509 Y514 S515 A525	E509-P512 HydrophobicContact CB-CB 4.43Å; P512-Y514 HydrophobicContact CB-CD1 3.88Å; P512-Y514 HydrophobicContact CB-CD2 4.36Å; P512-Y514 HydrophobicContact CB-CE1 3.47Å; P512-Y514 VanDerWaalsContact CB-CE1 3.47Å; P512-Y514 HydrophobicContact CB-CE2 3.97Å; P512-Y514 HydrophobicContact CB-CG 4.32Å; P512-Y514 HydrophobicContact CG-CD2 4.19Å; P512-Y514 HydrophobicContact CG-CE1 4.08Å; P512-Y514 HydrophobicContact CG-CE2 3.63Å; P512-Y514 PolarHBondContact O-N 3.26Å; P512-S515 WeakPolarHBondContact O-CB 3.49Å; P512-S515 PolarHBondContact O-N 3.06Å; P512-S515 PolarHBondContact O-OG 3.04Å; P512-A525 HydrophobicContact CB-CB 4.14Å; P512-A525 HydrophobicContact CG-CB 4.19Å
513	W	92.6	Very high	93.3	Very high	146 Å²	146	56.6 Å²	56.6	55%	0.553	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55	-29.9	-178.2	69	-98.2	0	0	0	114.4	F505 E509 S515	F505-W513 HydrophobicContact CB-CZ2 4.12Å; F505-W513 HydrophobicContact CD1-CZ2 4.03Å; F505-W513 HydrophobicContact CD2-CH2 4.49Å; F505-W513 AromaticContact CD2-CZ2 3.94Å; F505-W513 HydrophobicContact CD2-CZ2 3.94Å; F505-W513 HydrophobicContact CE1-CZ2 4.41Å; F505-W513 HydrophobicContact CE2-CZ2 4.34Å; F505-W513 AromaticContact CG-CZ2 3.79Å; F505-W513 HydrophobicContact CG-CZ2 3.79Å; E509-W513 PolarHBondContact OE2-N 2.93Å; W513-S515 PolarHBondContact O-N 2.59Å
514	Y	93.2	Very high	93	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.012	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-79.2	7	178	60.3	-103.6	0	0	0	113.7	T458 F505 P512 N516 D517 L520 I523	T458-Y514 HydrophobicContact CG2-CE1 4Å; T458-Y514 HydrophobicContact CG2-CE2 4.16Å; T458-Y514 PolarHBondContact OG1-OH 2.89Å; F505-Y514 HydrophobicContact CB-CD1 3.62Å; F505-Y514 HydrophobicContact CB-CE1 3.65Å; P512-Y514 HydrophobicContact CB-CD1 3.88Å; P512-Y514 HydrophobicContact CB-CD2 4.36Å; P512-Y514 HydrophobicContact CB-CE1 3.47Å; P512-Y514 VanDerWaalsContact CB-CE1 3.47Å; P512-Y514 HydrophobicContact CB-CE2 3.97Å; P512-Y514 HydrophobicContact CB-CG 4.32Å; P512-Y514 HydrophobicContact CG-CD2 4.19Å; P512-Y514 HydrophobicContact CG-CE1 4.08Å; P512-Y514 HydrophobicContact CG-CE2 3.63Å; P512-Y514 PolarHBondContact O-N 3.26Å; Y514-N516 PolarHBondContact O-N 3.05Å; Y514-D517 WeakPolarHBondContact O-CB 3.37Å; Y514-D517 PolarHBondContact O-N 3.14Å; Y514-L520 HydrophobicContact CD2-CB 3.67Å; Y514-L520 HydrophobicContact CE2-CB 4.31Å; Y514-L520 HydrophobicContact CG-CB 4.29Å; Y514-L520 HydrophobicContact CG-CD1 4.39Å; Y514-I523 HydrophobicContact CE2-CB 4.41Å; Y514-I523 WeakPolarHBondContact CE2-O 3.16Å; Y514-I523 PolarHBondContact OH-O 3.14Å
515	S	92.8	Very high	92.8	Very high	40 Å²	40	60.4 Å²	60.4	28%	0.28	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59.4	-16.2	-178.2	65.2	0	0	0	0	114.5	P512 W513 K521	P512-S515 WeakPolarHBondContact O-CB 3.49Å; P512-S515 PolarHBondContact O-N 3.06Å; P512-S515 PolarHBondContact O-OG 3.04Å; W513-S515 PolarHBondContact O-N 2.59Å; S515-K521 WeakPolarHBondContact O-CB 3.24Å
516	N	89	Confident	92.8	Very high	148 Å²	148	60.3 Å²	60.3	79%	0.791	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-94.2	-10.5	176	-64.7	-34.6	0	0	0	113.6	Y514 P518	Y514-N516 PolarHBondContact O-N 3.05Å; N516-P518 WeakPolarHBondContact O-CD 3.37Å
517	D	89.9	Confident	92.8	Very high	57 Å²	57	64.9 Å²	64.9	31%	0.305	35%	0.348	S	S	.	.			trans	-71.2	119.3	177.6	-174	-40.8	0	0	0	109.3	Y514 N519 L520 K521	Y514-D517 WeakPolarHBondContact O-CB 3.37Å; Y514-D517 PolarHBondContact O-N 3.14Å; D517-N519 PolarHBondContact O-N 3.31Å; D517-N519 VanDerWaalsContact O-N 3.07Å; D517-N519 WeakPolarHBondContact OD1-CA 3.09Å; D517-N519 WeakPolarHBondContact OD1-CB 3.5Å; D517-N519 PolarHBondContact OD1-N 2.59Å; D517-N519 PolarHBondContact OD1-ND2 2.71Å; D517-L520 HydrophobicContact CB-CB 4.12Å; D517-L520 HydrophobicContact CB-CG 4.44Å; D517-L520 PolarHBondContact O-N 3.04Å; D517-L520 VanDerWaalsContact O-N 3.09Å; D517-K521 WeakPolarHBondContact O-CA 3.17Å; D517-K521 WeakPolarHBondContact O-CB 3.34Å; D517-K521 WeakPolarHBondContact O-CG 3.48Å; D517-K521 PolarHBondContact O-N 3.4Å
518	P	89.8	Confident	92.8	Very high	95 Å²	95	65 Å²	65	62%	0.617	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23	-178.3	25.4	-34.9	0	0	0	114.2	N516	N516-P518 WeakPolarHBondContact O-CD 3.37Å
519	N	90.6	Very high	92.8	Very high	73 Å²	73	65.5 Å²	65.5	39%	0.39	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-22.3	179.4	-53.4	-55	0	0	0	113.1	Y462 D517	Y462-N519 HydrophobicContact CD1-CB 3.79Å; Y462-N519 HydrophobicContact CD2-CB 4.15Å; Y462-N519 HydrophobicContact CE1-CB 3.91Å; Y462-N519 HydrophobicContact CE2-CB 4.26Å; Y462-N519 HydrophobicContact CG-CB 3.93Å; D517-N519 PolarHBondContact O-N 3.31Å; D517-N519 VanDerWaalsContact O-N 3.07Å; D517-N519 WeakPolarHBondContact OD1-CA 3.09Å; D517-N519 WeakPolarHBondContact OD1-CB 3.5Å; D517-N519 PolarHBondContact OD1-N 2.59Å; D517-N519 PolarHBondContact OD1-ND2 2.71Å
520	L	92.7	Very high	92.8	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.026	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-12.9	-175.5	-54.4	178.6	0	0	0	114.7	T458 F505 Y514 D517 D522 I523	T458-L520 HydrophobicContact CG2-CD2 4.5Å; F505-L520 HydrophobicContact CD2-CD1 4.44Å; Y514-L520 HydrophobicContact CD2-CB 3.67Å; Y514-L520 HydrophobicContact CE2-CB 4.31Å; Y514-L520 HydrophobicContact CG-CB 4.29Å; Y514-L520 HydrophobicContact CG-CD1 4.39Å; D517-L520 HydrophobicContact CB-CB 4.12Å; D517-L520 HydrophobicContact CB-CG 4.44Å; D517-L520 PolarHBondContact O-N 3.04Å; D517-L520 VanDerWaalsContact O-N 3.09Å; L520-D522 PolarHBondContact O-N 3.27Å; L520-I523 HydrophobicContact CB-CD1 4.2Å; L520-I523 HydrophobicContact CD2-CD1 3.62Å; L520-I523 VanDerWaalsContact O-CB 3.31Å; L520-I523 WeakPolarHBondContact O-CB 3.37Å; L520-I523 WeakPolarHBondContact O-CG1 3.24Å; L520-I523 PolarHBondContact O-N 3.1Å
521	K	90.5	Very high	92.9	Very high	111 Å²	111	65.6 Å²	65.6	48%	0.483	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.1	-173.6	60.9	176.7	-176.6	-179	0	115.7	S515 D517 I523	S515-K521 WeakPolarHBondContact O-CB 3.24Å; D517-K521 WeakPolarHBondContact O-CA 3.17Å; D517-K521 WeakPolarHBondContact O-CB 3.34Å; D517-K521 WeakPolarHBondContact O-CG 3.48Å; D517-K521 PolarHBondContact O-N 3.4Å; K521-I523 VanDerWaalsContact C-N 3.32Å
522	D	89.2	Confident	93.1	Very high	129 Å²	129	65.3 Å²	65.3	69%	0.69	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	5.3	-176.4	-62.4	-47.8	0	0	0	112.4	L520	L520-D522 PolarHBondContact O-N 3.27Å
523	I	91.6	Very high	93.2	Very high	9 Å²	9	67 Å²	67	5%	0.046	34%	0.342	C	S	.	.	S	Bend	trans	-98.5	118.4	-178.8	-54.6	171.6	0	0	0	109.5	T458 N463 N464 Y514 L520 K521	T458-I523 HydrophobicContact CG2-CD1 4.25Å; T458-I523 HydrophobicContact CG2-CG2 4.13Å; T458-I523 WeakPolarHBondContact OG1-CG2 3.42Å; N463-I523 VanDerWaalsContact CA-CD1 3.47Å; N464-I523 VanDerWaalsContact ND2-CG2 3.31Å; N464-I523 WeakPolarHBondContact ND2-CG2 3.37Å; Y514-I523 HydrophobicContact CE2-CB 4.41Å; Y514-I523 WeakPolarHBondContact CE2-O 3.16Å; Y514-I523 PolarHBondContact OH-O 3.14Å; L520-I523 HydrophobicContact CB-CD1 4.2Å; L520-I523 HydrophobicContact CD2-CD1 3.62Å; L520-I523 VanDerWaalsContact O-CB 3.31Å; L520-I523 WeakPolarHBondContact O-CB 3.37Å; L520-I523 WeakPolarHBondContact O-CG1 3.24Å; L520-I523 PolarHBondContact O-N 3.1Å; K521-I523 VanDerWaalsContact C-N 3.32Å
524	P	92	Very high	93.3	Very high	69 Å²	69	60 Å²	60	45%	0.448	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-67.3	147.9	175.6	30	-35	0	0	0	111.1	L442	L442-P524 HydrophobicContact CD1-CG 4.14Å; L442-P524 HydrophobicContact CD2-CG 4.02Å
525	A	94.9	Very high	93.4	Very high	12 Å²	12	62.2 Å²	62.2	10%	0.099	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-61.8	147	172.4	0	0	0	0	0	112.3	G506 E509 P512 N527	G506-A525 VanDerWaalsContact O-CB 3.29Å; G506-A525 WeakPolarHBondContact O-CB 3.34Å; E509-A525 VanDerWaalsContact O-CB 3.29Å; E509-A525 WeakPolarHBondContact O-CB 3.26Å; P512-A525 HydrophobicContact CB-CB 4.14Å; P512-A525 HydrophobicContact CG-CB 4.19Å; A525-N527 PolarHBondContact O-N 2.88Å; A525-N527 PolarHBondContact O-ND2 3.45Å
526	L	97.2	Very high	93.6	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.047	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.9	117.2	164.9	175.4	60.1	0	0	0	108.9	W433 M455 T507 N508 L555	W433-L526 HydrophobicContact CH2-CD1 3.82Å; W433-L526 HydrophobicContact CZ2-CD1 3.62Å; M455-L526 HydrophobicContact CG-CD1 4.36Å; M455-L526 HydrophobicContact CG-CD2 4.49Å; M455-L526 HydrophobicContact SD-CD2 4.3Å; T507-L526 WeakPolarHBondContact CA-O 3.33Å; T507-L526 HydrophobicContact CG2-CB 4.31Å; T507-L526 HydrophobicContact CG2-CD2 4.2Å; T507-L526 HydrophobicContact CG2-CG 4.17Å; N508-L526 PolarHBondContact N-O 3.33Å; L526-L555 HydrophobicContact CD2-CD2 4.03Å
527	N	96.2	Very high	93.8	Very high	95 Å²	95	56.7 Å²	56.7	51%	0.508	30%	0.299	S	S	.	.			trans	-110.3	105.3	-178.2	-81.5	-77.4	0	0	0	110.6	A525	A525-N527 PolarHBondContact O-N 2.88Å; A525-N527 PolarHBondContact O-ND2 3.45Å
528	C	97.2	Very high	94.1	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.041	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-81.3	127.6	-179.1	-55.9	0	0	0	0	110.4	N508 D534 R549 C556	N508-C528 WeakPolarHBondContact OD1-CB 3.42Å; N508-C528 PolarHBondContact OD1-N 3.49Å; C528-D534 WeakPolarHBondContact CB-OD1 3.17Å; C528-R549 VanDerWaalsContact O-CZ 3.23Å; C528-R549 PolarHBondContact O-NH1 2.83Å; C528-R549 PolarHBondContact O-NH2 2.97Å; C528-C556 WeakPolarHBondContact CA-SG 3.38Å; C528-C556 HydrophobicContact CB-CB 3.71Å; C528-C556 WeakPolarHBondContact CB-SG 3.38Å; C528-C556 WeakPolarHBondContact SG-CA 3.24Å; C528-C556 WeakPolarHBondContact SG-CB 3.4Å; C528-C556 CovalentContact SG-SG 2.04Å; C528-C556 PolarHBondContact SG-SG 3.25Å
529	P	95.8	Very high	94.1	Very high	45 Å²	45	50.1 Å²	50.1	29%	0.292	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-58.6	152.5	173.9	-25.1	34.2	0	0	0	112.9	F438 N531 R549 F558	F438-P529 HydrophobicContact CD1-CG 3.94Å; F438-P529 HydrophobicContact CE1-CG 4.44Å; P529-N531 PolarHBondContact O-N 3.45Å; P529-N531 PolarHBondContact O-ND2 3.12Å; P529-R549 PolarHBondContact O-NH2 3.35Å; P529-F558 HydrophobicContact CB-CZ 4.36Å; P529-F558 HydrophobicContact CG-CE2 4.34Å; P529-F558 HydrophobicContact CG-CZ 3.79Å
530	K	94.5	Very high	94.3	Very high	185 Å²	185	46.6 Å²	46.6	80%	0.804	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-67.5	121.5	171.6	-71.6	-172.2	177.3	-175.4	0	110.3
531	N	95.4	Very high	94.3	Very high	36 Å²	36	48 Å²	48	19%	0.193	25%	0.246	C	C	.	.			trans	-157.3	171.1	176.8	70	77.2	0	0	0	109.3	P529 Y533 D534 N535 F558	P529-N531 PolarHBondContact O-N 3.45Å; P529-N531 PolarHBondContact O-ND2 3.12Å; N531-Y533 VanDerWaalsContact C-N 3.26Å; N531-Y533 PolarHBondContact O-N 3.38Å; N531-Y533 WeakPolarHBondContact OD1-CA 3.21Å; N531-Y533 WeakPolarHBondContact OD1-CB 3.37Å; N531-Y533 WeakPolarHBondContact OD1-CD2 3.07Å; N531-Y533 PolarHBondContact OD1-N 3.23Å; N531-D534 PolarHBondContact ND2-OD2 3.21Å; N531-D534 PolarHBondContact OD1-N 2.85Å; N531-D534 VanDerWaalsContact OD1-N 3.09Å; N531-D534 PolarHBondContact OD1-OD2 2.8Å; N531-N535 WeakPolarHBondContact O-CB 3.41Å; N531-N535 PolarHBondContact O-N 3.09Å; N531-N535 PolarHBondContact O-ND2 3.41Å; N531-F558 HydrophobicContact CB-CD2 4.48Å; N531-F558 WeakPolarHBondContact ND2-CD2 3.36Å
532	K	95.5	Very high	94.3	Very high	83 Å²	83	42.9 Å²	42.9	36%	0.361	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.6	-175.2	73.6	175.7	-172.8	172.9	0	115.3	E201 Q202 P536	E201-K532 IonicContact OE1-NZ 3.75Å; E201-K532 PolarHBondContact OE1-NZ 3.03Å; Q202-K532 PolarHBondContact NE2-O 2.76Å; K532-P536 WeakPolarHBondContact O-CA 3.46Å
533	Y	96.5	Very high	94.3	Very high	50 Å²	50	36.9 Å²	36.9	20%	0.196	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-43.5	177.8	-54	-73.4	0	0	0	111.2	N531 N535 P536 M557 F558 F568 Y570	N531-Y533 VanDerWaalsContact C-N 3.26Å; N531-Y533 PolarHBondContact O-N 3.38Å; N531-Y533 WeakPolarHBondContact OD1-CA 3.21Å; N531-Y533 WeakPolarHBondContact OD1-CB 3.37Å; N531-Y533 WeakPolarHBondContact OD1-CD2 3.07Å; N531-Y533 PolarHBondContact OD1-N 3.23Å; Y533-N535 VanDerWaalsContact C-N 3.32Å; Y533-P536 WeakPolarHBondContact O-CD 3.29Å; Y533-M557 VanDerWaalsContact C-CB 3.5Å; Y533-M557 WeakPolarHBondContact O-CB 3.28Å; Y533-F558 HydrophobicContact CD2-CB 3.7Å; Y533-F558 HydrophobicContact CG-CB 4.3Å; Y533-F568 HydrophobicContact CE1-CD2 4.04Å; Y533-F568 HydrophobicContact CE1-CE2 4.23Å; Y533-F568 HydrophobicContact CE2-CD2 4.45Å; Y533-F568 HydrophobicContact CE2-CE1 4.2Å; Y533-F568 HydrophobicContact CE2-CE2 4.12Å; Y533-F568 AromaticContact CE2-CZ 3.98Å; Y533-F568 HydrophobicContact CE2-CZ 3.98Å; Y533-F568 AromaticContact CZ-CD2 3.9Å; Y533-F568 AromaticContact CZ-CE2 3.64Å; Y533-F568 AromaticContact CZ-CZ 3.97Å; Y533-F568 WeakPolarHBondContact OH-CE2 3.48Å; Y533-Y570 HydrophobicContact CD1-CD1 4.06Å; Y533-Y570 HydrophobicContact CD1-CD2 4.34Å; Y533-Y570 HydrophobicContact CD1-CE1 4.45Å; Y533-Y570 AromaticContact CD1-CG 3.98Å; Y533-Y570 HydrophobicContact CD1-CG 3.98Å; Y533-Y570 WeakPolarHBondContact O-CD2 3.37Å
534	D	95.9	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-23	176.1	-75.1	-90.3	0	0	0	113.1	C528 N531 L550 S551 C556 M557 F558	C528-D534 WeakPolarHBondContact CB-OD1 3.17Å; N531-D534 PolarHBondContact ND2-OD2 3.21Å; N531-D534 PolarHBondContact OD1-N 2.85Å; N531-D534 VanDerWaalsContact OD1-N 3.09Å; N531-D534 PolarHBondContact OD1-OD2 2.8Å; D534-L550 PolarHBondContact O-N 3.32Å; D534-S551 WeakPolarHBondContact OD1-CB 3.21Å; D534-S551 PolarHBondContact OD1-OG 3.43Å; D534-C556 WeakPolarHBondContact OD1-CA 3.27Å; D534-M557 HydrophobicContact CB-CB 4.46Å; D534-M557 PolarHBondContact OD1-N 2.91Å; D534-M557 PolarHBondContact OD2-N 3.42Å; D534-F558 WeakPolarHBondContact OD2-CD1 3.47Å; D534-F558 PolarHBondContact OD2-N 3.07Å
535	N	95	Very high	94.1	Very high	50 Å²	50	39.2 Å²	39.2	27%	0.267	20%	0.196	S	C	.	.	S	Bend	trans	-135.9	68.6	178.6	-47.4	-105.9	0	0	0	107.6	N531 Y533 R549	N531-N535 WeakPolarHBondContact O-CB 3.41Å; N531-N535 PolarHBondContact O-N 3.09Å; N531-N535 PolarHBondContact O-ND2 3.41Å; Y533-N535 VanDerWaalsContact C-N 3.32Å; N535-R549 PolarHBondContact ND2-NH2 3Å
536	P	95.8	Very high	93.8	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.078	20%	0.202	C	C	.	.			trans	-62.8	154.2	179.4	29.9	-36.2	0	0	0	111	I297 K532 Y533 Y538 L539 L550 Y570	I297-P536 HydrophobicContact CD1-CB 4.39Å; I297-P536 HydrophobicContact CD1-CG 4.12Å; K532-P536 WeakPolarHBondContact O-CA 3.46Å; Y533-P536 WeakPolarHBondContact O-CD 3.29Å; P536-Y538 WeakPolarHBondContact CB-O 3.36Å; P536-Y538 VanDerWaalsContact CG-O 3.23Å; P536-Y538 WeakPolarHBondContact CG-O 3.17Å; P536-Y538 PolarHBondContact O-N 2.88Å; P536-Y538 VanDerWaalsContact O-N 3.16Å; P536-L539 HydrophobicContact CG-CD1 4.03Å; P536-L550 HydrophobicContact CG-CD2 4.44Å; P536-Y570 HydrophobicContact CB-CE2 4.39Å
537	P	94.5	Very high	93.2	Very high	60 Å²	60	43.5 Å²	43.5	39%	0.39	22%	0.218	S	C	.	.	S	Bend	trans	-58.7	-26	178.1	-24.8	34.6	0	0	0	114.1	V115	V115-P537 WeakPolarHBondContact O-CB 3.41Å
538	Y	94.6	Very high	92.7	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.012	22%	0.223	C	C	.	.	S	Bend	trans	-124.5	126	168.3	-179.5	-115.7	0	0	0	109.2	P54 D55 F203 E283 I297 P536 T540 Y544	P54-Y538 HydrophobicContact CB-CE2 4.11Å; P54-Y538 HydrophobicContact CG-CD2 4.44Å; P54-Y538 HydrophobicContact CG-CE2 3.67Å; D55-Y538 VanDerWaalsContact OD1-CD2 3.29Å; D55-Y538 WeakPolarHBondContact OD1-CD2 3.37Å; F203-Y538 AromaticContact CD2-CD1 3.54Å; F203-Y538 HydrophobicContact CD2-CD1 3.54Å; F203-Y538 HydrophobicContact CD2-CD2 4.36Å; F203-Y538 HydrophobicContact CD2-CE1 4.22Å; F203-Y538 AromaticContact CD2-CG 3.62Å; F203-Y538 HydrophobicContact CD2-CG 3.62Å; F203-Y538 AromaticContact CE2-CD1 3.65Å; F203-Y538 HydrophobicContact CE2-CD1 3.65Å; F203-Y538 HydrophobicContact CE2-CD2 4.16Å; F203-Y538 AromaticContact CE2-CE1 3.87Å; F203-Y538 HydrophobicContact CE2-CE1 3.87Å; F203-Y538 HydrophobicContact CE2-CE2 4.41Å; F203-Y538 AromaticContact CE2-CG 3.8Å; F203-Y538 HydrophobicContact CE2-CG 3.8Å; E283-Y538 VanDerWaalsContact CD-OH 3.27Å; E283-Y538 PolarHBondContact OE1-OH 3.3Å; E283-Y538 PolarHBondContact OE2-OH 3.31Å; I297-Y538 HydrophobicContact CG2-CD1 3.78Å; I297-Y538 WeakPolarHBondContact CG2-O 3.42Å; P536-Y538 WeakPolarHBondContact CB-O 3.36Å; P536-Y538 VanDerWaalsContact CG-O 3.23Å; P536-Y538 WeakPolarHBondContact CG-O 3.17Å; P536-Y538 PolarHBondContact O-N 2.88Å; P536-Y538 VanDerWaalsContact O-N 3.16Å; Y538-T540 HydrophobicContact CD1-CG2 4.09Å; Y538-T540 HydrophobicContact CE1-CG2 3.83Å; Y538-Y544 HydrophobicContact CE2-CE2 4.44Å
539	L	91.7	Very high	92.5	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	23%	0.228	C	C	.	.			trans	-89.6	-15.3	-170	-166.6	64.4	0	0	0	114.3	P536 Y544 L550	P536-L539 HydrophobicContact CG-CD1 4.03Å; L539-Y544 HydrophobicContact CB-CD1 4.5Å; L539-Y544 HydrophobicContact CB-CD2 4.26Å; L539-Y544 HydrophobicContact CB-CE1 4.04Å; L539-Y544 HydrophobicContact CB-CE2 3.76Å; L539-Y544 HydrophobicContact CD2-CD1 4Å; L539-Y544 HydrophobicContact CD2-CE1 4.06Å; L539-Y544 HydrophobicContact CD2-CG 4.41Å; L539-L550 HydrophobicContact CD1-CB 4Å
540	T	94.1	Very high	92.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.			trans	60	159.1	-161.5	71.3	0	0	0	0	113.1	A281 E283 I297 Y538 A542 G543 Y544	A281-T540 HydrophobicContact CB-CG2 4.29Å; E283-T540 WeakPolarHBondContact OE2-CA 3.26Å; E283-T540 WeakPolarHBondContact OE2-CB 3.31Å; I297-T540 HydrophobicContact CG2-CG2 3.61Å; Y538-T540 HydrophobicContact CD1-CG2 4.09Å; Y538-T540 HydrophobicContact CE1-CG2 3.83Å; T540-A542 PolarHBondContact O-N 2.91Å; T540-A542 VanDerWaalsContact O-N 3.14Å; T540-A542 WeakPolarHBondContact OG1-CB 2.98Å; T540-A542 PolarHBondContact OG1-N 3.28Å; T540-G543 PolarHBondContact O-N 3.29Å; T540-G543 VanDerWaalsContact O-N 3.07Å; T540-Y544 WeakPolarHBondContact O-CD2 3.46Å; T540-Y544 PolarHBondContact O-N 3.06Å
541	E	92.7	Very high	92.5	Very high	35 Å²	35	34 Å²	34	16%	0.164	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-25.7	175.3	-170.7	72.4	161.4	0	0	111.6	T235 P237 R252 E283 G543 Y544 L545	T235-E541 HydrophobicContact CG2-CB 3.76Å; T235-E541 HydrophobicContact CG2-CG 4.23Å; P237-E541 HydrophobicContact CB-CB 4.01Å; P237-E541 HydrophobicContact CB-CG 4.5Å; P237-E541 HydrophobicContact CG-CB 4.15Å; P237-E541 HydrophobicContact CG-CG 4.1Å; R252-E541 IonicContact NH2-OE1 3.99Å; R252-E541 PolarHBondContact NH2-OE1 2.81Å; E283-E541 PolarHBondContact OE2-N 2.76Å; E541-G543 PolarHBondContact O-N 3.41Å; E541-Y544 PolarHBondContact O-N 3.15Å; E541-L545 HydrophobicContact CG-CD1 3.72Å; E541-L545 HydrophobicContact CG-CD2 4.31Å; E541-L545 HydrophobicContact CG-CG 3.71Å; E541-L545 WeakPolarHBondContact O-CB 3.32Å; E541-L545 WeakPolarHBondContact O-CG 3.09Å; E541-L545 PolarHBondContact O-N 3.01Å; E541-L545 WeakPolarHBondContact OE1-CD2 3.38Å
542	A	90.4	Very high	92.5	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-29.8	176.9	0	0	0	0	0	113	P237 F239 T540	P237-A542 HydrophobicContact CB-CB 3.69Å; P237-A542 VanDerWaalsContact CB-N 3.28Å; F239-A542 HydrophobicContact CB-CB 3.82Å; T540-A542 PolarHBondContact O-N 2.91Å; T540-A542 VanDerWaalsContact O-N 3.14Å; T540-A542 WeakPolarHBondContact OG1-CB 2.98Å; T540-A542 PolarHBondContact OG1-N 3.28Å
543	G	89.8	Confident	92.5	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-89.6	-42.4	172.3	0	0	0	0	0	112.2	T540 E541 L545 W546 S547	T540-G543 PolarHBondContact O-N 3.29Å; T540-G543 VanDerWaalsContact O-N 3.07Å; E541-G543 PolarHBondContact O-N 3.41Å; G543-L545 PolarHBondContact O-N 2.82Å; G543-W546 PolarHBondContact O-N 3.44Å; G543-S547 CarbonylContact O-C 3.56Å; G543-S547 WeakPolarHBondContact O-CA 3.21Å; G543-S547 PolarHBondContact O-N 2Å
544	Y	89.6	Confident	92.6	Very high	74 Å²	74	29.3 Å²	29.3	29%	0.29	16%	0.158	S	C	.	.	H	α-helix	trans	-65.6	-36.8	-175.3	-70.1	-58.6	0	0	0	114.4	D55 P56 Y538 L539 T540 E541 W546	D55-Y544 PolarHBondContact OD1-OH 2.82Å; D55-Y544 VanDerWaalsContact OD1-OH 3.09Å; P56-Y544 HydrophobicContact CG-CD1 3.55Å; P56-Y544 HydrophobicContact CG-CD2 3.84Å; P56-Y544 HydrophobicContact CG-CE1 3.79Å; P56-Y544 HydrophobicContact CG-CE2 4.07Å; P56-Y544 HydrophobicContact CG-CG 3.59Å; Y538-Y544 HydrophobicContact CE2-CE2 4.44Å; L539-Y544 HydrophobicContact CB-CD1 4.5Å; L539-Y544 HydrophobicContact CB-CD2 4.26Å; L539-Y544 HydrophobicContact CB-CE1 4.04Å; L539-Y544 HydrophobicContact CB-CE2 3.76Å; L539-Y544 HydrophobicContact CD2-CD1 4Å; L539-Y544 HydrophobicContact CD2-CE1 4.06Å; L539-Y544 HydrophobicContact CD2-CG 4.41Å; T540-Y544 WeakPolarHBondContact O-CD2 3.46Å; T540-Y544 PolarHBondContact O-N 3.06Å; E541-Y544 PolarHBondContact O-N 3.15Å; Y544-W546 PolarHBondContact O-N 2.85Å
545	L	89.4	Confident	92.7	Very high	52 Å²	52	29.3 Å²	29.3	27%	0.272	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.2	-179.5	-74.6	176.9	0	0	0	112.7	P237 E541 G543	P237-L545 HydrophobicContact CG-CD1 3.99Å; E541-L545 HydrophobicContact CG-CD1 3.72Å; E541-L545 HydrophobicContact CG-CD2 4.31Å; E541-L545 HydrophobicContact CG-CG 3.71Å; E541-L545 WeakPolarHBondContact O-CB 3.32Å; E541-L545 WeakPolarHBondContact O-CG 3.09Å; E541-L545 PolarHBondContact O-N 3.01Å; E541-L545 WeakPolarHBondContact OE1-CD2 3.38Å; G543-L545 PolarHBondContact O-N 2.82Å
546	W	87.4	Confident	92.9	Very high	59 Å²	59	26.9 Å²	26.9	22%	0.223	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-27	-168.3	-56.4	113.4	0	0	0	114.1	Q243 H251 N254 G543 Y544	Q243-W546 VanDerWaalsContact CD-CH2 3.4Å; Q243-W546 HydrophobicContact CG-CH2 3.5Å; Q243-W546 VanDerWaalsContact CG-CH2 3.5Å; Q243-W546 HydrophobicContact CG-CZ2 3.44Å; Q243-W546 VanDerWaalsContact CG-CZ2 3.44Å; Q243-W546 HydrophobicContact CG-CZ3 4.18Å; H251-W546 AromaticContact CE1-CH2 3.09Å; H251-W546 WeakPolarHBondContact CE1-CH2 3.47Å; H251-W546 AromaticContact CE1-CZ2 3.34Å; H251-W546 WeakPolarHBondContact CE1-CZ2 3.34Å; H251-W546 AromaticContact CE1-CZ3 3.63Å; H251-W546 AromaticContact ND1-CH2 3.59Å; H251-W546 AromaticContact ND1-CZ2 3.67Å; H251-W546 AromaticContact NE2-CH2 3.93Å; N254-W546 PolarHBondContact OD1-NE1 3.27Å; G543-W546 PolarHBondContact O-N 3.44Å; Y544-W546 PolarHBondContact O-N 2.85Å
547	S	86.2	Confident	93	Very high	53 Å²	53	26.3 Å²	26.3	37%	0.371	14%	0.141	S	C	.	.			trans	-161	-160.7	-171.6	-164.6	0	0	0	0	111.6	G543	G543-S547 CarbonylContact O-C 3.56Å; G543-S547 WeakPolarHBondContact O-CA 3.21Å; G543-S547 PolarHBondContact O-N 2Å
548	S	85.1	Confident	93.2	Very high	89 Å²	89	24.1 Å²	24.1	62%	0.622	13%	0.125	S	C	*	.	S	Bend	trans	-121.7	7.2	171.2	56.3	0	0	0	0	112.6
549	R	92	Very high	93.4	Very high	38 Å²	38	24 Å²	24	14%	0.143	13%	0.125	C	C	.	.	S	Bend	trans	-140	139.5	-175.4	-58.7	-169.3	65.9	168.1	-1.4	110.7	N508 C528 P529 N535 S551 A552	N508-R549 PolarHBondContact OD1-NH1 3.26Å; C528-R549 VanDerWaalsContact O-CZ 3.23Å; C528-R549 PolarHBondContact O-NH1 2.83Å; C528-R549 PolarHBondContact O-NH2 2.97Å; P529-R549 PolarHBondContact O-NH2 3.35Å; N535-R549 PolarHBondContact ND2-NH2 3Å; R549-S551 VanDerWaalsContact C-N 3.3Å; R549-S551 PolarHBondContact O-N 2.79Å; R549-A552 WeakPolarHBondContact O-CB 3.35Å; R549-A552 PolarHBondContact O-N 3.11Å
550	L	95	Very high	93.7	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.026	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-28.8	-177.5	-171.5	62.8	0	0	0	112.3	F239 A281 I297 D534 P536 L539 A552 M557 Y570	F239-L550 HydrophobicContact CD1-CD1 3.82Å; F239-L550 HydrophobicContact CE1-CD1 3.62Å; F239-L550 HydrophobicContact CE1-CG 3.91Å; F239-L550 HydrophobicContact CG-CD1 4.43Å; F239-L550 HydrophobicContact CZ-CD1 4.08Å; F239-L550 HydrophobicContact CZ-CD2 4.4Å; F239-L550 HydrophobicContact CZ-CG 4.05Å; A281-L550 HydrophobicContact CB-CD1 4.03Å; A281-L550 HydrophobicContact CB-CD2 4.41Å; I297-L550 HydrophobicContact CD1-CD2 3.65Å; D534-L550 PolarHBondContact O-N 3.32Å; P536-L550 HydrophobicContact CG-CD2 4.44Å; L539-L550 HydrophobicContact CD1-CB 4Å; L550-A552 PolarHBondContact O-N 2.83Å; L550-M557 HydrophobicContact CB-CG 4.07Å; L550-M557 HydrophobicContact CB-SD 4.48Å; L550-M557 HydrophobicContact CD2-CG 4.03Å; L550-M557 HydrophobicContact CD2-SD 3.82Å; L550-M557 HydrophobicContact CG-CG 4.07Å; L550-M557 HydrophobicContact CG-SD 3.85Å; L550-Y570 HydrophobicContact CD2-CD2 3.84Å; L550-Y570 HydrophobicContact CD2-CE2 3.78Å
551	S	96.4	Very high	93.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	4.4	176.1	43	0	0	0	0	115.2	T507 N508 D534 R549 K553 T554 L555	T507-S551 VanDerWaalsContact CB-O 3.28Å; T507-S551 WeakPolarHBondContact CB-O 3.48Å; T507-S551 VanDerWaalsContact CG2-O 3.26Å; T507-S551 WeakPolarHBondContact CG2-O 3.43Å; N508-S551 PolarHBondContact ND2-OG 3.16Å; N508-S551 VanDerWaalsContact ND2-OG 3.08Å; D534-S551 WeakPolarHBondContact OD1-CB 3.21Å; D534-S551 PolarHBondContact OD1-OG 3.43Å; R549-S551 VanDerWaalsContact C-N 3.3Å; R549-S551 PolarHBondContact O-N 2.79Å; S551-K553 PolarHBondContact O-N 2.93Å; S551-T554 PolarHBondContact O-N 3.27Å; S551-T554 VanDerWaalsContact O-O 3.14Å; S551-L555 VanDerWaalsContact CB-O 3.29Å; S551-L555 WeakPolarHBondContact CB-O 3.43Å
552	A	95	Very high	94.1	Very high	10 Å²	10	23.9 Å²	23.9	8%	0.083	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	130.3	175	0	0	0	0	0	110.7	R241 R549 L550 T554	R241-A552 PolarHBondContact NH1-O 2.72Å; R549-A552 WeakPolarHBondContact O-CB 3.35Å; R549-A552 PolarHBondContact O-N 3.11Å; L550-A552 PolarHBondContact O-N 2.83Å; A552-T554 VanDerWaalsContact C-N 3.28Å; A552-T554 PolarHBondContact O-N 2.87Å
553	K	96.3	Very high	94.2	Very high	55 Å²	55	26.1 Å²	26.1	24%	0.239	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	16.1	-174.2	-65.5	-166.1	171.5	-175.8	0	116.7	D242 N504 S551	D242-K553 WeakPolarHBondContact O-CD 3.44Å; D242-K553 PolarHBondContact O-NZ 2.95Å; N504-K553 PolarHBondContact N-O 3.45Å; N504-K553 CarbonylContact O-C 3.47Å; N504-K553 VanDerWaalsContact O-C 3.31Å; N504-K553 VanDerWaalsContact O-CA 3.27Å; N504-K553 WeakPolarHBondContact O-CA 3.17Å; S551-K553 PolarHBondContact O-N 2.93Å
554	T	98	Very high	94.4	Very high	4 Å²	4	33 Å²	33	3%	0.025	18%	0.178	C	C	.	.	S	Bend	trans	-148.2	-170.7	175.7	-169.8	0	0	0	0	111.4	P502 T507 S551 A552 M557 H569 H573	P502-T554 WeakPolarHBondContact O-CA 3.32Å; P502-T554 WeakPolarHBondContact O-CB 3.17Å; P502-T554 PolarHBondContact O-OG1 2.93Å; T507-T554 WeakPolarHBondContact CB-O 3.41Å; T507-T554 VanDerWaalsContact CG2-O 3.27Å; T507-T554 WeakPolarHBondContact CG2-O 3.47Å; T507-T554 PolarHBondContact OG1-O 3.3Å; S551-T554 PolarHBondContact O-N 3.27Å; S551-T554 VanDerWaalsContact O-O 3.14Å; A552-T554 VanDerWaalsContact C-N 3.28Å; A552-T554 PolarHBondContact O-N 2.87Å; T554-M557 HydrophobicContact CG2-CE 3.31Å; T554-H569 PolarHBondContact OG1-NE2 2.76Å; T554-H573 PolarHBondContact OG1-CE1 3.15Å; T554-H573 PolarHBondContact OG1-ND1 3.06Å
555	L	98.5	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-72.6	169.5	177.6	-60.5	178.7	0	0	0	111.6	I431 M455 F467 P502 N504 L526 S551 M557	I431-L555 HydrophobicContact CB-CD1 4.46Å; I431-L555 HydrophobicContact CD1-CD1 3.58Å; I431-L555 HydrophobicContact CG2-CD1 4.26Å; M455-L555 HydrophobicContact SD-CB 4.07Å; M455-L555 HydrophobicContact SD-CD2 4.38Å; F467-L555 HydrophobicContact CB-CD1 4Å; F467-L555 HydrophobicContact CD2-CD1 3.93Å; F467-L555 HydrophobicContact CD2-CD2 3.7Å; F467-L555 HydrophobicContact CD2-CG 4.25Å; F467-L555 HydrophobicContact CE2-CD2 3.74Å; F467-L555 HydrophobicContact CE2-CG 4.44Å; F467-L555 HydrophobicContact CG-CD1 3.93Å; F467-L555 HydrophobicContact CG-CD2 4.5Å; P502-L555 HydrophobicContact CB-CD1 4.34Å; N504-L555 HydrophobicContact CB-CD2 4.43Å; L526-L555 HydrophobicContact CD2-CD2 4.03Å; S551-L555 VanDerWaalsContact CB-O 3.29Å; S551-L555 WeakPolarHBondContact CB-O 3.43Å; L555-M557 WeakPolarHBondContact O-CE 3.18Å; L555-M557 PolarHBondContact O-N 2.64Å
556	C	98.5	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-68	134.2	177	-54.5	0	0	0	0	111.1	W433 M455 C528 D534 F558 A559	W433-C556 HydrophobicContact CZ3-CB 4.5Å; M455-C556 HydrophobicContact CE-CB 3.84Å; M455-C556 HydrophobicContact SD-CB 4.04Å; C528-C556 WeakPolarHBondContact CA-SG 3.38Å; C528-C556 HydrophobicContact CB-CB 3.71Å; C528-C556 WeakPolarHBondContact CB-SG 3.38Å; C528-C556 WeakPolarHBondContact SG-CA 3.24Å; C528-C556 WeakPolarHBondContact SG-CB 3.4Å; C528-C556 CovalentContact SG-SG 2.04Å; C528-C556 PolarHBondContact SG-SG 3.25Å; D534-C556 WeakPolarHBondContact OD1-CA 3.27Å; C556-F558 HydrophobicContact CB-CD1 3.57Å; C556-F558 HydrophobicContact CB-CE1 3.44Å; C556-F558 VanDerWaalsContact CB-CE1 3.44Å; C556-F558 PolarHBondContact O-N 3.48Å; C556-A559 WeakPolarHBondContact O-CB 3.3Å; C556-A559 PolarHBondContact O-N 2.77Å
557	M	98.3	Very high	95.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-171.9	-70	-63.5	113.7	0	0	113.2	F239 Y533 D534 L550 T554 L555 A559 H569 Y570	F239-M557 HydrophobicContact CE1-CE 4.39Å; F239-M557 HydrophobicContact CZ-CE 4.01Å; F239-M557 HydrophobicContact CZ-SD 3.86Å; Y533-M557 VanDerWaalsContact C-CB 3.5Å; Y533-M557 WeakPolarHBondContact O-CB 3.28Å; D534-M557 HydrophobicContact CB-CB 4.46Å; D534-M557 PolarHBondContact OD1-N 2.91Å; D534-M557 PolarHBondContact OD2-N 3.42Å; L550-M557 HydrophobicContact CB-CG 4.07Å; L550-M557 HydrophobicContact CB-SD 4.48Å; L550-M557 HydrophobicContact CD2-CG 4.03Å; L550-M557 HydrophobicContact CD2-SD 3.82Å; L550-M557 HydrophobicContact CG-CG 4.07Å; L550-M557 HydrophobicContact CG-SD 3.85Å; T554-M557 HydrophobicContact CG2-CE 3.31Å; L555-M557 WeakPolarHBondContact O-CE 3.18Å; L555-M557 PolarHBondContact O-N 2.64Å; M557-A559 VanDerWaalsContact C-N 3.29Å; M557-A559 PolarHBondContact O-N 2.97Å; M557-H569 CarbonylContact O-C 3.42Å; M557-H569 PolarHBondContact O-N 2.83Å; M557-Y570 HydrophobicContact CB-CD2 4.18Å; M557-Y570 HydrophobicContact CG-CD2 4.44Å; M557-Y570 WeakPolarHBondContact O-CB 3.44Å; M557-Y570 PolarHBondContact O-N 2.97Å; M557-Y570 HydrophobicContact SD-CD2 4.45Å
558	F	97.4	Very high	96.1	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.057	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	8.1	175.1	75.3	-21.6	0	0	0	115.5	W433 P434 F438 P529 N531 Y533 D534 C556 F568	W433-F558 AromaticContact CE3-CE1 3.83Å; W433-F558 HydrophobicContact CE3-CE1 3.83Å; W433-F558 AromaticContact CE3-CZ 3.83Å; W433-F558 HydrophobicContact CE3-CZ 3.83Å; W433-F558 AromaticContact CZ3-CE1 3.49Å; W433-F558 HydrophobicContact CZ3-CE1 3.49Å; W433-F558 VanDerWaalsContact CZ3-CE1 3.49Å; W433-F558 AromaticContact CZ3-CZ 3.59Å; W433-F558 HydrophobicContact CZ3-CZ 3.59Å; P434-F558 HydrophobicContact CG-CD2 4.15Å; P434-F558 HydrophobicContact CG-CE2 4.24Å; P434-F558 HydrophobicContact CG-CG 4.5Å; F438-F558 HydrophobicContact CD1-CE2 4.31Å; F438-F558 HydrophobicContact CD1-CZ 4.43Å; F438-F558 HydrophobicContact CD2-CE2 4.36Å; F438-F558 HydrophobicContact CE1-CE2 4.32Å; F438-F558 HydrophobicContact CE2-CE2 4.37Å; F438-F558 HydrophobicContact CG-CE2 4.32Å; F438-F558 HydrophobicContact CG-CZ 4.35Å; F438-F558 HydrophobicContact CZ-CE2 4.35Å; P529-F558 HydrophobicContact CB-CZ 4.36Å; P529-F558 HydrophobicContact CG-CE2 4.34Å; P529-F558 HydrophobicContact CG-CZ 3.79Å; N531-F558 HydrophobicContact CB-CD2 4.48Å; N531-F558 WeakPolarHBondContact ND2-CD2 3.36Å; Y533-F558 HydrophobicContact CD2-CB 3.7Å; Y533-F558 HydrophobicContact CG-CB 4.3Å; D534-F558 WeakPolarHBondContact OD2-CD1 3.47Å; D534-F558 PolarHBondContact OD2-N 3.07Å; C556-F558 HydrophobicContact CB-CD1 3.57Å; C556-F558 HydrophobicContact CB-CE1 3.44Å; C556-F558 VanDerWaalsContact CB-CE1 3.44Å; C556-F558 PolarHBondContact O-N 3.48Å; F558-F568 HydrophobicContact CB-CD1 4.34Å; F558-F568 WeakPolarHBondContact O-CD1 3.19Å
559	A	98.6	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.			trans	-60.1	150.4	172.1	0	0	0	0	0	110.6	I431 M455 C556 M557 F568 H569	I431-A559 HydrophobicContact CG2-CB 3.72Å; M455-A559 HydrophobicContact CE-CB 3.41Å; M455-A559 VanDerWaalsContact CE-CB 3.41Å; M455-A559 HydrophobicContact SD-CB 3.76Å; C556-A559 WeakPolarHBondContact O-CB 3.3Å; C556-A559 PolarHBondContact O-N 2.77Å; M557-A559 VanDerWaalsContact C-N 3.29Å; M557-A559 PolarHBondContact O-N 2.97Å; A559-F568 CarbonylContact O-C 3.21Å; A559-F568 WeakPolarHBondContact O-CA 3.02Å; A559-H569 HydrophobicContact CB-CB 3.99Å; A559-H569 PolarHBondContact O-N 3.32Å
560	K	98.2	Very high	97.1	Very high	44 Å²	44	25.3 Å²	25.3	19%	0.191	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.5	-177.3	-71.2	-55.3	-148.3	160.3	0	112.1	T432 P434 G565 Y567 F568	T432-K560 PolarHBondContact N-O 2.73Å; T432-K560 PolarHBondContact O-N 3.31Å; P434-K560 HydrophobicContact CB-CG 3.86Å; K560-G565 VanDerWaalsContact CD-O 3.26Å; K560-G565 WeakPolarHBondContact CD-O 3.43Å; K560-G565 VanDerWaalsContact CE-O 3.23Å; K560-G565 WeakPolarHBondContact CE-O 3.41Å; K560-G565 PolarHBondContact NZ-O 2.94Å; K560-Y567 WeakPolarHBondContact CA-O 3.24Å; K560-F568 HydrophobicContact CD-CD1 3.92Å; K560-F568 HydrophobicContact CD-CE1 3.81Å
561	Q	98.2	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.6	176.5	-69.5	-171.2	-113	0	0	111.3	I431 D469 G565 E566 Y567 H569 V572	I431-Q561 HydrophobicContact CD1-CG 4.03Å; I431-Q561 HydrophobicContact CG1-CG 3.88Å; I431-Q561 HydrophobicContact CG2-CG 4.1Å; D469-Q561 WeakPolarHBondContact OD1-CB 3.28Å; D469-Q561 PolarHBondContact OD1-NE2 2.99Å; D469-Q561 VanDerWaalsContact OD1-NE2 3.11Å; D469-Q561 WeakPolarHBondContact OD2-CA 3.3Å; Q561-G565 CarbonylContact O-C 3.49Å; Q561-G565 VanDerWaalsContact O-CA 3.31Å; Q561-G565 WeakPolarHBondContact O-CA 3.49Å; Q561-E566 PolarHBondContact O-N 3.02Å; Q561-Y567 PolarHBondContact N-O 3.39Å; Q561-Y567 PolarHBondContact O-N 3.16Å; Q561-H569 PolarHBondContact OE1-ND1 2.93Å; Q561-V572 HydrophobicContact CB-CG2 4.07Å; Q561-V572 HydrophobicContact CG-CG2 4.38Å
562	G	97.2	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	98.2	165.9	-177.3	0	0	0	0	0	113.2	D469 K472 N564 G565 E566	D469-G562 PolarHBondContact OD2-N 2.66Å; K472-G562 WeakPolarHBondContact CE-O 3.27Å; G562-N564 PolarHBondContact O-N 3.19Å; G562-N564 VanDerWaalsContact O-N 3.12Å; G562-G565 PolarHBondContact O-N 2.75Å; G562-G565 VanDerWaalsContact O-N 3.15Å; G562-E566 WeakPolarHBondContact CA-OE1 3.4Å
563	A	93.6	Very high	97.5	Very high	49 Å²	49	25.5 Å²	25.5	41%	0.405	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.9	-172.6	0	0	0	0	0	113.1	E566	A563-E566 PolarHBondContact N-OE1 3.13Å; A563-E566 PolarHBondContact N-OE2 3.11Å
564	N	93.9	Very high	97.6	Very high	149 Å²	149	23 Å²	23	80%	0.797	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	15.4	178.9	-55.5	-66.4	0	0	0	112.4	G562 E566	G562-N564 PolarHBondContact O-N 3.19Å; G562-N564 VanDerWaalsContact O-N 3.12Å; N564-E566 VanDerWaalsContact C-N 3.3Å; N564-E566 WeakPolarHBondContact CA-OE2 3.14Å; N564-E566 PolarHBondContact N-OE2 2.96Å; N564-E566 PolarHBondContact O-N 2.92Å
565	G	95	Very high	97.7	Very high	19 Å²	19	22.8 Å²	22.8	20%	0.196	12%	0.122	C	C	.	.	S	Bend	trans	66.7	30.4	-174	0	0	0	0	0	113.3	K560 Q561 G562	K560-G565 VanDerWaalsContact CD-O 3.26Å; K560-G565 WeakPolarHBondContact CD-O 3.43Å; K560-G565 VanDerWaalsContact CE-O 3.23Å; K560-G565 WeakPolarHBondContact CE-O 3.41Å; K560-G565 PolarHBondContact NZ-O 2.94Å; Q561-G565 CarbonylContact O-C 3.49Å; Q561-G565 VanDerWaalsContact O-CA 3.31Å; Q561-G565 WeakPolarHBondContact O-CA 3.49Å; G562-G565 PolarHBondContact O-N 2.75Å; G562-G565 VanDerWaalsContact O-N 3.15Å
566	E	96.5	Very high	97.7	Very high	83 Å²	83	22.8 Å²	22.8	39%	0.388	12%	0.122	S	C	.	.			trans	-72	-31.1	-178.5	64.7	-82.6	-165.5	0	0	113.2	Q561 G562 A563 N564	Q561-E566 PolarHBondContact O-N 3.02Å; G562-E566 WeakPolarHBondContact CA-OE1 3.4Å; A563-E566 PolarHBondContact N-OE1 3.13Å; A563-E566 PolarHBondContact N-OE2 3.11Å; N564-E566 VanDerWaalsContact C-N 3.3Å; N564-E566 WeakPolarHBondContact CA-OE2 3.14Å; N564-E566 PolarHBondContact N-OE2 2.96Å; N564-E566 PolarHBondContact O-N 2.92Å
567	Y	98.3	Very high	97.7	Very high	52 Å²	52	22.8 Å²	22.8	20%	0.204	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142.6	-178.2	-53	-56	0	0	0	111.5	Y146 P149 F471 K560 Q561 V572	Y146-Y567 AromaticContact CD2-CD1 3.99Å; Y146-Y567 HydrophobicContact CD2-CD1 3.99Å; Y146-Y567 HydrophobicContact CD2-CE1 4.28Å; Y146-Y567 AromaticContact CE2-CD1 3.82Å; Y146-Y567 HydrophobicContact CE2-CD1 3.82Å; Y146-Y567 HydrophobicContact CE2-CE1 4.07Å; P149-Y567 HydrophobicContact CB-CE1 4.38Å; P149-Y567 WeakPolarHBondContact CB-OH 3.04Å; P149-Y567 HydrophobicContact CG-CE1 4.39Å; P149-Y567 HydrophobicContact CG-CE2 4.42Å; F471-Y567 HydrophobicContact CD1-CD2 4.46Å; F471-Y567 HydrophobicContact CD1-CE2 4.3Å; F471-Y567 HydrophobicContact CG-CD2 4.42Å; K560-Y567 WeakPolarHBondContact CA-O 3.24Å; Q561-Y567 PolarHBondContact N-O 3.39Å; Q561-Y567 PolarHBondContact O-N 3.16Å; Y567-V572 HydrophobicContact CD1-CG1 4.21Å; Y567-V572 HydrophobicContact CD2-CG1 4.25Å; Y567-V572 HydrophobicContact CG-CG1 3.81Å
568	F	98.5	Very high	97.7	Very high	43 Å²	43	22.8 Å²	22.8	19%	0.189	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	145.6	160.5	-70.1	-68.6	0	0	0	109.3	Y533 F558 A559 K560 Y570 D571 V572	Y533-F568 HydrophobicContact CE1-CD2 4.04Å; Y533-F568 HydrophobicContact CE1-CE2 4.23Å; Y533-F568 HydrophobicContact CE2-CD2 4.45Å; Y533-F568 HydrophobicContact CE2-CE1 4.2Å; Y533-F568 HydrophobicContact CE2-CE2 4.12Å; Y533-F568 AromaticContact CE2-CZ 3.98Å; Y533-F568 HydrophobicContact CE2-CZ 3.98Å; Y533-F568 AromaticContact CZ-CD2 3.9Å; Y533-F568 AromaticContact CZ-CE2 3.64Å; Y533-F568 AromaticContact CZ-CZ 3.97Å; Y533-F568 WeakPolarHBondContact OH-CE2 3.48Å; F558-F568 HydrophobicContact CB-CD1 4.34Å; F558-F568 WeakPolarHBondContact O-CD1 3.19Å; A559-F568 CarbonylContact O-C 3.21Å; A559-F568 WeakPolarHBondContact O-CA 3.02Å; K560-F568 HydrophobicContact CD-CD1 3.92Å; K560-F568 HydrophobicContact CD-CE1 3.81Å; F568-Y570 PolarHBondContact O-N 2.99Å; F568-Y570 VanDerWaalsContact O-N 3.12Å; F568-D571 WeakPolarHBondContact O-CB 3.31Å; F568-D571 PolarHBondContact O-N 3.09Å; F568-V572 PolarHBondContact O-N 2.93Å
569	H	98.7	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-53.4	-33.3	172.4	-174.2	56.3	0	0	0	111.8	P502 T554 M557 A559 Q561 D571 V572 H573	P502-H569 WeakPolarHBondContact CG-CE1 3.49Å; T554-H569 PolarHBondContact OG1-NE2 2.76Å; M557-H569 CarbonylContact O-C 3.42Å; M557-H569 PolarHBondContact O-N 2.83Å; A559-H569 HydrophobicContact CB-CB 3.99Å; A559-H569 PolarHBondContact O-N 3.32Å; Q561-H569 PolarHBondContact OE1-ND1 2.93Å; H569-D571 PolarHBondContact O-N 3.47Å; H569-D571 VanDerWaalsContact O-N 3.1Å; H569-V572 PolarHBondContact O-N 3.31Å; H569-H573 AromaticContact CE1-CG 3.83Å; H569-H573 AromaticContact CE1-ND1 3.29Å; H569-H573 PolarHBondContact CE1-ND1 2.93Å; H569-H573 VanDerWaalsContact CE1-ND1 3.29Å; H569-H573 AromaticContact NE2-CG 3.69Å; H569-H573 AromaticContact NE2-ND1 2.95Å; H569-H573 PolarHBondContact NE2-ND1 3.28Å; H569-H573 WeakPolarHBondContact O-CA 2.97Å; H569-H573 WeakPolarHBondContact O-CB 3.38Å; H569-H573 PolarHBondContact O-N 2.95Å
570	Y	98.5	Very high	97.7	Very high	6 Å²	6	22.6 Å²	22.6	2%	0.024	12%	0.122	C	C	.	.	H	α-helix	trans	-45.6	-35.7	169	-177.3	-99.9	0	0	0	115.4	Q202 N280 I297 Y533 P536 L550 M557 F568	Q202-Y570 PolarHBondContact NE2-OH 3.41Å; Q202-Y570 VanDerWaalsContact NE2-OH 3.16Å; N280-Y570 VanDerWaalsContact ND2-CD1 3.34Å; N280-Y570 WeakPolarHBondContact ND2-CD1 3.27Å; N280-Y570 WeakPolarHBondContact ND2-CE1 3.37Å; N280-Y570 PolarHBondContact ND2-O 3.22Å; I297-Y570 VanDerWaalsContact CB-OH 3.31Å; I297-Y570 WeakPolarHBondContact CB-OH 3.49Å; I297-Y570 HydrophobicContact CD1-CD2 4.41Å; I297-Y570 HydrophobicContact CD1-CE2 3.34Å; I297-Y570 VanDerWaalsContact CD1-CZ 3.45Å; I297-Y570 WeakPolarHBondContact CD1-OH 3.45Å; I297-Y570 HydrophobicContact CG1-CE1 4.34Å; I297-Y570 HydrophobicContact CG1-CE2 4.01Å; I297-Y570 WeakPolarHBondContact CG1-OH 3.44Å; I297-Y570 PolarHBondContact O-OH 3.06Å; Y533-Y570 HydrophobicContact CD1-CD1 4.06Å; Y533-Y570 HydrophobicContact CD1-CD2 4.34Å; Y533-Y570 HydrophobicContact CD1-CE1 4.45Å; Y533-Y570 AromaticContact CD1-CG 3.98Å; Y533-Y570 HydrophobicContact CD1-CG 3.98Å; Y533-Y570 WeakPolarHBondContact O-CD2 3.37Å; P536-Y570 HydrophobicContact CB-CE2 4.39Å; L550-Y570 HydrophobicContact CD2-CD2 3.84Å; L550-Y570 HydrophobicContact CD2-CE2 3.78Å; M557-Y570 HydrophobicContact CB-CD2 4.18Å; M557-Y570 HydrophobicContact CG-CD2 4.44Å; M557-Y570 WeakPolarHBondContact O-CB 3.44Å; M557-Y570 PolarHBondContact O-N 2.97Å; M557-Y570 HydrophobicContact SD-CD2 4.45Å; F568-Y570 PolarHBondContact O-N 2.99Å; F568-Y570 VanDerWaalsContact O-N 3.12Å
571	D	98.7	Very high	97.7	Very high	18 Å²	18	20.5 Å²	20.5	10%	0.096	11%	0.113	C	C	.	.	H	α-helix	trans	-92.1	-38.3	-176.9	-61.9	-52.5	0	0	0	112.1	Y146 S279 N280 F568 H569	Y146-D571 HydrophobicContact CD1-CB 3.72Å; Y146-D571 HydrophobicContact CD2-CB 3.74Å; Y146-D571 HydrophobicContact CE1-CB 3.74Å; Y146-D571 HydrophobicContact CE2-CB 3.74Å; Y146-D571 HydrophobicContact CG-CB 3.72Å; Y146-D571 PolarHBondContact OH-O 3.46Å; S279-D571 PolarHBondContact OG-O 2.78Å; N280-D571 WeakPolarHBondContact ND2-CA 3.45Å; N280-D571 PolarHBondContact ND2-OD1 3.09Å; F568-D571 WeakPolarHBondContact O-CB 3.31Å; F568-D571 PolarHBondContact O-N 3.09Å; H569-D571 PolarHBondContact O-N 3.47Å; H569-D571 VanDerWaalsContact O-N 3.1Å
572	V	98.7	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-108	3.4	-170.2	-60.8	0	0	0	0	114.3	Y146 F471 Q561 Y567 F568 H569 S574 L575 Y576	Y146-V572 HydrophobicContact CE2-CG1 3.96Å; F471-V572 HydrophobicContact CD2-CG2 4.37Å; F471-V572 HydrophobicContact CE1-CG1 4.44Å; F471-V572 HydrophobicContact CE2-CB 3.67Å; F471-V572 HydrophobicContact CE2-CG1 4.2Å; F471-V572 HydrophobicContact CE2-CG2 3.86Å; F471-V572 HydrophobicContact CZ-CB 3.74Å; F471-V572 HydrophobicContact CZ-CG1 3.98Å; F471-V572 HydrophobicContact CZ-CG2 4.43Å; Q561-V572 HydrophobicContact CB-CG2 4.07Å; Q561-V572 HydrophobicContact CG-CG2 4.38Å; Y567-V572 HydrophobicContact CD1-CG1 4.21Å; Y567-V572 HydrophobicContact CD2-CG1 4.25Å; Y567-V572 HydrophobicContact CG-CG1 3.81Å; F568-V572 PolarHBondContact O-N 2.93Å; H569-V572 PolarHBondContact O-N 3.31Å; V572-S574 PolarHBondContact O-N 2.98Å; V572-L575 HydrophobicContact CB-CD1 4.47Å; V572-L575 HydrophobicContact CG1-CD1 4.32Å; V572-L575 WeakPolarHBondContact O-CA 3.17Å; V572-L575 WeakPolarHBondContact O-CB 3.4Å; V572-L575 PolarHBondContact O-N 2.82Å; V572-Y576 PolarHBondContact O-N 3.49Å
573	H	98.7	Very high	97.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-51.8	-53.4	-178.6	168.7	83.7	0	0	0	111.8	F239 S240 E501 T554 H569 L575 Y576	F239-H573 AromaticContact CD2-CD2 3.71Å; F239-H573 AromaticContact CE1-CD2 3.66Å; F239-H573 AromaticContact CE1-NE2 3.8Å; F239-H573 HydrophobicContact CE2-CB 3.81Å; F239-H573 AromaticContact CE2-CD2 3.21Å; F239-H573 WeakPolarHBondContact CE2-CD2 3.4Å; F239-H573 AromaticContact CE2-CG 3.68Å; F239-H573 HydrophobicContact CZ-CB 3.87Å; F239-H573 AromaticContact CZ-CD2 3.18Å; F239-H573 WeakPolarHBondContact CZ-CD2 3.47Å; F239-H573 AromaticContact CZ-CG 3.45Å; F239-H573 VanDerWaalsContact CZ-CG 3.45Å; F239-H573 AromaticContact CZ-NE2 3.81Å; S240-H573 PolarHBondContact O-NE2 3.36Å; S240-H573 PolarHBondContact OG-CD2 2.98Å; S240-H573 PolarHBondContact OG-NE2 3.5Å; E501-H573 PolarHBondContact O-CE1 3.03Å; T554-H573 PolarHBondContact OG1-CE1 3.15Å; T554-H573 PolarHBondContact OG1-ND1 3.06Å; H569-H573 AromaticContact CE1-CG 3.83Å; H569-H573 AromaticContact CE1-ND1 3.29Å; H569-H573 PolarHBondContact CE1-ND1 2.93Å; H569-H573 VanDerWaalsContact CE1-ND1 3.29Å; H569-H573 AromaticContact NE2-CG 3.69Å; H569-H573 AromaticContact NE2-ND1 2.95Å; H569-H573 PolarHBondContact NE2-ND1 3.28Å; H569-H573 WeakPolarHBondContact O-CA 2.97Å; H569-H573 WeakPolarHBondContact O-CB 3.38Å; H569-H573 PolarHBondContact O-N 2.95Å; H573-L575 PolarHBondContact O-N 3.26Å; H573-Y576 VanDerWaalsContact O-CB 3.31Å; H573-Y576 WeakPolarHBondContact O-CB 3.42Å; H573-Y576 PolarHBondContact O-N 3.28Å; H573-Y576 VanDerWaalsContact O-N 3.14Å
574	S	98.5	Very high	97.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-76.3	0.4	179.8	-62.3	0	0	0	0	114.8	S240 V258 V572	S240-S574 PolarHBondContact N-OG 2.91Å; S240-S574 VanDerWaalsContact OG-CA 3.31Å; S240-S574 WeakPolarHBondContact OG-CA 3.3Å; S240-S574 PolarHBondContact OG-OG 3.45Å; V258-S574 WeakPolarHBondContact CG2-OG 3.46Å; V572-S574 PolarHBondContact O-N 2.98Å
575	L	98.7	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-98.8	-7.9	171	-60.2	178.7	0	0	0	112.6	Y146 V148 P149 F150 F471 V572 H573 G577 L578 S579 F604	Y146-L575 WeakPolarHBondContact OH-CD1 3.47Å; V148-L575 HydrophobicContact CG1-CD1 3.97Å; V148-L575 HydrophobicContact CG1-CD2 4.1Å; P149-L575 HydrophobicContact CG-CD1 4.32Å; F150-L575 HydrophobicContact CD2-CD1 4.19Å; F150-L575 HydrophobicContact CD2-CD2 4.36Å; F150-L575 HydrophobicContact CE2-CB 4.17Å; F150-L575 HydrophobicContact CE2-CD1 4.14Å; F150-L575 HydrophobicContact CE2-CD2 4.41Å; F150-L575 HydrophobicContact CE2-CG 4.49Å; F471-L575 HydrophobicContact CZ-CB 3.85Å; F471-L575 HydrophobicContact CZ-CD1 4.38Å; V572-L575 HydrophobicContact CB-CD1 4.47Å; V572-L575 HydrophobicContact CG1-CD1 4.32Å; V572-L575 WeakPolarHBondContact O-CA 3.17Å; V572-L575 WeakPolarHBondContact O-CB 3.4Å; V572-L575 PolarHBondContact O-N 2.82Å; H573-L575 PolarHBondContact O-N 3.26Å; L575-G577 PolarHBondContact O-N 3.35Å; L575-L578 PolarHBondContact O-N 2.92Å; L575-S579 WeakPolarHBondContact O-CB 3.3Å; L575-S579 PolarHBondContact O-N 2.85Å; L575-S579 PolarHBondContact O-OG 3.28Å; L575-F604 HydrophobicContact CD2-CB 4.3Å; L575-F604 HydrophobicContact CD2-CD1 3.37Å; L575-F604 HydrophobicContact CD2-CD2 4Å; L575-F604 HydrophobicContact CD2-CE1 3.57Å; L575-F604 HydrophobicContact CD2-CE2 4.18Å; L575-F604 HydrophobicContact CD2-CG 3.61Å; L575-F604 HydrophobicContact CD2-CZ 4Å
576	Y	98.7	Very high	98.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60	-48.7	-172.5	-172.2	-84.1	0	0	0	111.9	P409 I431 P468 F470 N500 P502 V572 H573 L578 S579 E580	P409-Y576 HydrophobicContact CB-CE1 3.82Å; P409-Y576 WeakPolarHBondContact CB-OH 3.46Å; P409-Y576 HydrophobicContact CG-CE1 3.93Å; I431-Y576 HydrophobicContact CD1-CD2 4.34Å; I431-Y576 HydrophobicContact CD1-CE2 3.8Å; P468-Y576 WeakPolarHBondContact O-CE2 3.24Å; P468-Y576 PolarHBondContact O-OH 3.47Å; F470-Y576 HydrophobicContact CD2-CE1 4.04Å; F470-Y576 HydrophobicContact CD2-CE2 4.12Å; F470-Y576 AromaticContact CD2-CZ 3.78Å; F470-Y576 AromaticContact CE2-CE1 3.82Å; F470-Y576 HydrophobicContact CE2-CE1 3.82Å; F470-Y576 HydrophobicContact CE2-CE2 4.48Å; F470-Y576 AromaticContact CE2-CZ 3.7Å; N500-Y576 HydrophobicContact CB-CD1 4.24Å; N500-Y576 HydrophobicContact CB-CE1 4.37Å; N500-Y576 VanDerWaalsContact O-CD1 3.28Å; N500-Y576 WeakPolarHBondContact O-CD1 3.4Å; P502-Y576 HydrophobicContact CB-CD1 4.32Å; P502-Y576 HydrophobicContact CB-CD2 4.45Å; P502-Y576 HydrophobicContact CB-CE1 4.33Å; P502-Y576 HydrophobicContact CB-CE2 4.48Å; P502-Y576 HydrophobicContact CB-CG 4.35Å; P502-Y576 VanDerWaalsContact CD-CB 3.44Å; P502-Y576 VanDerWaalsContact CD-CG 3.48Å; P502-Y576 HydrophobicContact CG-CD1 4.22Å; P502-Y576 HydrophobicContact CG-CD2 4.05Å; P502-Y576 HydrophobicContact CG-CG 3.85Å; V572-Y576 PolarHBondContact O-N 3.49Å; H573-Y576 VanDerWaalsContact O-CB 3.31Å; H573-Y576 WeakPolarHBondContact O-CB 3.42Å; H573-Y576 PolarHBondContact O-N 3.28Å; H573-Y576 VanDerWaalsContact O-N 3.14Å; Y576-L578 VanDerWaalsContact C-N 3.34Å; Y576-L578 PolarHBondContact O-N 3.19Å; Y576-S579 WeakPolarHBondContact CA-OG 3.35Å; Y576-S579 PolarHBondContact O-N 2.67Å; Y576-S579 PolarHBondContact O-OG 3.07Å; Y576-E580 PolarHBondContact O-N 2.83Å
577	G	98.4	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.6	-44.9	175.8	0	0	0	0	0	113.3	N500 L575 S579 E580 T581	N500-G577 PolarHBondContact O-N 2.96Å; L575-G577 PolarHBondContact O-N 3.35Å; G577-S579 VanDerWaalsContact C-N 3.35Å; G577-S579 PolarHBondContact O-N 3.46Å; G577-E580 PolarHBondContact O-N 2.8Å; G577-T581 WeakPolarHBondContact O-CB 3.17Å; G577-T581 PolarHBondContact O-N 3.4Å; G577-T581 PolarHBondContact O-OG1 2.99Å
578	L	98.2	Very high	98.2	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-43	174.7	174.9	60.8	0	0	0	111.7	F150 L575 Y576 E580 T581 F604 Y610	F150-L578 HydrophobicContact CD1-CD2 3.93Å; F150-L578 HydrophobicContact CD1-CG 4.4Å; F150-L578 HydrophobicContact CD2-CD2 4.09Å; F150-L578 HydrophobicContact CE1-CD2 3.84Å; F150-L578 HydrophobicContact CE1-CG 3.84Å; F150-L578 HydrophobicContact CE2-CD2 4.01Å; F150-L578 HydrophobicContact CE2-CG 4.38Å; F150-L578 HydrophobicContact CG-CD2 4.05Å; F150-L578 HydrophobicContact CZ-CD2 3.88Å; F150-L578 HydrophobicContact CZ-CG 3.83Å; L575-L578 PolarHBondContact O-N 2.92Å; Y576-L578 VanDerWaalsContact C-N 3.34Å; Y576-L578 PolarHBondContact O-N 3.19Å; L578-E580 VanDerWaalsContact C-N 3.28Å; L578-E580 PolarHBondContact O-N 2.88Å; L578-T581 PolarHBondContact O-N 2.84Å; L578-F604 HydrophobicContact CB-CB 4.28Å; L578-F604 HydrophobicContact CD2-CB 4.27Å; L578-F604 HydrophobicContact CD2-CD1 4.38Å; L578-Y610 HydrophobicContact CD1-CD2 4.38Å; L578-Y610 HydrophobicContact CD1-CE2 4.42Å
579	S	98.2	Very high	98.1	Very high	9 Å²	9	10.9 Å²	10.9	6%	0.063	5%	0.052	C	C	.	.	H	α-helix	trans	-65.2	-29.4	-179.7	72.7	0	0	0	0	113.3	F470 L575 Y576 G577 P583	F470-S579 WeakPolarHBondContact CB-O 3.42Å; F470-S579 WeakPolarHBondContact CB-OG 3.47Å; L575-S579 WeakPolarHBondContact O-CB 3.3Å; L575-S579 PolarHBondContact O-N 2.85Å; L575-S579 PolarHBondContact O-OG 3.28Å; Y576-S579 WeakPolarHBondContact CA-OG 3.35Å; Y576-S579 PolarHBondContact O-N 2.67Å; Y576-S579 PolarHBondContact O-OG 3.07Å; G577-S579 VanDerWaalsContact C-N 3.35Å; G577-S579 PolarHBondContact O-N 3.46Å; S579-P583 WeakPolarHBondContact O-CD 3.36Å; S579-P583 VanDerWaalsContact O-CG 3.28Å; S579-P583 WeakPolarHBondContact O-CG 3.47Å
580	E	98.5	Very high	98	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-78	-36.4	172.8	179.3	176.3	-146.4	0	0	112.8	F470 I497 N500 Y576 G577 L578 E582 P583 T584	F470-E580 HydrophobicContact CD1-CB 4.49Å; F470-E580 HydrophobicContact CD2-CB 3.64Å; F470-E580 HydrophobicContact CD2-CG 4.22Å; F470-E580 HydrophobicContact CE1-CB 4.39Å; F470-E580 HydrophobicContact CE1-CG 4.1Å; F470-E580 HydrophobicContact CE2-CB 3.51Å; F470-E580 HydrophobicContact CE2-CG 3.6Å; F470-E580 HydrophobicContact CG-CB 4.14Å; F470-E580 HydrophobicContact CZ-CB 3.91Å; F470-E580 HydrophobicContact CZ-CG 3.53Å; I497-E580 HydrophobicContact CD1-CB 4.42Å; I497-E580 HydrophobicContact CD1-CG 3.9Å; I497-E580 HydrophobicContact CG2-CG 4.38Å; N500-E580 WeakPolarHBondContact CB-OE2 3.44Å; N500-E580 PolarHBondContact ND2-OE2 3.06Å; Y576-E580 PolarHBondContact O-N 2.83Å; G577-E580 PolarHBondContact O-N 2.8Å; L578-E580 VanDerWaalsContact C-N 3.28Å; L578-E580 PolarHBondContact O-N 2.88Å; E580-E582 PolarHBondContact O-N 3.11Å; E580-P583 WeakPolarHBondContact O-CD 3.3Å; E580-T584 VanDerWaalsContact O-CB 3.31Å; E580-T584 WeakPolarHBondContact O-CB 3.25Å; E580-T584 PolarHBondContact O-N 3.15Å; E580-T584 VanDerWaalsContact O-N 3.09Å; E580-T584 PolarHBondContact O-OG1 2.92Å
581	T	98.3	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-52.6	-168	-64.6	0	0	0	0	112.4	G577 L578 T584 L585 L598 Y610 T611	G577-T581 WeakPolarHBondContact O-CB 3.17Å; G577-T581 PolarHBondContact O-N 3.4Å; G577-T581 PolarHBondContact O-OG1 2.99Å; L578-T581 PolarHBondContact O-N 2.84Å; T581-T584 PolarHBondContact O-N 2.84Å; T581-L585 PolarHBondContact O-N 3.38Å; T581-L598 HydrophobicContact CG2-CD2 3.69Å; T581-L598 VanDerWaalsContact O-CD2 3.26Å; T581-L598 WeakPolarHBondContact O-CD2 3.37Å; T581-Y610 VanDerWaalsContact CG2-CB 3.46Å; T581-Y610 HydrophobicContact CG2-CG 4.39Å; T581-T611 HydrophobicContact CG2-CG2 3.47Å; T581-T611 VanDerWaalsContact CG2-CG2 3.47Å
582	E	95.4	Very high	97.9	Very high	76 Å²	76	18.5 Å²	18.5	36%	0.355	9%	0.093	S	C	.	.	H	α-helix	trans	-64.2	-51.5	-176.9	172.3	178.9	-128	0	0	112.3	E580 T584 L585 M586 Y610	E580-E582 PolarHBondContact O-N 3.11Å; E582-T584 PolarHBondContact O-N 2.87Å; E582-L585 PolarHBondContact O-N 2.74Å; E582-M586 HydrophobicContact CG-CE 4.17Å; E582-M586 HydrophobicContact CG-CG 4.38Å; E582-M586 VanDerWaalsContact O-CG 3.27Å; E582-M586 WeakPolarHBondContact O-CG 3.44Å; E582-M586 PolarHBondContact O-N 3.36Å; E582-Y610 HydrophobicContact CB-CD1 4.01Å; E582-Y610 HydrophobicContact CB-CD2 4.32Å; E582-Y610 HydrophobicContact CB-CE1 3.84Å; E582-Y610 HydrophobicContact CB-CE2 4.19Å; E582-Y610 HydrophobicContact CB-CG 4.22Å; E582-Y610 VanDerWaalsContact CD-OH 3.27Å; E582-Y610 HydrophobicContact CG-CD1 4.13Å; E582-Y610 HydrophobicContact CG-CE1 3.64Å; E582-Y610 VanDerWaalsContact OE1-CE1 3.3Å; E582-Y610 WeakPolarHBondContact OE1-CE1 3.18Å; E582-Y610 PolarHBondContact OE1-OH 3.06Å
583	P	97.3	Very high	97.7	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.045	13%	0.125	C	C	.	.	H	α-helix	trans	-48.4	-45	172.2	-33.5	38.7	0	0	0	113.7	T476 S579 E580 A587	T476-P583 HydrophobicContact CG2-CB 3.89Å; T476-P583 HydrophobicContact CG2-CG 3.81Å; S579-P583 WeakPolarHBondContact O-CD 3.36Å; S579-P583 VanDerWaalsContact O-CG 3.28Å; S579-P583 WeakPolarHBondContact O-CG 3.47Å; E580-P583 WeakPolarHBondContact O-CD 3.3Å; P583-A587 WeakPolarHBondContact O-CB 3.49Å; P583-A587 PolarHBondContact O-N 2.04Å
584	T	98.6	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-51.2	-178.2	-60.3	0	0	0	0	111.1	W479 I483 L495 I497 E580 T581 E582 M586 A587 I588 L598	W479-T584 PolarHBondContact NE1-OG1 2.76Å; I483-T584 HydrophobicContact CD1-CG2 3.96Å; L495-T584 HydrophobicContact CD1-CG2 4.46Å; I497-T584 HydrophobicContact CG2-CG2 3.95Å; E580-T584 VanDerWaalsContact O-CB 3.31Å; E580-T584 WeakPolarHBondContact O-CB 3.25Å; E580-T584 PolarHBondContact O-N 3.15Å; E580-T584 VanDerWaalsContact O-N 3.09Å; E580-T584 PolarHBondContact O-OG1 2.92Å; T581-T584 PolarHBondContact O-N 2.84Å; E582-T584 PolarHBondContact O-N 2.87Å; T584-M586 VanDerWaalsContact C-N 3.3Å; T584-M586 PolarHBondContact O-N 3.02Å; T584-A587 WeakPolarHBondContact O-CB 3.48Å; T584-A587 PolarHBondContact O-N 3.31Å; T584-A587 VanDerWaalsContact O-N 3.1Å; T584-I588 HydrophobicContact CG2-CD1 3.8Å; T584-I588 HydrophobicContact CG2-CG1 4.33Å; T584-I588 WeakPolarHBondContact O-CG1 3.46Å; T584-I588 PolarHBondContact O-N 3.2Å; T584-L598 HydrophobicContact CG2-CD1 3.65Å; T584-L598 HydrophobicContact CG2-CD2 4.05Å
585	L	98.1	Very high	97.3	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-44.5	178.6	-179.6	68.2	0	0	0	112	T581 E582 A587 I588 R589 L598 Y610	T581-L585 PolarHBondContact O-N 3.38Å; E582-L585 PolarHBondContact O-N 2.74Å; L585-A587 VanDerWaalsContact C-N 3.31Å; L585-A587 PolarHBondContact O-N 2.9Å; L585-I588 PolarHBondContact O-N 3.08Å; L585-R589 HydrophobicContact CD1-CG 4.34Å; L585-R589 HydrophobicContact CG-CG 4.43Å; L585-R589 WeakPolarHBondContact O-CB 3.35Å; L585-R589 VanDerWaalsContact O-CG 3.3Å; L585-R589 WeakPolarHBondContact O-CG 3.29Å; L585-R589 PolarHBondContact O-N 2.94Å; L585-L598 HydrophobicContact CB-CD2 3.94Å; L585-L598 HydrophobicContact CD1-CB 4.17Å; L585-Y610 HydrophobicContact CD2-CD1 4.07Å; L585-Y610 WeakPolarHBondContact CD2-O 3.45Å
586	M	97.2	Very high	97.1	Very high	63 Å²	63	22.6 Å²	22.6	31%	0.31	13%	0.131	S	C	.	.	H	α-helix	trans	-62	-41.4	178.9	-62.4	-57.2	159.3	0	0	111.3	E582 T584 R589 E590 Y610	E582-M586 HydrophobicContact CG-CE 4.17Å; E582-M586 HydrophobicContact CG-CG 4.38Å; E582-M586 VanDerWaalsContact O-CG 3.27Å; E582-M586 WeakPolarHBondContact O-CG 3.44Å; E582-M586 PolarHBondContact O-N 3.36Å; T584-M586 VanDerWaalsContact C-N 3.3Å; T584-M586 PolarHBondContact O-N 3.02Å; M586-R589 PolarHBondContact O-N 3.32Å; M586-E590 WeakPolarHBondContact O-CB 3.19Å; M586-E590 PolarHBondContact O-N 2.9Å; M586-Y610 HydrophobicContact CE-CD1 4.44Å; M586-Y610 HydrophobicContact CE-CE1 4.27Å
587	A	98.3	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-46	176.3	0	0	0	0	0	112.1	K480 I483 P583 T584 L585 E590 A591	K480-A587 HydrophobicContact CB-CB 4.07Å; K480-A587 HydrophobicContact CG-CB 3.86Å; I483-A587 HydrophobicContact CB-CB 3.71Å; I483-A587 HydrophobicContact CD1-CB 3.68Å; I483-A587 HydrophobicContact CG1-CB 4.29Å; I483-A587 HydrophobicContact CG2-CB 3.58Å; P583-A587 WeakPolarHBondContact O-CB 3.49Å; P583-A587 PolarHBondContact O-N 2.04Å; T584-A587 WeakPolarHBondContact O-CB 3.48Å; T584-A587 PolarHBondContact O-N 3.31Å; T584-A587 VanDerWaalsContact O-N 3.1Å; L585-A587 VanDerWaalsContact C-N 3.31Å; L585-A587 PolarHBondContact O-N 2.9Å; A587-E590 PolarHBondContact O-N 3.26Å; A587-A591 VanDerWaalsContact O-CB 3.31Å; A587-A591 WeakPolarHBondContact O-CB 3.45Å; A587-A591 PolarHBondContact O-N 2.73Å
588	I	98	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-44.6	-178.7	-56.3	160.8	0	0	0	109.9	I483 Y492 L495 T584 L585 E590 A591 T592 S596 L598	I483-I588 HydrophobicContact CG2-CG1 4.23Å; Y492-I588 HydrophobicContact CD2-CG2 4.47Å; Y492-I588 HydrophobicContact CE2-CG2 3.98Å; L495-I588 HydrophobicContact CB-CD1 3.68Å; L495-I588 HydrophobicContact CB-CG1 4.27Å; L495-I588 HydrophobicContact CD1-CD1 3.88Å; L495-I588 HydrophobicContact CD1-CG1 3.57Å; L495-I588 HydrophobicContact CG-CD1 3.83Å; L495-I588 HydrophobicContact CG-CG1 3.84Å; T584-I588 HydrophobicContact CG2-CD1 3.8Å; T584-I588 HydrophobicContact CG2-CG1 4.33Å; T584-I588 WeakPolarHBondContact O-CG1 3.46Å; T584-I588 PolarHBondContact O-N 3.2Å; L585-I588 PolarHBondContact O-N 3.08Å; I588-E590 VanDerWaalsContact C-N 3.31Å; I588-E590 PolarHBondContact O-N 2.83Å; I588-A591 WeakPolarHBondContact O-CB 3.46Å; I588-A591 PolarHBondContact O-N 2.77Å; I588-A591 VanDerWaalsContact O-N 3.14Å; I588-T592 HydrophobicContact CG2-CG2 4.05Å; I588-T592 WeakPolarHBondContact O-CG2 3.26Å; I588-T592 PolarHBondContact O-N 3.47Å; I588-T592 PolarHBondContact O-OG1 2.91Å; I588-S596 WeakPolarHBondContact CG2-OG 3.49Å; I588-L598 HydrophobicContact CD1-CB 4.33Å; I588-L598 HydrophobicContact CD1-CD1 4.02Å
589	R	97	Very high	97.1	Very high	43 Å²	43	23.2 Å²	23.2	16%	0.162	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-40.8	178.2	-73.4	174.9	165.9	175.7	1.2	112.1	L585 M586 G593 S594 R595 T859	L585-R589 HydrophobicContact CD1-CG 4.34Å; L585-R589 HydrophobicContact CG-CG 4.43Å; L585-R589 WeakPolarHBondContact O-CB 3.35Å; L585-R589 VanDerWaalsContact O-CG 3.3Å; L585-R589 WeakPolarHBondContact O-CG 3.29Å; L585-R589 PolarHBondContact O-N 2.94Å; M586-R589 PolarHBondContact O-N 3.32Å; R589-G593 VanDerWaalsContact O-CA 3.3Å; R589-G593 WeakPolarHBondContact O-CA 3.46Å; R589-G593 PolarHBondContact O-N 3.1Å; R589-S594 WeakPolarHBondContact CG-O 3.45Å; R589-R595 WeakPolarHBondContact CG-O 3.42Å; R589-R595 PolarHBondContact NE-O 3.33Å; R589-T859 HydrophobicContact CG-CG2 4.26Å
590	E	97.1	Very high	97.1	Very high	133 Å²	133	22.8 Å²	22.8	62%	0.621	13%	0.131	S	C	*	.	H	α-helix	trans	-67.6	-39.9	174.5	-172.1	-179.8	163.5	0	0	111.6	L484 M586 A587 I588	L484-E590 HydrophobicContact CD2-CB 3.91Å; L484-E590 HydrophobicContact CD2-CG 3.75Å; M586-E590 WeakPolarHBondContact O-CB 3.19Å; M586-E590 PolarHBondContact O-N 2.9Å; A587-E590 PolarHBondContact O-N 3.26Å; I588-E590 VanDerWaalsContact C-N 3.31Å; I588-E590 PolarHBondContact O-N 2.83Å
591	A	97.6	Very high	97.1	Very high	20 Å²	20	22.9 Å²	22.9	17%	0.165	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-38.7	178.5	0	0	0	0	0	113.6	L484 R487 Y492 A587 I588	L484-A591 HydrophobicContact CD2-CB 3.88Å; R487-A591 HydrophobicContact CB-CB 4.04Å; R487-A591 HydrophobicContact CG-CB 4.07Å; Y492-A591 HydrophobicContact CE2-CB 4.33Å; Y492-A591 VanDerWaalsContact OH-CB 3.26Å; Y492-A591 WeakPolarHBondContact OH-CB 3.26Å; A587-A591 VanDerWaalsContact O-CB 3.31Å; A587-A591 WeakPolarHBondContact O-CB 3.45Å; A587-A591 PolarHBondContact O-N 2.73Å; I588-A591 WeakPolarHBondContact O-CB 3.46Å; I588-A591 PolarHBondContact O-N 2.77Å; I588-A591 VanDerWaalsContact O-N 3.14Å
592	T	96.2	Very high	97.1	Very high	32 Å²	32	22.9 Å²	22.9	20%	0.196	13%	0.132	C	C	.	.	H	α-helix	trans	-94.6	-24.1	-175.9	64.1	0	0	0	0	113	Y492 I588 S594	Y492-T592 HydrophobicContact CD2-CG2 4.35Å; Y492-T592 HydrophobicContact CE2-CG2 4.18Å; I588-T592 HydrophobicContact CG2-CG2 4.05Å; I588-T592 WeakPolarHBondContact O-CG2 3.26Å; I588-T592 PolarHBondContact O-N 3.47Å; I588-T592 PolarHBondContact O-OG1 2.91Å; T592-S594 PolarHBondContact O-N 2.79Å; T592-S594 PolarHBondContact OG1-N 3.35Å; T592-S594 PolarHBondContact OG1-OG 2.75Å
593	G	94.5	Very high	97.2	Very high	66 Å²	66	19.2 Å²	19.2	68%	0.68	12%	0.115	S	C	*	.	S	Bend	trans	67.2	21.6	-170.4	0	0	0	0	0	113.5	R589	R589-G593 VanDerWaalsContact O-CA 3.3Å; R589-G593 WeakPolarHBondContact O-CA 3.46Å; R589-G593 PolarHBondContact O-N 3.1Å
594	S	93.9	Very high	97.3	Very high	13 Å²	13	18.9 Å²	18.9	9%	0.091	11%	0.113	C	C	.	.	S	Bend	trans	-131.9	174.4	-178	73.8	0	0	0	0	111.6	R589 T592 S596 E857 T859	R589-S594 WeakPolarHBondContact CG-O 3.45Å; T592-S594 PolarHBondContact O-N 2.79Å; T592-S594 PolarHBondContact OG1-N 3.35Å; T592-S594 PolarHBondContact OG1-OG 2.75Å; S594-S596 PolarHBondContact O-N 2.79Å; S594-S596 PolarHBondContact OG-N 2.86Å; S594-E857 CarbonylContact C-O 3.52Å; S594-E857 WeakPolarHBondContact CA-O 3.48Å; S594-E857 WeakPolarHBondContact CB-O 3.26Å; S594-T859 PolarHBondContact O-OG1 2.99Å; S594-T859 VanDerWaalsContact O-OG1 3.07Å
595	R	94.6	Very high	97.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.008	11%	0.113	C	C	.	.			trans	-57	-35.1	173.3	-169	178.8	-57.6	163.5	1.3	112.5	I327 P328 A329 R589 Y716 D854 E857 M858 T859	I327-R595 WeakPolarHBondContact O-CD 3.35Å; P328-R595 PolarHBondContact O-NH1 2.88Å; A329-R595 HydrophobicContact CB-CB 4.49Å; R589-R595 WeakPolarHBondContact CG-O 3.42Å; R589-R595 PolarHBondContact NE-O 3.33Å; R595-Y716 PolarHBondContact NH1-OH 3.28Å; R595-D854 IonicContact CZ-OD2 2.67Å; R595-D854 IonicContact NH1-OD2 3.31Å; R595-D854 IonicContact NH2-OD2 2.84Å; R595-D854 PolarHBondContact NH2-OD2 3.27Å; R595-E857 WeakPolarHBondContact CB-O 3.28Å; R595-E857 PolarHBondContact N-O 2.71Å; R595-M858 PolarHBondContact NE-O 2.98Å; R595-M858 PolarHBondContact NH2-O 2.95Å; R595-T859 PolarHBondContact N-OG1 3.15Å
596	S	95.7	Very high	97.3	Very high	6 Å²	6	19 Å²	19	4%	0.042	11%	0.114	C	C	.	.			trans	61.4	-171.9	178.1	-156.7	0	0	0	0	114.7	D493 I588 S594	D493-S596 PolarHBondContact O-OG 3.28Å; I588-S596 WeakPolarHBondContact CG2-OG 3.49Å; S594-S596 PolarHBondContact O-N 2.79Å; S594-S596 PolarHBondContact OG-N 2.86Å
597	F	97.3	Very high	97.3	Very high	10 Å²	10	16 Å²	16	4%	0.044	10%	0.099	C	C	.	.			trans	-139.3	135	179.5	174.9	-104.9	0	0	0	110.2	W331 Y366 V404 G494 L495 L599 F642 F671	W331-F597 HydrophobicContact CH2-CB 3.35Å; W331-F597 HydrophobicContact CH2-CG 4.13Å; W331-F597 HydrophobicContact CZ2-CB 3.79Å; W331-F597 HydrophobicContact CZ3-CB 4.16Å; Y366-F597 VanDerWaalsContact OH-CE1 3.28Å; Y366-F597 WeakPolarHBondContact OH-CE1 3.47Å; V404-F597 HydrophobicContact CG1-CD1 4.26Å; V404-F597 HydrophobicContact CG1-CE1 4.32Å; V404-F597 HydrophobicContact CG2-CD1 3.75Å; V404-F597 HydrophobicContact CG2-CE1 4.28Å; G494-F597 CarbonylContact C-O 3.57Å; G494-F597 WeakPolarHBondContact CA-O 3.4Å; L495-F597 PolarHBondContact N-O 3.31Å; L495-F597 VanDerWaalsContact N-O 3.08Å; F597-L599 HydrophobicContact CE1-CB 3.77Å; F597-L599 HydrophobicContact CZ-CB 3.71Å; F597-L599 HydrophobicContact CZ-CD1 4.24Å; F597-L599 HydrophobicContact CZ-CG 4.42Å; F597-F642 HydrophobicContact CD2-CE1 4.25Å; F597-F642 HydrophobicContact CD2-CZ 4.43Å; F597-F642 AromaticContact CE2-CD1 3.92Å; F597-F642 HydrophobicContact CE2-CD1 3.92Å; F597-F642 AromaticContact CE2-CE1 3.25Å; F597-F642 HydrophobicContact CE2-CE1 3.25Å; F597-F642 AromaticContact CE2-CZ 3.76Å; F597-F642 HydrophobicContact CE2-CZ 3.76Å; F597-F642 AromaticContact CZ-CE1 3.84Å; F597-F642 HydrophobicContact CZ-CE1 3.84Å; F597-F671 HydrophobicContact CZ-CD2 4.39Å; F597-F671 HydrophobicContact CZ-CE2 4.03Å
598	L	98.7	Very high	97.3	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.9	170.2	-178.8	57.9	0	0	0	108.8	L495 I497 T581 T584 L585 I588 T611 G612	L495-L598 HydrophobicContact CB-CD1 4.48Å; L495-L598 WeakPolarHBondContact O-CA 3.48Å; I497-L598 HydrophobicContact CD1-CD1 4.23Å; I497-L598 HydrophobicContact CD1-CD2 4.38Å; I497-L598 HydrophobicContact CG1-CD1 4.07Å; I497-L598 HydrophobicContact CG2-CD1 4.26Å; T581-L598 HydrophobicContact CG2-CD2 3.69Å; T581-L598 VanDerWaalsContact O-CD2 3.26Å; T581-L598 WeakPolarHBondContact O-CD2 3.37Å; T584-L598 HydrophobicContact CG2-CD1 3.65Å; T584-L598 HydrophobicContact CG2-CD2 4.05Å; L585-L598 HydrophobicContact CB-CD2 3.94Å; L585-L598 HydrophobicContact CD1-CB 4.17Å; I588-L598 HydrophobicContact CD1-CB 4.33Å; I588-L598 HydrophobicContact CD1-CD1 4.02Å; L598-T611 VanDerWaalsContact C-OG1 3.28Å; L598-T611 PolarHBondContact O-OG1 3.42Å; L598-G612 PolarHBondContact O-N 3.11Å; L598-G612 VanDerWaalsContact O-N 3.09Å
599	L	98.7	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.4	173.4	-175.9	68.6	0	0	0	108.8	L495 W496 I497 F597 T611 W614 F671	L495-L599 PolarHBondContact O-N 3.44Å; W496-L599 CarbonylContact C-O 3.59Å; W496-L599 WeakPolarHBondContact CA-O 3.04Å; W496-L599 HydrophobicContact CB-CB 4.32Å; W496-L599 HydrophobicContact CG-CB 4.47Å; W496-L599 HydrophobicContact CG-CD2 4.09Å; I497-L599 WeakPolarHBondContact CG1-O 3.13Å; I497-L599 PolarHBondContact N-O 2.99Å; F597-L599 HydrophobicContact CE1-CB 3.77Å; F597-L599 HydrophobicContact CZ-CB 3.71Å; F597-L599 HydrophobicContact CZ-CD1 4.24Å; F597-L599 HydrophobicContact CZ-CG 4.42Å; L599-T611 WeakPolarHBondContact CA-OG1 3.02Å; L599-W614 HydrophobicContact CD1-CB 4.34Å; L599-W614 HydrophobicContact CD1-CE3 4Å; L599-W614 HydrophobicContact CD2-CD2 4.28Å; L599-W614 HydrophobicContact CD2-CE3 3.73Å; L599-W614 HydrophobicContact CD2-CZ3 4.25Å; L599-W614 HydrophobicContact CG-CD2 4.46Å; L599-W614 HydrophobicContact CG-CE3 3.51Å; L599-W614 HydrophobicContact CG-CZ3 3.95Å; L599-F671 HydrophobicContact CD1-CD1 4.21Å; L599-F671 HydrophobicContact CD1-CE1 3.91Å; L599-F671 HydrophobicContact CD1-CE2 4.47Å; L599-F671 HydrophobicContact CD1-CZ 4.02Å; L599-F671 HydrophobicContact CD2-CE1 3.83Å; L599-F671 HydrophobicContact CD2-CE2 4.34Å; L599-F671 HydrophobicContact CD2-CZ 3.48Å; L599-F671 VanDerWaalsContact CD2-CZ 3.48Å; L599-F671 HydrophobicContact CG-CZ 4.39Å
600	S	98.6	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.5	-179.8	-171.9	0	0	0	0	112.1	N500 S602 T611 G612 H613	N500-S600 PolarHBondContact ND2-OG 3.07Å; S600-S602 PolarHBondContact OG-O 2.92Å; S600-T611 PolarHBondContact N-OG1 3.26Å; S600-T611 VanDerWaalsContact N-OG1 3.16Å; S600-G612 PolarHBondContact N-O 3.47Å; S600-H613 WeakPolarHBondContact O-CA 3.49Å; S600-H613 PolarHBondContact O-ND1 2.99Å
601	R	97.8	Very high	97.3	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.008	8%	0.081	C	C	.	.	S	Bend	trans	-77.8	-58.2	174.2	-147.8	166.7	55.2	-179.1	13.8	109.2	D242 Y256 I497 D498 M499 E501 H613 W614	D242-R601 IonicContact OD1-CZ 2.77Å; D242-R601 IonicContact OD1-NH1 2.94Å; D242-R601 IonicContact OD1-NH2 2.72Å; D242-R601 PolarHBondContact OD1-NH2 3.37Å; Y256-R601 HydrophobicContact CD1-CG 3.56Å; Y256-R601 VanDerWaalsContact CD1-NE 3.34Å; Y256-R601 HydrophobicContact CD2-CG 4.35Å; Y256-R601 VanDerWaalsContact CE1-CD 3.47Å; Y256-R601 HydrophobicContact CE1-CG 4.11Å; Y256-R601 HydrophobicContact CG-CG 3.65Å; I497-R601 PolarHBondContact O-N 3.4Å; D498-R601 WeakPolarHBondContact OD1-CD 3.17Å; D498-R601 IonicContact OD1-CZ 3.89Å; D498-R601 IonicContact OD1-NE 3.04Å; D498-R601 PolarHBondContact OD1-NE 2.73Å; D498-R601 IonicContact OD1-NH1 2.66Å; D498-R601 PolarHBondContact OD1-NH1 3.46Å; D498-R601 IonicContact OD1-NH2 3.78Å; D498-R601 IonicContact OD2-NH1 3.44Å; M499-R601 PolarHBondContact SD-NH1 3.15Å; M499-R601 PolarHBondContact SD-NH2 3.47Å; M499-R601 VanDerWaalsContact SD-NH2 3.41Å; E501-R601 VanDerWaalsContact OE1-C 3.24Å; E501-R601 VanDerWaalsContact OE1-CB 3.28Å; E501-R601 WeakPolarHBondContact OE1-CB 3.37Å; E501-R601 WeakPolarHBondContact OE1-CG 3.45Å; E501-R601 IonicContact OE1-NE 2.75Å; E501-R601 IonicContact OE2-CZ 2.72Å; E501-R601 IonicContact OE2-NE 3.54Å; E501-R601 PolarHBondContact OE2-NE 3.39Å; E501-R601 IonicContact OE2-NH2 3.89Å; E501-R601 PolarHBondContact OE2-NH2 2.99Å; R601-H613 PolarHBondContact O-CE1 3.22Å; R601-H613 PolarHBondContact O-ND1 3.09Å; R601-W614 VanDerWaalsContact CA-CH2 3.47Å; R601-W614 HydrophobicContact CB-CE3 4.43Å; R601-W614 HydrophobicContact CB-CH2 3.11Å; R601-W614 HydrophobicContact CB-CZ2 3.7Å; R601-W614 HydrophobicContact CB-CZ3 3.62Å; R601-W614 HydrophobicContact CG-CD2 4.47Å; R601-W614 HydrophobicContact CG-CH2 3.39Å; R601-W614 HydrophobicContact CG-CZ2 3.37Å; R601-W614 HydrophobicContact CG-CZ3 4.07Å
602	S	98.4	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-81.8	131.4	-178.3	-167.1	0	0	0	0	110.3	Y256 N500 E501 S600	Y256-S602 PolarHBondContact O-OG 3.37Å; N500-S602 WeakPolarHBondContact O-CB 3.28Å; N500-S602 VanDerWaalsContact OD1-CB 3.23Å; N500-S602 WeakPolarHBondContact OD1-CB 3.21Å; N500-S602 PolarHBondContact OD1-N 2.97Å; E501-S602 WeakPolarHBondContact OE1-CA 3.49Å; E501-S602 WeakPolarHBondContact OE1-CB 3.34Å; E501-S602 PolarHBondContact OE1-N 3.48Å; S600-S602 PolarHBondContact OG-O 2.92Å
603	T	98.6	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.			trans	-140.7	155	179.2	61.1	0	0	0	0	111.9	G257 V258 H259 H613 I640	G257-T603 VanDerWaalsContact CA-O 3.26Å; G257-T603 WeakPolarHBondContact CA-O 3.21Å; V258-T603 PolarHBondContact N-O 3.44Å; H259-T603 PolarHBondContact NE2-OG1 2.57Å; T603-H613 HydrophobicContact CG2-CB 4.18Å; T603-I640 HydrophobicContact CG2-CD1 3.81Å
604	F	98.6	Very high	97.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.			trans	-137.7	161.8	174	-164.3	-102.3	0	0	0	107.4	V148 V258 W277 N278 L575 L578 T606 S607	V148-F604 HydrophobicContact CG1-CE1 4.4Å; V258-F604 HydrophobicContact CB-CD2 4.02Å; V258-F604 HydrophobicContact CB-CE2 4.29Å; V258-F604 HydrophobicContact CG1-CD2 4.11Å; V258-F604 HydrophobicContact CG1-CE2 3.86Å; V258-F604 WeakPolarHBondContact O-CD2 3.39Å; W277-F604 HydrophobicContact CE3-CE1 4.04Å; W277-F604 HydrophobicContact CH2-CD1 4.27Å; W277-F604 AromaticContact CH2-CE1 3.84Å; W277-F604 HydrophobicContact CH2-CE1 3.84Å; W277-F604 HydrophobicContact CZ3-CD1 4.12Å; W277-F604 AromaticContact CZ3-CE1 3.48Å; W277-F604 HydrophobicContact CZ3-CE1 3.48Å; W277-F604 VanDerWaalsContact CZ3-CE1 3.48Å; W277-F604 HydrophobicContact CZ3-CZ 4.42Å; N278-F604 WeakPolarHBondContact O-CZ 3.12Å; L575-F604 HydrophobicContact CD2-CB 4.3Å; L575-F604 HydrophobicContact CD2-CD1 3.37Å; L575-F604 HydrophobicContact CD2-CD2 4Å; L575-F604 HydrophobicContact CD2-CE1 3.57Å; L575-F604 HydrophobicContact CD2-CE2 4.18Å; L575-F604 HydrophobicContact CD2-CG 3.61Å; L575-F604 HydrophobicContact CD2-CZ 4Å; L578-F604 HydrophobicContact CB-CB 4.28Å; L578-F604 HydrophobicContact CD2-CB 4.27Å; L578-F604 HydrophobicContact CD2-CD1 4.38Å; F604-T606 PolarHBondContact O-N 3.02Å; F604-S607 PolarHBondContact N-OG 3.09Å; F604-S607 VanDerWaalsContact N-OG 3.13Å; F604-S607 VanDerWaalsContact O-CB 3.25Å; F604-S607 WeakPolarHBondContact O-CB 3.25Å; F604-S607 PolarHBondContact O-N 2.72Å; F604-S607 PolarHBondContact O-OG 3.5Å
605	P	98.4	Very high	97.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	140.7	173.2	-21.3	22.4	0	0	0	110.9	V258 L275 W277 Y318 I322	V258-P605 WeakPolarHBondContact O-CD 3.23Å; L275-P605 HydrophobicContact CD1-CG 4.2Å; W277-P605 HydrophobicContact CZ3-CB 4.02Å; W277-P605 HydrophobicContact CZ3-CG 4.39Å; Y318-P605 WeakPolarHBondContact OH-CB 3.36Å; Y318-P605 WeakPolarHBondContact OH-CG 3.42Å; I322-P605 HydrophobicContact CB-CB 4.39Å; I322-P605 HydrophobicContact CD1-CB 4.17Å; I322-P605 HydrophobicContact CG2-CB 3.9Å
606	T	97.7	Very high	97.8	Very high	6 Å²	6	6.8 Å²	6.8	4%	0.037	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-23.9	-166.2	-46.6	0	0	0	0	114.7	I322 F604 G608 R609 Y610	I322-T606 WeakPolarHBondContact O-CA 3.48Å; I322-T606 PolarHBondContact O-OG1 3.5Å; F604-T606 PolarHBondContact O-N 3.02Å; T606-G608 VanDerWaalsContact C-N 3.25Å; T606-G608 PolarHBondContact O-N 3.45Å; T606-G608 VanDerWaalsContact O-N 3.15Å; T606-R609 WeakPolarHBondContact O-CB 3.45Å; T606-R609 WeakPolarHBondContact O-CG 3.43Å; T606-R609 PolarHBondContact O-N 2.9Å; T606-Y610 HydrophobicContact CG2-CE2 4.2Å
607	S	98.4	Very high	97.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-56	-35.5	-178.2	-73	0	0	0	0	113.9	F604 R609 Y610 T611	F604-S607 PolarHBondContact N-OG 3.09Å; F604-S607 VanDerWaalsContact N-OG 3.13Å; F604-S607 VanDerWaalsContact O-CB 3.25Å; F604-S607 WeakPolarHBondContact O-CB 3.25Å; F604-S607 PolarHBondContact O-N 2.72Å; F604-S607 PolarHBondContact O-OG 3.5Å; S607-R609 PolarHBondContact O-N 2.63Å; S607-Y610 PolarHBondContact O-N 3.39Å; S607-T611 PolarHBondContact O-N 2.8Å; S607-T611 VanDerWaalsContact O-N 3.11Å
608	G	98	Very high	97.8	Very high	5 Å²	5	7.3 Å²	7.3	5%	0.052	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.7	-177.7	0	0	0	0	0	115.3	P325 T326 T606 Y610 G639	P325-G608 CarbonylContact C-O 3.47Å; P325-G608 VanDerWaalsContact CA-O 3.24Å; P325-G608 WeakPolarHBondContact CA-O 3.14Å; T326-G608 PolarHBondContact N-O 2.72Å; T606-G608 VanDerWaalsContact C-N 3.25Å; T606-G608 PolarHBondContact O-N 3.45Å; T606-G608 VanDerWaalsContact O-N 3.15Å; G608-Y610 PolarHBondContact O-N 3.32Å; G608-G639 WeakPolarHBondContact CA-O 3.4Å
609	R	96.3	Very high	97.7	Very high	66 Å²	66	9.8 Å²	9.8	25%	0.249	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-65.1	-15.1	171.8	-64.8	172.6	64.7	-149.7	-11.8	113.3	I322 K324 T326 T606 S607	I322-R609 WeakPolarHBondContact O-CD 3.1Å; K324-R609 WeakPolarHBondContact O-CG 3.45Å; T326-R609 WeakPolarHBondContact CB-O 3.4Å; T606-R609 WeakPolarHBondContact O-CB 3.45Å; T606-R609 WeakPolarHBondContact O-CG 3.43Å; T606-R609 PolarHBondContact O-N 2.9Å; S607-R609 PolarHBondContact O-N 2.63Å
610	Y	97.6	Very high	97.7	Very high	19 Å²	19	10.5 Å²	10.5	8%	0.075	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-31.5	-168.2	-52.3	-71.9	0	0	0	113.7	L578 T581 E582 L585 M586 T606 S607 G608	L578-Y610 HydrophobicContact CD1-CD2 4.38Å; L578-Y610 HydrophobicContact CD1-CE2 4.42Å; T581-Y610 VanDerWaalsContact CG2-CB 3.46Å; T581-Y610 HydrophobicContact CG2-CG 4.39Å; E582-Y610 HydrophobicContact CB-CD1 4.01Å; E582-Y610 HydrophobicContact CB-CD2 4.32Å; E582-Y610 HydrophobicContact CB-CE1 3.84Å; E582-Y610 HydrophobicContact CB-CE2 4.19Å; E582-Y610 HydrophobicContact CB-CG 4.22Å; E582-Y610 VanDerWaalsContact CD-OH 3.27Å; E582-Y610 HydrophobicContact CG-CD1 4.13Å; E582-Y610 HydrophobicContact CG-CE1 3.64Å; E582-Y610 VanDerWaalsContact OE1-CE1 3.3Å; E582-Y610 WeakPolarHBondContact OE1-CE1 3.18Å; E582-Y610 PolarHBondContact OE1-OH 3.06Å; L585-Y610 HydrophobicContact CD2-CD1 4.07Å; L585-Y610 WeakPolarHBondContact CD2-O 3.45Å; M586-Y610 HydrophobicContact CE-CD1 4.44Å; M586-Y610 HydrophobicContact CE-CE1 4.27Å; T606-Y610 HydrophobicContact CG2-CE2 4.2Å; S607-Y610 PolarHBondContact O-N 3.39Å; G608-Y610 PolarHBondContact O-N 3.32Å
611	T	98.4	Very high	97.6	Very high	6 Å²	6	12 Å²	12	4%	0.037	6%	0.06	C	C	.	.			trans	-142.7	155.7	-169.9	-170	0	0	0	0	112.8	T581 L598 L599 S600 S607	T581-T611 HydrophobicContact CG2-CG2 3.47Å; T581-T611 VanDerWaalsContact CG2-CG2 3.47Å; L598-T611 VanDerWaalsContact C-OG1 3.28Å; L598-T611 PolarHBondContact O-OG1 3.42Å; L599-T611 WeakPolarHBondContact CA-OG1 3.02Å; S600-T611 PolarHBondContact N-OG1 3.26Å; S600-T611 VanDerWaalsContact N-OG1 3.16Å; S607-T611 PolarHBondContact O-N 2.8Å; S607-T611 VanDerWaalsContact O-N 3.11Å
612	G	98.4	Very high	97.6	Very high	4 Å²	4	13.8 Å²	13.8	4%	0.041	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	177.3	155.9	0	0	0	0	0	111.9	L598 S600 F642	L598-G612 PolarHBondContact O-N 3.11Å; L598-G612 VanDerWaalsContact O-N 3.09Å; S600-G612 PolarHBondContact N-O 3.47Å; G612-F642 CarbonylContact C-O 3.56Å; G612-F642 WeakPolarHBondContact CA-O 3.36Å
613	H	98.6	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.6	179.2	174.5	71.7	0	0	0	110.5	E220 S600 R601 T603 F635 I640 F642 V643	E220-H613 IonicContact OE1-CE1 3.03Å; E220-H613 IonicContact OE1-NE2 3.88Å; E220-H613 IonicContact OE2-CE1 3.93Å; E220-H613 IonicContact OE2-NE2 3.02Å; S600-H613 WeakPolarHBondContact O-CA 3.49Å; S600-H613 PolarHBondContact O-ND1 2.99Å; R601-H613 PolarHBondContact O-CE1 3.22Å; R601-H613 PolarHBondContact O-ND1 3.09Å; T603-H613 HydrophobicContact CG2-CB 4.18Å; H613-F635 HydrophobicContact CB-CD1 4.29Å; H613-F635 HydrophobicContact CB-CE1 4.18Å; H613-F635 AromaticContact CD2-CD1 3.62Å; H613-F635 AromaticContact CD2-CD2 3.94Å; H613-F635 AromaticContact CD2-CE1 3.17Å; H613-F635 WeakPolarHBondContact CD2-CE1 3.47Å; H613-F635 AromaticContact CD2-CE2 3.53Å; H613-F635 AromaticContact CD2-CG 3.98Å; H613-F635 AromaticContact CD2-CZ 3.13Å; H613-F635 WeakPolarHBondContact CD2-CZ 3.34Å; H613-F635 AromaticContact CE1-CZ 3.79Å; H613-F635 AromaticContact CG-CE1 3.61Å; H613-F635 AromaticContact CG-CZ 3.93Å; H613-F635 AromaticContact NE2-CE1 3.58Å; H613-F635 AromaticContact NE2-CE2 3.47Å; H613-F635 WeakPolarHBondContact NE2-CE2 3.22Å; H613-F635 AromaticContact NE2-CZ 3.04Å; H613-F635 WeakPolarHBondContact NE2-CZ 3.49Å; H613-I640 HydrophobicContact CB-CG2 3.93Å; H613-F642 PolarHBondContact N-O 3.32Å; H613-V643 VanDerWaalsContact O-CA 3.29Å; H613-V643 WeakPolarHBondContact O-CA 3.27Å
614	W	97.9	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.1	167.1	82.3	104	0	0	0	109.2	W496 D498 L599 R601 G616 G644 F671	W496-W614 AromaticContact CD1-CH2 3.61Å; W496-W614 AromaticContact CD1-CZ3 3.41Å; W496-W614 VanDerWaalsContact CD1-CZ3 3.41Å; W496-W614 AromaticContact CE2-CH2 3.62Å; W496-W614 AromaticContact CE2-CZ2 3.74Å; W496-W614 AromaticContact CZ2-CH2 3.97Å; W496-W614 HydrophobicContact CZ2-CH2 3.97Å; W496-W614 AromaticContact CZ2-CZ2 3.61Å; W496-W614 HydrophobicContact CZ2-CZ2 3.61Å; W496-W614 AromaticContact NE1-CE3 3.88Å; W496-W614 AromaticContact NE1-CH2 2.73Å; W496-W614 AromaticContact NE1-CZ2 3.32Å; W496-W614 VanDerWaalsContact NE1-CZ2 3.32Å; W496-W614 AromaticContact NE1-CZ3 3Å; D498-W614 HydrophobicContact CB-CH2 4.22Å; L599-W614 HydrophobicContact CD1-CB 4.34Å; L599-W614 HydrophobicContact CD1-CE3 4Å; L599-W614 HydrophobicContact CD2-CD2 4.28Å; L599-W614 HydrophobicContact CD2-CE3 3.73Å; L599-W614 HydrophobicContact CD2-CZ3 4.25Å; L599-W614 HydrophobicContact CG-CD2 4.46Å; L599-W614 HydrophobicContact CG-CE3 3.51Å; L599-W614 HydrophobicContact CG-CZ3 3.95Å; R601-W614 VanDerWaalsContact CA-CH2 3.47Å; R601-W614 HydrophobicContact CB-CE3 4.43Å; R601-W614 HydrophobicContact CB-CH2 3.11Å; R601-W614 HydrophobicContact CB-CZ2 3.7Å; R601-W614 HydrophobicContact CB-CZ3 3.62Å; R601-W614 HydrophobicContact CG-CD2 4.47Å; R601-W614 HydrophobicContact CG-CH2 3.39Å; R601-W614 HydrophobicContact CG-CZ2 3.37Å; R601-W614 HydrophobicContact CG-CZ3 4.07Å; W614-G616 VanDerWaalsContact CD1-CA 3.48Å; W614-G616 PolarHBondContact O-N 3.19Å; W614-G644 VanDerWaalsContact CA-O 3.28Å; W614-G644 WeakPolarHBondContact CA-O 3.47Å; W614-F671 HydrophobicContact CB-CD1 4.09Å; W614-F671 HydrophobicContact CB-CE1 3.74Å
615	L	97.1	Very high	97.5	Very high	14 Å²	14	15.3 Å²	15.3	7%	0.073	8%	0.077	C	C	.	.			trans	-73.8	22.4	-172.2	-59.5	175.3	0	0	0	113.9	F635 V643 G644 A645	L615-F635 HydrophobicContact CD2-CD2 3.63Å; L615-F635 HydrophobicContact CD2-CE2 3.68Å; L615-V643 HydrophobicContact CD2-CG2 3.86Å; L615-V643 HydrophobicContact CG-CG2 4.09Å; L615-G644 PolarHBondContact N-O 3.19Å; L615-A645 HydrophobicContact CB-CB 4.39Å; L615-A645 HydrophobicContact CD1-CB 4.19Å
616	G	94.6	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.			trans	72.9	-158.4	176.1	0	0	0	0	0	116.1	W614 N618	W614-G616 VanDerWaalsContact CD1-CA 3.48Å; W614-G616 PolarHBondContact O-N 3.19Å; G616-N618 PolarHBondContact O-N 2.03Å; G616-N618 PolarHBondContact O-OD1 3.27Å
617	D	96.1	Very high	97.4	Very high	22 Å²	22	19.4 Å²	19.4	12%	0.118	10%	0.096	C	C	.	.	S	Bend	trans	-85.3	59.8	-166.3	-61.8	-9.1	0	0	0	111.6	P244 Y256 F650 N651	P244-D617 HydrophobicContact CB-CB 4.29Å; P244-D617 HydrophobicContact CG-CB 4.22Å; Y256-D617 PolarHBondContact OH-N 2.86Å; D617-F650 HydrophobicContact CB-CB 4.35Å; D617-F650 HydrophobicContact CB-CD1 3.6Å; D617-F650 HydrophobicContact CB-CE1 4.11Å; D617-F650 HydrophobicContact CB-CG 4.11Å; D617-N651 PolarHBondContact O-ND2 3.2Å
618	N	97.2	Very high	97.4	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.027	10%	0.097	C	C	.	.			trans	-60.1	146.8	-177.8	58.7	-84.8	0	0	0	112.7	P245 G616 D624 D646 G649 F650 N651 W662	P245-N618 HydrophobicContact CG-CB 3.9Å; G616-N618 PolarHBondContact O-N 2.03Å; G616-N618 PolarHBondContact O-OD1 3.27Å; N618-D624 HydrophobicContact CB-CB 4.28Å; N618-D646 PolarHBondContact ND2-O 2.76Å; N618-D646 VanDerWaalsContact ND2-O 3.08Å; N618-D646 WeakPolarHBondContact OD1-CB 3.47Å; N618-D646 PolarHBondContact OD1-N 3.13Å; N618-G649 WeakPolarHBondContact ND2-CA 3.12Å; N618-F650 WeakPolarHBondContact O-CA 3.42Å; N618-F650 PolarHBondContact O-N 3.26Å; N618-N651 PolarHBondContact O-N 3.4Å; N618-N651 VanDerWaalsContact O-N 3.15Å; N618-W662 WeakPolarHBondContact ND2-CH2 3.08Å; N618-W662 WeakPolarHBondContact ND2-CZ2 3.43Å
619	F	97	Very high	97.4	Very high	56 Å²	56	19.3 Å²	19.3	25%	0.246	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-77.2	154.4	178.8	-68.9	-97.4	0	0	0	111.6	P244 P245 T621 D624 N651	P244-F619 HydrophobicContact CB-CE2 3.83Å; P244-F619 HydrophobicContact CB-CZ 4.29Å; P245-F619 WeakPolarHBondContact O-CD2 3.29Å; P245-F619 WeakPolarHBondContact O-CE2 3.4Å; F619-T621 HydrophobicContact CB-CG2 3.84Å; F619-T621 PolarHBondContact O-N 2.97Å; F619-D624 PolarHBondContact N-OD1 3.41Å; F619-D624 VanDerWaalsContact O-CB 3.23Å; F619-D624 WeakPolarHBondContact O-CB 3.37Å; F619-N651 HydrophobicContact CB-CB 4.43Å; F619-N651 HydrophobicContact CD1-CB 3.32Å; F619-N651 HydrophobicContact CE1-CB 3.54Å; F619-N651 HydrophobicContact CG-CB 3.87Å; F619-N651 HydrophobicContact CZ-CB 4.24Å
620	S	97.3	Very high	97.4	Very high	15 Å²	15	16.6 Å²	16.6	11%	0.105	9%	0.085	C	C	.	.	S	Bend	trans	-74.1	57.2	175	-58	0	0	0	0	111.6	C648 G649 N651 G652 L658	S620-C648 WeakPolarHBondContact CB-O 3.41Å; S620-C648 PolarHBondContact OG-O 3.14Å; S620-G649 WeakPolarHBondContact OG-CA 3.39Å; S620-N651 PolarHBondContact N-O 2.94Å; S620-N651 PolarHBondContact OG-O 3.37Å; S620-G652 VanDerWaalsContact CB-O 3.29Å; S620-G652 WeakPolarHBondContact CB-O 3.36Å; S620-G652 PolarHBondContact OG-O 3.02Å; S620-L658 VanDerWaalsContact C-CD2 3.47Å; S620-L658 VanDerWaalsContact O-CD2 3.22Å; S620-L658 WeakPolarHBondContact O-CD2 3.44Å
621	T	97.5	Very high	97.4	Very high	32 Å²	32	16.1 Å²	16.1	20%	0.196	9%	0.086	C	C	.	.	S	Bend	trans	-129.3	159.6	-177.1	85.8	0	0	0	0	113	F619 P623 D624 M625	F619-T621 HydrophobicContact CB-CG2 3.84Å; F619-T621 PolarHBondContact O-N 2.97Å; T621-P623 WeakPolarHBondContact OG1-CD 3.38Å; T621-D624 PolarHBondContact O-N 3.29Å; T621-D624 PolarHBondContact OG1-N 3.16Å; T621-D624 PolarHBondContact OG1-OD2 3.06Å; T621-M625 PolarHBondContact O-N 2.86Å; T621-M625 VanDerWaalsContact O-N 3.15Å
622	W	98.1	Very high	97.4	Very high	40 Å²	40	15.8 Å²	15.8	15%	0.152	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-42.6	175.3	-67.4	90	0	0	0	113.6	D624 M625 R626 E657 L658 R661 E763 P764	W622-D624 VanDerWaalsContact C-N 3.33Å; W622-D624 PolarHBondContact O-N 3.13Å; W622-M625 HydrophobicContact CD2-CE 4.39Å; W622-M625 HydrophobicContact CE3-CE 3.33Å; W622-M625 HydrophobicContact CZ3-CE 3.47Å; W622-M625 VanDerWaalsContact CZ3-CE 3.47Å; W622-M625 PolarHBondContact O-N 3.46Å; W622-R626 WeakPolarHBondContact O-CG 3.21Å; W622-R626 PolarHBondContact O-N 3.25Å; W622-E657 HydrophobicContact CH2-CG 4.11Å; W622-E657 HydrophobicContact CZ2-CG 4.09Å; W622-L658 HydrophobicContact CD2-CD1 3.74Å; W622-L658 HydrophobicContact CE3-CD1 4.05Å; W622-L658 HydrophobicContact CG-CD1 4.03Å; W622-L658 HydrophobicContact CZ2-CB 4.16Å; W622-L658 HydrophobicContact CZ2-CD1 4.34Å; W622-L658 HydrophobicContact CZ3-CD1 4.48Å; W622-R661 HydrophobicContact CH2-CB 4.12Å; W622-R661 HydrophobicContact CH2-CG 3.62Å; W622-R661 HydrophobicContact CZ3-CB 4.12Å; W622-R661 HydrophobicContact CZ3-CG 3.93Å; W622-E763 WeakPolarHBondContact CH2-O 3.31Å; W622-E763 WeakPolarHBondContact CZ3-O 3.4Å; W622-P764 HydrophobicContact CD2-CB 4.43Å; W622-P764 HydrophobicContact CH2-CB 4.14Å; W622-P764 VanDerWaalsContact CZ2-CA 3.46Å; W622-P764 HydrophobicContact CZ2-CB 3.53Å; W622-P764 HydrophobicContact CZ2-CG 4.44Å
623	P	97.2	Very high	97.4	Very high	28 Å²	28	15.6 Å²	15.6	18%	0.182	8%	0.082	C	C	.	.	H	α-helix	trans	-52.8	-44.9	170.8	-29.3	35.2	0	0	0	114.2	S247 E248 T621 R626 A627	S247-P623 WeakPolarHBondContact O-CB 3.04Å; E248-P623 HydrophobicContact CG-CG 4.35Å; T621-P623 WeakPolarHBondContact OG1-CD 3.38Å; P623-R626 WeakPolarHBondContact O-CB 3.36Å; P623-R626 PolarHBondContact O-N 3.48Å; P623-R626 VanDerWaalsContact O-N 3.15Å; P623-A627 WeakPolarHBondContact O-CB 3.31Å; P623-A627 PolarHBondContact O-N 3.45Å
624	D	97.3	Very high	97.4	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-66.7	-40.8	179.2	-72.6	-85.6	0	0	0	112.7	S247 N618 F619 T621 W622 R626 A627 S628 W662	S247-D624 WeakPolarHBondContact CB-OD1 3.35Å; S247-D624 PolarHBondContact OG-OD1 3.36Å; N618-D624 HydrophobicContact CB-CB 4.28Å; F619-D624 PolarHBondContact N-OD1 3.41Å; F619-D624 VanDerWaalsContact O-CB 3.23Å; F619-D624 WeakPolarHBondContact O-CB 3.37Å; T621-D624 PolarHBondContact O-N 3.29Å; T621-D624 PolarHBondContact OG1-N 3.16Å; T621-D624 PolarHBondContact OG1-OD2 3.06Å; W622-D624 VanDerWaalsContact C-N 3.33Å; W622-D624 PolarHBondContact O-N 3.13Å; D624-R626 PolarHBondContact O-N 3.31Å; D624-A627 PolarHBondContact O-N 3.31Å; D624-S628 PolarHBondContact O-N 2.97Å; D624-W662 HydrophobicContact CB-CH2 4.08Å
625	M	98.2	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-36.6	171.9	-173.8	-176.8	63.3	0	0	111.5	T621 W622 S628 L658 R661 W662 L665 L762	T621-M625 PolarHBondContact O-N 2.86Å; T621-M625 VanDerWaalsContact O-N 3.15Å; W622-M625 HydrophobicContact CD2-CE 4.39Å; W622-M625 HydrophobicContact CE3-CE 3.33Å; W622-M625 HydrophobicContact CZ3-CE 3.47Å; W622-M625 VanDerWaalsContact CZ3-CE 3.47Å; W622-M625 PolarHBondContact O-N 3.46Å; M625-S628 PolarHBondContact O-OG 3.01Å; M625-L658 HydrophobicContact CB-CD1 4.26Å; M625-L658 HydrophobicContact CE-CD1 4.12Å; M625-L658 HydrophobicContact SD-CD1 4.01Å; M625-R661 HydrophobicContact CE-CB 4.18Å; M625-R661 HydrophobicContact SD-CB 4.01Å; M625-W662 HydrophobicContact CB-CD2 3.89Å; M625-W662 HydrophobicContact CB-CE3 3.96Å; M625-W662 HydrophobicContact CB-CG 4.48Å; M625-W662 HydrophobicContact CB-CH2 4.09Å; M625-W662 HydrophobicContact CB-CZ2 4.04Å; M625-W662 HydrophobicContact CB-CZ3 4.07Å; M625-W662 HydrophobicContact CG-CB 4.39Å; M625-W662 HydrophobicContact CG-CD2 3.76Å; M625-W662 HydrophobicContact CG-CE3 4.25Å; M625-W662 HydrophobicContact CG-CG 3.83Å; M625-W662 HydrophobicContact CG-CZ2 4.48Å; M625-W662 HydrophobicContact SD-CB 3.86Å; M625-W662 HydrophobicContact SD-CD2 4.26Å; M625-W662 HydrophobicContact SD-CG 3.96Å; M625-L665 HydrophobicContact CG-CD2 3.71Å; M625-L665 WeakPolarHBondContact O-CD2 3.33Å; M625-L762 HydrophobicContact CE-CB 4.41Å; M625-L762 HydrophobicContact CE-CD2 3.94Å
626	R	97.5	Very high	97.5	Very high	68 Å²	68	15.3 Å²	15.3	26%	0.257	8%	0.08	S	C	.	.	H	α-helix	trans	-70.2	-48.1	175.4	-71	-176.4	-60.6	-161.2	4.9	112.2	W622 P623 D624 S628 I629 R748 L762 E763	W622-R626 WeakPolarHBondContact O-CG 3.21Å; W622-R626 PolarHBondContact O-N 3.25Å; P623-R626 WeakPolarHBondContact O-CB 3.36Å; P623-R626 PolarHBondContact O-N 3.48Å; P623-R626 VanDerWaalsContact O-N 3.15Å; D624-R626 PolarHBondContact O-N 3.31Å; R626-S628 PolarHBondContact O-N 2.83Å; R626-I629 PolarHBondContact O-N 2.98Å; R626-I629 VanDerWaalsContact O-N 3.14Å; R626-R748 VanDerWaalsContact CD-NH1 3.31Å; R626-L762 HydrophobicContact CG-CB 3.73Å; R626-L762 HydrophobicContact CG-CD1 4.1Å; R626-L762 HydrophobicContact CG-CG 4.33Å; R626-E763 IonicContact CZ-OE1 3.27Å; R626-E763 VanDerWaalsContact NH1-CD 3.32Å; R626-E763 IonicContact NH1-OE1 2.86Å; R626-E763 PolarHBondContact NH1-OE1 3.49Å; R626-E763 IonicContact NH1-OE2 2.8Å; R626-E763 PolarHBondContact NH1-OE2 3.07Å; R626-E763 VanDerWaalsContact NH1-OE2 3.16Å
627	A	96.6	Very high	97.7	Very high	23 Å²	23	15.3 Å²	15.3	19%	0.19	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-28	-180	0	0	0	0	0	112.6	P623 D624 I629 I630 G631	P623-A627 WeakPolarHBondContact O-CB 3.31Å; P623-A627 PolarHBondContact O-N 3.45Å; D624-A627 PolarHBondContact O-N 3.31Å; A627-I629 PolarHBondContact O-N 2.91Å; A627-I629 VanDerWaalsContact O-N 3.14Å; A627-I630 WeakPolarHBondContact O-CB 3.33Å; A627-I630 PolarHBondContact O-N 2.84Å; A627-G631 PolarHBondContact O-N 3.23Å
628	S	97.8	Very high	97.8	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.028	8%	0.075	C	C	.	.	H	α-helix	trans	-55.5	-30.8	175.2	75.4	0	0	0	0	114.5	D624 M625 R626 M632 Y669	D624-S628 PolarHBondContact O-N 2.97Å; M625-S628 PolarHBondContact O-OG 3.01Å; R626-S628 PolarHBondContact O-N 2.83Å; S628-M632 WeakPolarHBondContact O-CB 3.39Å; S628-M632 PolarHBondContact O-N 3.29Å; S628-Y669 WeakPolarHBondContact CB-OH 3.49Å; S628-Y669 PolarHBondContact OG-OH 2.91Å
629	I	98.4	Very high	97.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.9	-42.8	178.4	-59.9	175	0	0	0	109.5	R626 A627 M632 L633 L665 D747 F750 P760 L762	R626-I629 PolarHBondContact O-N 2.98Å; R626-I629 VanDerWaalsContact O-N 3.14Å; A627-I629 PolarHBondContact O-N 2.91Å; A627-I629 VanDerWaalsContact O-N 3.14Å; I629-M632 HydrophobicContact CG2-CE 4.37Å; I629-M632 PolarHBondContact O-N 2.72Å; I629-L633 HydrophobicContact CG2-CD1 4.08Å; I629-L633 HydrophobicContact CG2-CG 4.4Å; I629-L633 VanDerWaalsContact O-CG 3.24Å; I629-L633 WeakPolarHBondContact O-CG 3.36Å; I629-L633 PolarHBondContact O-N 3.48Å; I629-L665 HydrophobicContact CD1-CD1 4.1Å; I629-L665 HydrophobicContact CD1-CD2 4.31Å; I629-L665 HydrophobicContact CG1-CD1 4.02Å; I629-L665 HydrophobicContact CG1-CD2 4.12Å; I629-D747 VanDerWaalsContact CG2-O 3.27Å; I629-D747 WeakPolarHBondContact CG2-O 3.38Å; I629-F750 HydrophobicContact CG2-CB 4.45Å; I629-F750 HydrophobicContact CG2-CD1 3.87Å; I629-P760 HydrophobicContact CD1-CG 3.84Å; I629-L762 HydrophobicContact CD1-CD1 3.65Å; I629-L762 HydrophobicContact CD1-CD2 4.11Å; I629-L762 HydrophobicContact CD1-CG 4.49Å
630	I	97.6	Very high	97.9	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.041	6%	0.063	C	C	.	.	H	α-helix	trans	-59.7	-53.1	177.6	-64.3	172.1	0	0	0	109.7	H223 F226 A627 M632 L633 E634 D747	H223-I630 WeakPolarHBondContact CE1-CG2 3.41Å; F226-I630 HydrophobicContact CB-CG1 4.35Å; F226-I630 HydrophobicContact CD2-CG2 4.44Å; A627-I630 WeakPolarHBondContact O-CB 3.33Å; A627-I630 PolarHBondContact O-N 2.84Å; I630-M632 VanDerWaalsContact C-N 3.31Å; I630-M632 PolarHBondContact O-N 3.06Å; I630-L633 WeakPolarHBondContact O-CB 3.23Å; I630-L633 PolarHBondContact O-N 2.94Å; I630-E634 HydrophobicContact CG2-CG 4.45Å; I630-E634 WeakPolarHBondContact O-CG 3.24Å; I630-E634 PolarHBondContact O-N 3.08Å; I630-D747 HydrophobicContact CD1-CB 4.48Å; I630-D747 HydrophobicContact CG1-CB 4.07Å
631	G	97.5	Very high	98	Very high	9 Å²	9	11 Å²	11	9%	0.093	6%	0.059	C	C	.	.	H	α-helix	trans	-58.5	-41.7	177.8	0	0	0	0	0	112.5	A627 L633 E634 F635	A627-G631 PolarHBondContact O-N 3.23Å; G631-L633 VanDerWaalsContact C-N 3.33Å; G631-L633 PolarHBondContact O-N 3.32Å; G631-E634 PolarHBondContact O-N 2.83Å; G631-F635 WeakPolarHBondContact O-CD2 3.44Å; G631-F635 PolarHBondContact O-N 3.3Å
632	M	98.1	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-40.9	175.4	175.2	179.7	59.2	0	0	112.6	S628 I629 I630 N636 V643 Y669 P670 V730 F750	S628-M632 WeakPolarHBondContact O-CB 3.39Å; S628-M632 PolarHBondContact O-N 3.29Å; I629-M632 HydrophobicContact CG2-CE 4.37Å; I629-M632 PolarHBondContact O-N 2.72Å; I630-M632 VanDerWaalsContact C-N 3.31Å; I630-M632 PolarHBondContact O-N 3.06Å; M632-N636 PolarHBondContact O-N 3.43Å; M632-N636 PolarHBondContact O-ND2 2.87Å; M632-V643 HydrophobicContact CB-CG1 4.29Å; M632-V643 HydrophobicContact CG-CG1 3.99Å; M632-Y669 HydrophobicContact CE-CD1 4.29Å; M632-Y669 HydrophobicContact SD-CD1 3.76Å; M632-P670 VanDerWaalsContact SD-CD 3.51Å; M632-V730 HydrophobicContact CE-CG1 3.98Å; M632-V730 HydrophobicContact CG-CB 4.4Å; M632-V730 HydrophobicContact CG-CG1 4.23Å; M632-V730 HydrophobicContact CG-CG2 4.25Å; M632-V730 HydrophobicContact SD-CG1 4.1Å; M632-V730 HydrophobicContact SD-CG2 4.07Å; M632-F750 HydrophobicContact CE-CB 4.31Å; M632-F750 HydrophobicContact CE-CD1 3.75Å; M632-F750 HydrophobicContact CE-CD2 3.64Å; M632-F750 HydrophobicContact CE-CE1 3.86Å; M632-F750 HydrophobicContact CE-CE2 3.73Å; M632-F750 HydrophobicContact CE-CG 3.62Å; M632-F750 HydrophobicContact CE-CZ 3.84Å; M632-F750 HydrophobicContact SD-CE2 4.49Å
633	L	98.4	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.6	-44.7	177.6	-69.3	172.4	0	0	0	111.3	F226 I629 I630 G631 N636 M637 V730 P732 F750	F226-L633 HydrophobicContact CD1-CD1 4.34Å; F226-L633 HydrophobicContact CD2-CB 4.05Å; F226-L633 HydrophobicContact CD2-CD1 4.38Å; F226-L633 HydrophobicContact CE2-CB 3.78Å; F226-L633 HydrophobicContact CG-CD1 4.2Å; F226-L633 HydrophobicContact CZ-CB 4.17Å; I629-L633 HydrophobicContact CG2-CD1 4.08Å; I629-L633 HydrophobicContact CG2-CG 4.4Å; I629-L633 VanDerWaalsContact O-CG 3.24Å; I629-L633 WeakPolarHBondContact O-CG 3.36Å; I629-L633 PolarHBondContact O-N 3.48Å; I630-L633 WeakPolarHBondContact O-CB 3.23Å; I630-L633 PolarHBondContact O-N 2.94Å; G631-L633 VanDerWaalsContact C-N 3.33Å; G631-L633 PolarHBondContact O-N 3.32Å; L633-N636 WeakPolarHBondContact O-CB 3.28Å; L633-N636 PolarHBondContact O-N 3.35Å; L633-M637 PolarHBondContact O-N 3.45Å; L633-V730 HydrophobicContact CD2-CG1 4.03Å; L633-P732 HydrophobicContact CD1-CB 4.18Å; L633-P732 HydrophobicContact CD2-CB 3.98Å; L633-F750 HydrophobicContact CD2-CB 4.03Å
634	E	98.2	Very high	98.1	Very high	6 Å²	6	6.8 Å²	6.8	3%	0.028	4%	0.037	C	C	.	.	H	α-helix	trans	-64.1	-44.6	179.3	-70.9	-178.6	140.4	0	0	112.4	H223 F226 I630 G631 N636 M637 F638	H223-E634 IonicContact CD2-OE1 3.14Å; H223-E634 IonicContact CE1-OE1 2.67Å; H223-E634 PolarHBondContact CE1-OE1 3.27Å; H223-E634 VanDerWaalsContact NE2-CD 3.29Å; H223-E634 IonicContact NE2-OE1 3.95Å; H223-E634 PolarHBondContact NE2-OE1 3.01Å; H223-E634 IonicContact NE2-OE2 2.85Å; H223-E634 PolarHBondContact NE2-OE2 2.81Å; F226-E634 HydrophobicContact CD2-CG 4.02Å; F226-E634 HydrophobicContact CE2-CG 3.81Å; I630-E634 HydrophobicContact CG2-CG 4.45Å; I630-E634 WeakPolarHBondContact O-CG 3.24Å; I630-E634 PolarHBondContact O-N 3.08Å; G631-E634 PolarHBondContact O-N 2.83Å; E634-N636 PolarHBondContact O-N 3.02Å; E634-M637 CarbonylContact O-C 3.38Å; E634-M637 VanDerWaalsContact O-CA 3.3Å; E634-M637 WeakPolarHBondContact O-CA 3.33Å; E634-M637 WeakPolarHBondContact O-CB 3.22Å; E634-M637 PolarHBondContact O-N 3.47Å; E634-F638 HydrophobicContact CB-CD2 4.38Å; E634-F638 HydrophobicContact CB-CE2 3.7Å; E634-F638 HydrophobicContact CB-CZ 3.96Å; E634-F638 VanDerWaalsContact O-CD2 3.29Å; E634-F638 WeakPolarHBondContact O-CD2 3.08Å; E634-F638 WeakPolarHBondContact O-CG 3.43Å; E634-F638 PolarHBondContact O-N 3.23Å
635	F	98.5	Very high	98.2	Very high	1 Å²	1	6.7 Å²	6.7	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-67.4	-24	177.4	-87	-88.4	0	0	0	113.5	E220 H259 H613 L615 G631 M637 F638 G639 I640 V643	E220-F635 HydrophobicContact CB-CE2 4.47Å; E220-F635 HydrophobicContact CB-CZ 4.36Å; E220-F635 HydrophobicContact CG-CE2 3.86Å; E220-F635 HydrophobicContact CG-CZ 4.04Å; H259-F635 AromaticContact NE2-CE1 3.61Å; H613-F635 HydrophobicContact CB-CD1 4.29Å; H613-F635 HydrophobicContact CB-CE1 4.18Å; H613-F635 AromaticContact CD2-CD1 3.62Å; H613-F635 AromaticContact CD2-CD2 3.94Å; H613-F635 AromaticContact CD2-CE1 3.17Å; H613-F635 WeakPolarHBondContact CD2-CE1 3.47Å; H613-F635 AromaticContact CD2-CE2 3.53Å; H613-F635 AromaticContact CD2-CG 3.98Å; H613-F635 AromaticContact CD2-CZ 3.13Å; H613-F635 WeakPolarHBondContact CD2-CZ 3.34Å; H613-F635 AromaticContact CE1-CZ 3.79Å; H613-F635 AromaticContact CG-CE1 3.61Å; H613-F635 AromaticContact CG-CZ 3.93Å; H613-F635 AromaticContact NE2-CE1 3.58Å; H613-F635 AromaticContact NE2-CE2 3.47Å; H613-F635 WeakPolarHBondContact NE2-CE2 3.22Å; H613-F635 AromaticContact NE2-CZ 3.04Å; H613-F635 WeakPolarHBondContact NE2-CZ 3.49Å; L615-F635 HydrophobicContact CD2-CD2 3.63Å; L615-F635 HydrophobicContact CD2-CE2 3.68Å; G631-F635 WeakPolarHBondContact O-CD2 3.44Å; G631-F635 PolarHBondContact O-N 3.3Å; F635-M637 VanDerWaalsContact C-N 3.31Å; F635-F638 HydrophobicContact CD1-CD2 4.22Å; F635-F638 HydrophobicContact CD2-CD2 4.33Å; F635-F638 HydrophobicContact CE1-CD2 4.45Å; F635-F638 HydrophobicContact CG-CD2 4.16Å; F635-F638 PolarHBondContact O-N 2.64Å; F635-G639 PolarHBondContact O-N 3.2Å; F635-I640 HydrophobicContact CD1-CB 4.04Å; F635-I640 HydrophobicContact CD1-CD1 4.05Å; F635-I640 HydrophobicContact CD1-CG1 4.34Å; F635-I640 HydrophobicContact CE1-CD1 4.16Å; F635-I640 CarbonylContact O-C 3.59Å; F635-I640 PolarHBondContact O-N 3.37Å; F635-V643 HydrophobicContact CB-CB 4.03Å; F635-V643 HydrophobicContact CB-CG1 3.92Å; F635-V643 HydrophobicContact CB-CG2 3.82Å; F635-V643 HydrophobicContact CD2-CG2 4.27Å; F635-V643 HydrophobicContact CG-CG2 4Å
636	N	98.3	Very high	98.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-71.9	-23.1	166.2	-85	-97.1	0	0	0	112.6	W319 M632 L633 E634 P641 M728 V729 V730	W319-N636 WeakPolarHBondContact CZ2-O 3.44Å; M632-N636 PolarHBondContact O-N 3.43Å; M632-N636 PolarHBondContact O-ND2 2.87Å; L633-N636 WeakPolarHBondContact O-CB 3.28Å; L633-N636 PolarHBondContact O-N 3.35Å; E634-N636 PolarHBondContact O-N 3.02Å; N636-P641 VanDerWaalsContact OD1-CB 3.31Å; N636-P641 WeakPolarHBondContact OD1-CB 3.48Å; N636-M728 HydrophobicContact CB-CE 3.78Å; N636-V729 PolarHBondContact OD1-N 3.46Å; N636-V730 VanDerWaalsContact CB-O 3.3Å; N636-V730 WeakPolarHBondContact CB-O 3.47Å; N636-V730 PolarHBondContact OD1-N 3.33Å; N636-V730 PolarHBondContact OD1-O 3.07Å
637	M	98.3	Very high	98.2	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-74	-41.9	166.1	-58.3	172	57.5	0	0	110.2	F226 F261 M263 I315 Y318 W319 L633 E634 F635 G639 M728 F735	F226-M637 HydrophobicContact CE2-SD 3.81Å; F226-M637 HydrophobicContact CZ-SD 3.63Å; F261-M637 HydrophobicContact CE1-CB 4.46Å; F261-M637 HydrophobicContact CE1-CE 4.07Å; M263-M637 HydrophobicContact CB-CE 4.08Å; M263-M637 HydrophobicContact CE-CE 4.42Å; I315-M637 HydrophobicContact CD1-CB 3.83Å; I315-M637 HydrophobicContact CD1-CG 4.11Å; Y318-M637 WeakPolarHBondContact CD1-O 3.23Å; Y318-M637 WeakPolarHBondContact CE1-O 3.46Å; W319-M637 PolarHBondContact NE1-O 3.45Å; W319-M637 VanDerWaalsContact NE1-O 3.09Å; L633-M637 PolarHBondContact O-N 3.45Å; E634-M637 CarbonylContact O-C 3.38Å; E634-M637 VanDerWaalsContact O-CA 3.3Å; E634-M637 WeakPolarHBondContact O-CA 3.33Å; E634-M637 WeakPolarHBondContact O-CB 3.22Å; E634-M637 PolarHBondContact O-N 3.47Å; F635-M637 VanDerWaalsContact C-N 3.31Å; M637-G639 PolarHBondContact O-N 3Å; M637-G639 VanDerWaalsContact O-N 3.11Å; M637-M728 HydrophobicContact CG-CE 4.21Å; M637-F735 HydrophobicContact CE-CZ 4.14Å; M637-F735 HydrophobicContact CG-CE2 3.95Å; M637-F735 HydrophobicContact CG-CZ 4.34Å; M637-F735 HydrophobicContact SD-CE2 4.15Å; M637-F735 HydrophobicContact SD-CZ 3.92Å
638	F	98.4	Very high	98.3	Very high	1 Å²	1	2.3 Å²	2.3	0%	0.004	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.4	-174.2	-54.5	-30.3	0	0	0	115.7	G219 H259 F261 E634 F635	G219-F638 WeakPolarHBondContact O-CE2 3.22Å; G219-F638 VanDerWaalsContact O-CZ 3.32Å; G219-F638 WeakPolarHBondContact O-CZ 2.92Å; H259-F638 HydrophobicContact CB-CB 4.34Å; H259-F638 HydrophobicContact CB-CD1 3.63Å; H259-F638 HydrophobicContact CB-CD2 3.76Å; H259-F638 HydrophobicContact CB-CE1 3.76Å; H259-F638 HydrophobicContact CB-CE2 3.88Å; H259-F638 HydrophobicContact CB-CG 3.64Å; H259-F638 HydrophobicContact CB-CZ 3.89Å; H259-F638 AromaticContact CD2-CD2 3.55Å; H259-F638 AromaticContact CD2-CG 3.99Å; H259-F638 AromaticContact CG-CD2 3.55Å; H259-F638 AromaticContact CG-CG 3.54Å; H259-F638 AromaticContact ND1-CG 3.89Å; F261-F638 HydrophobicContact CD1-CD1 4.45Å; E634-F638 HydrophobicContact CB-CD2 4.38Å; E634-F638 HydrophobicContact CB-CE2 3.7Å; E634-F638 HydrophobicContact CB-CZ 3.96Å; E634-F638 VanDerWaalsContact O-CD2 3.29Å; E634-F638 WeakPolarHBondContact O-CD2 3.08Å; E634-F638 WeakPolarHBondContact O-CG 3.43Å; E634-F638 PolarHBondContact O-N 3.23Å; F635-F638 HydrophobicContact CD1-CD2 4.22Å; F635-F638 HydrophobicContact CD2-CD2 4.33Å; F635-F638 HydrophobicContact CE1-CD2 4.45Å; F635-F638 HydrophobicContact CG-CD2 4.16Å; F635-F638 PolarHBondContact O-N 2.64Å
639	G	98.2	Very high	98.3	Very high	2 Å²	2	2.1 Å²	2.1	2%	0.021	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	14.1	178.3	0	0	0	0	0	114.8	G608 F635 M637 P641	G608-G639 WeakPolarHBondContact CA-O 3.4Å; F635-G639 PolarHBondContact O-N 3.2Å; M637-G639 PolarHBondContact O-N 3Å; M637-G639 VanDerWaalsContact O-N 3.11Å; G639-P641 VanDerWaalsContact C-CD 3.43Å; G639-P641 WeakPolarHBondContact O-CD 3.32Å
640	I	98.6	Very high	98.3	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.01	2%	0.018	C	C	.	.			trans	-124	70.1	-178.8	-41.6	-175.3	0	0	0	109.2	T603 H613 F635 F642	T603-I640 HydrophobicContact CG2-CD1 3.81Å; H613-I640 HydrophobicContact CB-CG2 3.93Å; F635-I640 HydrophobicContact CD1-CB 4.04Å; F635-I640 HydrophobicContact CD1-CD1 4.05Å; F635-I640 HydrophobicContact CD1-CG1 4.34Å; F635-I640 HydrophobicContact CE1-CD1 4.16Å; F635-I640 CarbonylContact O-C 3.59Å; F635-I640 PolarHBondContact O-N 3.37Å; I640-F642 PolarHBondContact O-N 3.37Å
641	P	98.5	Very high	98.3	Very high	2 Å²	2	4 Å²	4	1%	0.013	2%	0.022	C	C	.	.			trans	-68.5	-19.8	-175.4	26.9	-34.4	0	0	0	113.9	P325 N636 G639 V643 P670 F719 V729	P325-P641 HydrophobicContact CB-CG 3.78Å; P325-P641 HydrophobicContact CG-CG 3.74Å; N636-P641 VanDerWaalsContact OD1-CB 3.31Å; N636-P641 WeakPolarHBondContact OD1-CB 3.48Å; G639-P641 VanDerWaalsContact C-CD 3.43Å; G639-P641 WeakPolarHBondContact O-CD 3.32Å; P641-V643 VanDerWaalsContact C-N 3.31Å; P641-V643 PolarHBondContact O-N 2.84Å; P641-P670 WeakPolarHBondContact O-CB 3.36Å; P641-P670 WeakPolarHBondContact O-CG 3.19Å; P641-F719 HydrophobicContact CB-CE1 4.06Å; P641-F719 HydrophobicContact CG-CD1 4.32Å; P641-F719 HydrophobicContact CG-CE1 3.86Å; P641-V729 HydrophobicContact CB-CB 3.77Å; P641-V729 HydrophobicContact CB-CG2 3.58Å; P641-V729 HydrophobicContact CG-CG2 4.06Å
642	F	98.7	Very high	98.2	Very high	13 Å²	13	4.6 Å²	4.6	6%	0.057	3%	0.028	C	C	.	.	S	Bend	trans	-81.7	80.4	174.4	-162.8	-83.8	0	0	0	109.6	P328 S332 L333 F597 G612 H613 I640 F671 F719	P328-F642 HydrophobicContact CB-CD2 3.82Å; P328-F642 HydrophobicContact CB-CE2 3.96Å; P328-F642 HydrophobicContact CG-CD2 4.06Å; P328-F642 HydrophobicContact CG-CE2 4.4Å; S332-F642 WeakPolarHBondContact O-CZ 3.3Å; L333-F642 HydrophobicContact CD2-CD2 4.14Å; L333-F642 HydrophobicContact CD2-CE2 3.77Å; F597-F642 HydrophobicContact CD2-CE1 4.25Å; F597-F642 HydrophobicContact CD2-CZ 4.43Å; F597-F642 AromaticContact CE2-CD1 3.92Å; F597-F642 HydrophobicContact CE2-CD1 3.92Å; F597-F642 AromaticContact CE2-CE1 3.25Å; F597-F642 HydrophobicContact CE2-CE1 3.25Å; F597-F642 AromaticContact CE2-CZ 3.76Å; F597-F642 HydrophobicContact CE2-CZ 3.76Å; F597-F642 AromaticContact CZ-CE1 3.84Å; F597-F642 HydrophobicContact CZ-CE1 3.84Å; G612-F642 CarbonylContact C-O 3.56Å; G612-F642 WeakPolarHBondContact CA-O 3.36Å; H613-F642 PolarHBondContact N-O 3.32Å; I640-F642 PolarHBondContact O-N 3.37Å; F642-F671 HydrophobicContact CD1-CB 3.83Å; F642-F671 HydrophobicContact CD1-CD2 4.36Å; F642-F671 HydrophobicContact CD1-CG 4.35Å; F642-F671 HydrophobicContact CE1-CB 3.57Å; F642-F671 AromaticContact CE1-CD2 3.41Å; F642-F671 HydrophobicContact CE1-CD2 3.41Å; F642-F671 VanDerWaalsContact CE1-CD2 3.41Å; F642-F671 HydrophobicContact CE1-CE2 4.34Å; F642-F671 AromaticContact CE1-CG 3.79Å; F642-F671 HydrophobicContact CE1-CG 3.79Å; F642-F671 HydrophobicContact CZ-CB 4.2Å; F642-F671 AromaticContact CZ-CD2 3.95Å; F642-F671 HydrophobicContact CZ-CD2 3.95Å; F642-F719 HydrophobicContact CB-CE1 3.85Å; F642-F719 HydrophobicContact CB-CZ 3.97Å; F642-F719 HydrophobicContact CD2-CE1 4.07Å; F642-F719 HydrophobicContact CD2-CE2 4.36Å; F642-F719 AromaticContact CD2-CZ 3.67Å; F642-F719 HydrophobicContact CD2-CZ 3.67Å; F642-F719 HydrophobicContact CG-CE1 4.48Å; F642-F719 HydrophobicContact CG-CZ 4.27Å
643	V	98.6	Very high	98.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.1	-172.5	65.7	0	0	0	0	112.6	H613 L615 M632 F635 P641 P670 F671	H613-V643 VanDerWaalsContact O-CA 3.29Å; H613-V643 WeakPolarHBondContact O-CA 3.27Å; L615-V643 HydrophobicContact CD2-CG2 3.86Å; L615-V643 HydrophobicContact CG-CG2 4.09Å; M632-V643 HydrophobicContact CB-CG1 4.29Å; M632-V643 HydrophobicContact CG-CG1 3.99Å; F635-V643 HydrophobicContact CB-CB 4.03Å; F635-V643 HydrophobicContact CB-CG1 3.92Å; F635-V643 HydrophobicContact CB-CG2 3.82Å; F635-V643 HydrophobicContact CD2-CG2 4.27Å; F635-V643 HydrophobicContact CG-CG2 4Å; P641-V643 VanDerWaalsContact C-N 3.31Å; P641-V643 PolarHBondContact O-N 2.84Å; V643-P670 WeakPolarHBondContact O-CD 3.23Å; V643-F671 PolarHBondContact O-N 2.98Å
644	G	98.4	Very high	98.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	164.1	175.2	0	0	0	0	0	112.8	W614 L615 F671	W614-G644 VanDerWaalsContact CA-O 3.28Å; W614-G644 WeakPolarHBondContact CA-O 3.47Å; L615-G644 PolarHBondContact N-O 3.19Å; G644-F671 WeakPolarHBondContact CA-O 3.3Å
645	A	98.4	Very high	98.1	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.008	7%	0.068	C	C	.	.			trans	-96.6	164.3	173.2	0	0	0	0	0	111.3	L615 I647 Y669	L615-A645 HydrophobicContact CB-CB 4.39Å; L615-A645 HydrophobicContact CD1-CB 4.19Å; A645-I647 PolarHBondContact O-N 2.89Å; A645-I647 VanDerWaalsContact O-N 3.15Å; A645-Y669 HydrophobicContact CB-CE2 4.1Å
646	D	98.6	Very high	98.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.			trans	-71.4	110.8	173.7	-72	-29.7	0	0	0	110.9	N618 C648 G649 W662 R673 H675	N618-D646 PolarHBondContact ND2-O 2.76Å; N618-D646 VanDerWaalsContact ND2-O 3.08Å; N618-D646 WeakPolarHBondContact OD1-CB 3.47Å; N618-D646 PolarHBondContact OD1-N 3.13Å; D646-C648 PolarHBondContact O-N 3.31Å; D646-G649 PolarHBondContact O-N 2.91Å; D646-W662 WeakPolarHBondContact O-CZ2 3.46Å; D646-R673 VanDerWaalsContact CG-NH2 3.29Å; D646-R673 IonicContact OD1-CZ 3.6Å; D646-R673 IonicContact OD1-NE 2.66Å; D646-R673 PolarHBondContact OD1-NE 3.49Å; D646-R673 IonicContact OD1-NH2 3.63Å; D646-R673 PolarHBondContact OD1-NH2 2.72Å; D646-R673 IonicContact OD2-NH2 2.74Å; D646-R673 PolarHBondContact OD2-NH2 3.31Å; D646-R673 VanDerWaalsContact OD2-NH2 3.12Å; D646-H675 HydrophobicContact CB-CB 4.14Å; D646-H675 WeakPolarHBondContact OD1-CB 3.44Å; D646-H675 IonicContact OD2-CD2 3.28Å; D646-H675 PolarHBondContact OD2-CD2 2.69Å; D646-H675 VanDerWaalsContact OD2-CD2 3.31Å; D646-H675 IonicContact OD2-CG 3.69Å
647	I	98.8	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-63.5	129.3	-177.4	-63	168.1	0	0	0	108.9	F335 A645 G649 W662 H663 Y669 R673 N674	F335-I647 HydrophobicContact CE2-CD1 4.21Å; A645-I647 PolarHBondContact O-N 2.89Å; A645-I647 VanDerWaalsContact O-N 3.15Å; I647-G649 VanDerWaalsContact C-N 3.27Å; I647-W662 HydrophobicContact CG2-CB 4.02Å; I647-W662 HydrophobicContact CG2-CG 4.07Å; I647-H663 HydrophobicContact CG2-CB 4.49Å; I647-Y669 HydrophobicContact CG1-CD2 4.33Å; I647-Y669 HydrophobicContact CG1-CE2 4.12Å; I647-R673 WeakPolarHBondContact CB-O 3.31Å; I647-R673 WeakPolarHBondContact CG1-O 3.33Å; I647-R673 PolarHBondContact N-O 2.69Å; I647-N674 HydrophobicContact CB-CB 4.27Å; I647-N674 PolarHBondContact O-ND2 3.22Å
648	C	98.6	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-2.9	-171.7	-49	0	0	0	0	115.7	S620 D646 T654 C659 W662 Q689	S620-C648 WeakPolarHBondContact CB-O 3.41Å; S620-C648 PolarHBondContact OG-O 3.14Å; D646-C648 PolarHBondContact O-N 3.31Å; C648-T654 HydrophobicContact CB-CG2 4.13Å; C648-T654 WeakPolarHBondContact O-CB 3.13Å; C648-C659 HydrophobicContact CB-CB 3.8Å; C648-C659 WeakPolarHBondContact CB-SG 3.44Å; C648-C659 WeakPolarHBondContact SG-CA 3.48Å; C648-C659 WeakPolarHBondContact SG-CB 3.23Å; C648-C659 CovalentContact SG-SG 2.04Å; C648-C659 PolarHBondContact SG-SG 3.28Å; C648-W662 VanDerWaalsContact C-CE3 3.49Å; C648-W662 VanDerWaalsContact N-CG 3.33Å; C648-Q689 HydrophobicContact CB-CB 4.22Å; C648-Q689 PolarHBondContact O-NE2 2.98Å; C648-Q689 VanDerWaalsContact O-NE2 3.08Å
649	G	97.9	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.			trans	88.9	147.2	178.8	0	0	0	0	0	114.3	N618 S620 D646 I647 Q689	N618-G649 WeakPolarHBondContact ND2-CA 3.12Å; S620-G649 WeakPolarHBondContact OG-CA 3.39Å; D646-G649 PolarHBondContact O-N 2.91Å; I647-G649 VanDerWaalsContact C-N 3.27Å; G649-Q689 PolarHBondContact O-NE2 3.44Å
650	F	97.8	Very high	98.2	Very high	22 Å²	22	16.7 Å²	16.7	10%	0.096	9%	0.094	C	C	.	.	S	Bend	trans	-88.1	-48.9	175.2	-179.6	-91.9	0	0	0	112.4	Y340 D617 N618 H675 G677 Q686	Y340-F650 HydrophobicContact CD1-CZ 4.16Å; D617-F650 HydrophobicContact CB-CB 4.35Å; D617-F650 HydrophobicContact CB-CD1 3.6Å; D617-F650 HydrophobicContact CB-CE1 4.11Å; D617-F650 HydrophobicContact CB-CG 4.11Å; N618-F650 WeakPolarHBondContact O-CA 3.42Å; N618-F650 PolarHBondContact O-N 3.26Å; F650-H675 AromaticContact CD2-CD2 3.7Å; F650-H675 AromaticContact CD2-NE2 3.67Å; F650-H675 AromaticContact CE2-NE2 3.49Å; F650-H675 WeakPolarHBondContact CE2-NE2 3.34Å; F650-G677 WeakPolarHBondContact O-CA 3.21Å; F650-G677 PolarHBondContact O-N 3.26Å; F650-Q686 PolarHBondContact O-NE2 2.69Å; F650-Q686 PolarHBondContact O-OE1 3.19Å
651	N	97	Very high	98.2	Very high	25 Å²	25	16.7 Å²	16.7	13%	0.134	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-93.9	120.7	-174.7	-74.8	-51.7	0	0	0	112.1	D617 N618 F619 S620	D617-N651 PolarHBondContact O-ND2 3.2Å; N618-N651 PolarHBondContact O-N 3.4Å; N618-N651 VanDerWaalsContact O-N 3.15Å; F619-N651 HydrophobicContact CB-CB 4.43Å; F619-N651 HydrophobicContact CD1-CB 3.32Å; F619-N651 HydrophobicContact CE1-CB 3.54Å; F619-N651 HydrophobicContact CG-CB 3.87Å; F619-N651 HydrophobicContact CZ-CB 4.24Å; S620-N651 PolarHBondContact N-O 2.94Å; S620-N651 PolarHBondContact OG-O 3.37Å
652	G	95.9	Very high	98.2	Very high	21 Å²	21	16.6 Å²	16.6	22%	0.216	9%	0.093	C	C	.	.	S	Bend	trans	84.8	163.1	177.6	0	0	0	0	0	114	S620 Q689	S620-G652 VanDerWaalsContact CB-O 3.29Å; S620-G652 WeakPolarHBondContact CB-O 3.36Å; S620-G652 PolarHBondContact OG-O 3.02Å; G652-Q689 PolarHBondContact O-OE1 2.67Å
653	D	96.9	Very high	98.2	Very high	77 Å²	77	16.1 Å²	16.1	41%	0.412	9%	0.091	S	C	.	.	P	Polyproline II helix	trans	-73.3	127.5	178.3	-72.3	-21.8	0	0	0	111.3	Q686 I687	D653-Q686 VanDerWaalsContact OD1-CA 3.29Å; D653-Q686 WeakPolarHBondContact OD1-CA 3.16Å; D653-I687 HydrophobicContact CB-CD1 3.98Å; D653-I687 HydrophobicContact CB-CG1 4.13Å; D653-I687 WeakPolarHBondContact OD1-CG1 3.26Å; D653-I687 PolarHBondContact OD1-N 2.97Å
654	T	97.5	Very high	98.2	Very high	10 Å²	10	16.2 Å²	16.2	6%	0.061	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-72.4	161.7	170	-169	0	0	0	0	112.3	C648 C659 Q689 W694	C648-T654 HydrophobicContact CB-CG2 4.13Å; C648-T654 WeakPolarHBondContact O-CB 3.13Å; T654-C659 HydrophobicContact CG2-CB 3.73Å; T654-Q689 HydrophobicContact CG2-CB 4.31Å; T654-Q689 VanDerWaalsContact CG2-CD 3.47Å; T654-Q689 HydrophobicContact CG2-CG 3.89Å; T654-Q689 VanDerWaalsContact CG2-OE1 3.27Å; T654-W694 HydrophobicContact CG2-CH2 3.83Å; T654-W694 HydrophobicContact CG2-CZ3 3.97Å
655	S	98.1	Very high	98.2	Very high	57 Å²	57	16.2 Å²	16.2	40%	0.399	9%	0.091	S	C	.	.	P	Polyproline II helix	trans	-92.3	158	162.6	68.7	0	0	0	0	111.7	E657 L658 C659	S655-E657 PolarHBondContact O-N 3.2Å; S655-L658 PolarHBondContact O-N 2.82Å; S655-L658 VanDerWaalsContact OG-CB 3.22Å; S655-L658 WeakPolarHBondContact OG-CB 3.27Å; S655-L658 PolarHBondContact OG-N 2.97Å; S655-C659 WeakPolarHBondContact O-CB 3.13Å; S655-C659 PolarHBondContact O-N 3.07Å
656	E	98.3	Very high	98.2	Very high	78 Å²	78	16.1 Å²	16.1	36%	0.364	9%	0.091	S	C	.	.	H	α-helix	trans	-55.6	-47	176.3	178.4	176.1	-171.9	0	0	111.9	C659 A660 W694 T696 V697	E656-C659 PolarHBondContact O-N 2.85Å; E656-A660 WeakPolarHBondContact O-CB 3.37Å; E656-A660 PolarHBondContact O-N 2.91Å; E656-W694 HydrophobicContact CB-CD2 4.02Å; E656-W694 HydrophobicContact CB-CG 4.07Å; E656-W694 HydrophobicContact CG-CB 3.83Å; E656-W694 HydrophobicContact CG-CD2 4.12Å; E656-W694 HydrophobicContact CG-CG 3.71Å; E656-T696 WeakPolarHBondContact CG-OG1 3.2Å; E656-T696 WeakPolarHBondContact OE1-CB 3.24Å; E656-T696 VanDerWaalsContact OE1-CG2 3.24Å; E656-T696 WeakPolarHBondContact OE1-CG2 3.4Å; E656-T696 PolarHBondContact OE1-OG1 2.88Å; E656-V697 HydrophobicContact CG-CG2 4.29Å; E656-V697 WeakPolarHBondContact O-CG2 2.84Å
657	E	98.7	Very high	98.3	Very high	40 Å²	40	16.2 Å²	16.2	19%	0.187	9%	0.091	C	C	.	.	H	α-helix	trans	-65.9	-47.3	179.3	-175.8	-178.1	-162	0	0	111.9	W622 S655 C659 A660 R661 N765 L802	W622-E657 HydrophobicContact CH2-CG 4.11Å; W622-E657 HydrophobicContact CZ2-CG 4.09Å; S655-E657 PolarHBondContact O-N 3.2Å; E657-C659 VanDerWaalsContact C-N 3.3Å; E657-C659 PolarHBondContact O-N 3.28Å; E657-A660 PolarHBondContact O-N 2.87Å; E657-R661 HydrophobicContact CG-CG 4.4Å; E657-R661 WeakPolarHBondContact O-CG 3.24Å; E657-R661 PolarHBondContact O-N 3.32Å; E657-N765 VanDerWaalsContact CD-N 3.28Å; E657-N765 WeakPolarHBondContact OE1-CA 3.45Å; E657-N765 PolarHBondContact OE1-N 2.93Å; E657-N765 PolarHBondContact OE2-N 3.32Å; E657-N765 VanDerWaalsContact OE2-N 3.11Å; E657-L802 HydrophobicContact CG-CD1 4.06Å
658	L	98.7	Very high	98.3	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-46.6	178.6	175.4	61.9	0	0	0	110.2	S620 W622 M625 S655 A660 R661 W662	S620-L658 VanDerWaalsContact C-CD2 3.47Å; S620-L658 VanDerWaalsContact O-CD2 3.22Å; S620-L658 WeakPolarHBondContact O-CD2 3.44Å; W622-L658 HydrophobicContact CD2-CD1 3.74Å; W622-L658 HydrophobicContact CE3-CD1 4.05Å; W622-L658 HydrophobicContact CG-CD1 4.03Å; W622-L658 HydrophobicContact CZ2-CB 4.16Å; W622-L658 HydrophobicContact CZ2-CD1 4.34Å; W622-L658 HydrophobicContact CZ3-CD1 4.48Å; M625-L658 HydrophobicContact CB-CD1 4.26Å; M625-L658 HydrophobicContact CE-CD1 4.12Å; M625-L658 HydrophobicContact SD-CD1 4.01Å; S655-L658 PolarHBondContact O-N 2.82Å; S655-L658 VanDerWaalsContact OG-CB 3.22Å; S655-L658 WeakPolarHBondContact OG-CB 3.27Å; S655-L658 PolarHBondContact OG-N 2.97Å; L658-A660 PolarHBondContact O-N 3Å; L658-R661 PolarHBondContact O-N 3.02Å; L658-W662 HydrophobicContact CD1-CE3 4.13Å; L658-W662 HydrophobicContact CD2-CE3 4.5Å; L658-W662 HydrophobicContact CD2-CZ3 4.45Å; L658-W662 HydrophobicContact CG-CE3 4.15Å; L658-W662 WeakPolarHBondContact O-CB 3.48Å; L658-W662 PolarHBondContact O-N 3.28Å
659	C	98.7	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-38.9	-178.7	-168.6	0	0	0	0	112	C648 T654 S655 E656 E657 W662 H663 W694 V697	C648-C659 HydrophobicContact CB-CB 3.8Å; C648-C659 WeakPolarHBondContact CB-SG 3.44Å; C648-C659 WeakPolarHBondContact SG-CA 3.48Å; C648-C659 WeakPolarHBondContact SG-CB 3.23Å; C648-C659 CovalentContact SG-SG 2.04Å; C648-C659 PolarHBondContact SG-SG 3.28Å; T654-C659 HydrophobicContact CG2-CB 3.73Å; S655-C659 WeakPolarHBondContact O-CB 3.13Å; S655-C659 PolarHBondContact O-N 3.07Å; E656-C659 PolarHBondContact O-N 2.85Å; E657-C659 VanDerWaalsContact C-N 3.3Å; E657-C659 PolarHBondContact O-N 3.28Å; C659-W662 PolarHBondContact O-N 2.89Å; C659-H663 PolarHBondContact O-CD2 3.23Å; C659-H663 VanDerWaalsContact O-CD2 3.32Å; C659-H663 PolarHBondContact O-N 2.98Å; C659-W694 HydrophobicContact CB-CZ3 4.28Å; C659-V697 HydrophobicContact CB-CG2 4.13Å
660	A	98.8	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-46	173.3	0	0	0	0	0	111.9	E656 E657 L658 W662 H663 Q664 V697 A700 L802	E656-A660 WeakPolarHBondContact O-CB 3.37Å; E656-A660 PolarHBondContact O-N 2.91Å; E657-A660 PolarHBondContact O-N 2.87Å; L658-A660 PolarHBondContact O-N 3Å; A660-W662 VanDerWaalsContact C-N 3.31Å; A660-W662 PolarHBondContact O-N 3.23Å; A660-H663 PolarHBondContact O-N 2.74Å; A660-Q664 WeakPolarHBondContact O-CG 3.39Å; A660-Q664 PolarHBondContact O-N 2.91Å; A660-Q664 VanDerWaalsContact O-N 3.1Å; A660-V697 HydrophobicContact CB-CG2 3.97Å; A660-A700 HydrophobicContact CB-CB 3.96Å; A660-L802 HydrophobicContact CB-CD1 3.65Å; A660-L802 HydrophobicContact CB-CD2 4.35Å; A660-L802 HydrophobicContact CB-CG 3.87Å
661	R	98.8	Very high	98.4	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-36.5	175	-68.8	-50.9	-173.8	-178.9	-3	112.6	W622 M625 E657 L658 Q664 L665 V766 A800 P801 L802	W622-R661 HydrophobicContact CH2-CB 4.12Å; W622-R661 HydrophobicContact CH2-CG 3.62Å; W622-R661 HydrophobicContact CZ3-CB 4.12Å; W622-R661 HydrophobicContact CZ3-CG 3.93Å; M625-R661 HydrophobicContact CE-CB 4.18Å; M625-R661 HydrophobicContact SD-CB 4.01Å; E657-R661 HydrophobicContact CG-CG 4.4Å; E657-R661 WeakPolarHBondContact O-CG 3.24Å; E657-R661 PolarHBondContact O-N 3.32Å; L658-R661 PolarHBondContact O-N 3.02Å; R661-Q664 WeakPolarHBondContact O-CB 3.4Å; R661-Q664 PolarHBondContact O-N 3.18Å; R661-L665 PolarHBondContact O-N 2.9Å; R661-V766 PolarHBondContact NH2-O 3.38Å; R661-A800 PolarHBondContact NH1-O 2.9Å; R661-A800 PolarHBondContact NH2-O 3.02Å; R661-P801 PolarHBondContact NH1-O 3.27Å; R661-L802 HydrophobicContact CG-CD1 4.02Å
662	W	98.8	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.3	-38	177.7	-146.5	-30.9	0	0	0	111.5	N618 D624 M625 D646 I647 C648 L658 C659 A660 Q664 L665 G666 Y669	N618-W662 WeakPolarHBondContact ND2-CH2 3.08Å; N618-W662 WeakPolarHBondContact ND2-CZ2 3.43Å; D624-W662 HydrophobicContact CB-CH2 4.08Å; M625-W662 HydrophobicContact CB-CD2 3.89Å; M625-W662 HydrophobicContact CB-CE3 3.96Å; M625-W662 HydrophobicContact CB-CG 4.48Å; M625-W662 HydrophobicContact CB-CH2 4.09Å; M625-W662 HydrophobicContact CB-CZ2 4.04Å; M625-W662 HydrophobicContact CB-CZ3 4.07Å; M625-W662 HydrophobicContact CG-CB 4.39Å; M625-W662 HydrophobicContact CG-CD2 3.76Å; M625-W662 HydrophobicContact CG-CE3 4.25Å; M625-W662 HydrophobicContact CG-CG 3.83Å; M625-W662 HydrophobicContact CG-CZ2 4.48Å; M625-W662 HydrophobicContact SD-CB 3.86Å; M625-W662 HydrophobicContact SD-CD2 4.26Å; M625-W662 HydrophobicContact SD-CG 3.96Å; D646-W662 WeakPolarHBondContact O-CZ2 3.46Å; I647-W662 HydrophobicContact CG2-CB 4.02Å; I647-W662 HydrophobicContact CG2-CG 4.07Å; C648-W662 VanDerWaalsContact C-CE3 3.49Å; C648-W662 VanDerWaalsContact N-CG 3.33Å; L658-W662 HydrophobicContact CD1-CE3 4.13Å; L658-W662 HydrophobicContact CD2-CE3 4.5Å; L658-W662 HydrophobicContact CD2-CZ3 4.45Å; L658-W662 HydrophobicContact CG-CE3 4.15Å; L658-W662 WeakPolarHBondContact O-CB 3.48Å; L658-W662 PolarHBondContact O-N 3.28Å; C659-W662 PolarHBondContact O-N 2.89Å; A660-W662 VanDerWaalsContact C-N 3.31Å; A660-W662 PolarHBondContact O-N 3.23Å; W662-Q664 VanDerWaalsContact C-N 3.28Å; W662-Q664 PolarHBondContact O-N 3Å; W662-L665 PolarHBondContact O-N 3.06Å; W662-G666 WeakPolarHBondContact O-CA 3.34Å; W662-G666 PolarHBondContact O-N 2.67Å; W662-Y669 AromaticContact NE1-CE2 3.98Å; W662-Y669 AromaticContact NE1-CZ 3.99Å; W662-Y669 PolarHBondContact NE1-OH 3.38Å
663	H	98.8	Very high	98.6	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-64.1	-32.5	172.1	-88.3	-66.1	0	0	0	113	F335 I647 C659 A660 A667 V697 A701	F335-H663 AromaticContact CE2-CE1 4Å; F335-H663 AromaticContact CZ-CE1 3.84Å; I647-H663 HydrophobicContact CG2-CB 4.49Å; C659-H663 PolarHBondContact O-CD2 3.23Å; C659-H663 VanDerWaalsContact O-CD2 3.32Å; C659-H663 PolarHBondContact O-N 2.98Å; A660-H663 PolarHBondContact O-N 2.74Å; H663-A667 VanDerWaalsContact O-CB 3.32Å; H663-A667 WeakPolarHBondContact O-CB 3.48Å; H663-A667 PolarHBondContact O-N 2.84Å; H663-V697 VanDerWaalsContact CD2-CG1 3.49Å; H663-V697 WeakPolarHBondContact CD2-CG1 3.44Å; H663-A701 HydrophobicContact CB-CB 4.04Å
664	Q	98.8	Very high	98.6	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-51.6	171.5	-69.5	176.5	-23.4	0	0	111.8	A660 R661 W662 F668 A700 S704 P801 L802 G804 P806	A660-Q664 WeakPolarHBondContact O-CG 3.39Å; A660-Q664 PolarHBondContact O-N 2.91Å; A660-Q664 VanDerWaalsContact O-N 3.1Å; R661-Q664 WeakPolarHBondContact O-CB 3.4Å; R661-Q664 PolarHBondContact O-N 3.18Å; W662-Q664 VanDerWaalsContact C-N 3.28Å; W662-Q664 PolarHBondContact O-N 3Å; Q664-F668 WeakPolarHBondContact O-CD2 3.33Å; Q664-A700 HydrophobicContact CG-CB 4.35Å; Q664-S704 WeakPolarHBondContact CA-OG 3.47Å; Q664-P801 PolarHBondContact NE2-O 3.25Å; Q664-L802 PolarHBondContact NE2-O 3.19Å; Q664-G804 WeakPolarHBondContact CG-O 3.28Å; Q664-G804 PolarHBondContact NE2-O 3.24Å; Q664-P806 HydrophobicContact CB-CB 4.35Å; Q664-P806 HydrophobicContact CB-CG 4.39Å; Q664-P806 WeakPolarHBondContact O-CD 3.34Å; Q664-P806 WeakPolarHBondContact O-CG 3.42Å
665	L	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.8	-53.9	178.3	169.1	57.7	0	0	0	111.9	M625 I629 R661 W662 A667 F668 Y669 F750 P760 L762	M625-L665 HydrophobicContact CG-CD2 3.71Å; M625-L665 WeakPolarHBondContact O-CD2 3.33Å; I629-L665 HydrophobicContact CD1-CD1 4.1Å; I629-L665 HydrophobicContact CD1-CD2 4.31Å; I629-L665 HydrophobicContact CG1-CD1 4.02Å; I629-L665 HydrophobicContact CG1-CD2 4.12Å; R661-L665 PolarHBondContact O-N 2.9Å; W662-L665 PolarHBondContact O-N 3.06Å; L665-A667 VanDerWaalsContact C-N 3.26Å; L665-A667 PolarHBondContact O-N 3.12Å; L665-F668 WeakPolarHBondContact O-CA 3.45Å; L665-F668 WeakPolarHBondContact O-CB 3.18Å; L665-F668 PolarHBondContact O-N 3.31Å; L665-Y669 HydrophobicContact CD1-CE1 3.98Å; L665-Y669 HydrophobicContact CD2-CE1 4.18Å; L665-Y669 VanDerWaalsContact CD2-OH 3.28Å; L665-Y669 WeakPolarHBondContact CD2-OH 3.37Å; L665-Y669 HydrophobicContact CG-CE1 3.75Å; L665-F750 HydrophobicContact CD1-CE1 3.64Å; L665-F750 HydrophobicContact CD1-CZ 4.04Å; L665-P760 HydrophobicContact CB-CB 4.27Å; L665-P760 HydrophobicContact CD1-CB 4.04Å; L665-P760 HydrophobicContact CD1-CG 3.97Å; L665-L762 HydrophobicContact CD2-CD2 3.95Å
666	G	98.7	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.5	-23.1	-170.4	0	0	0	0	0	114.1	W662 F668 Y669 S672	W662-G666 WeakPolarHBondContact O-CA 3.34Å; W662-G666 PolarHBondContact O-N 2.67Å; G666-F668 PolarHBondContact O-N 3.32Å; G666-Y669 VanDerWaalsContact CA-CD2 3.48Å; G666-Y669 PolarHBondContact O-N 2.52Å; G666-S672 WeakPolarHBondContact O-CB 3.14Å; G666-S672 PolarHBondContact O-OG 3.16Å
667	A	98.8	Very high	98.6	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.008	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-16.5	166.7	0	0	0	0	0	113	H663 L665 L705 R708	H663-A667 VanDerWaalsContact O-CB 3.32Å; H663-A667 WeakPolarHBondContact O-CB 3.48Å; H663-A667 PolarHBondContact O-N 2.84Å; L665-A667 VanDerWaalsContact C-N 3.26Å; L665-A667 PolarHBondContact O-N 3.12Å; A667-L705 HydrophobicContact CB-CD2 4.06Å; A667-R708 WeakPolarHBondContact O-CB 2.99Å; A667-R708 WeakPolarHBondContact O-CD 3.45Å; A667-R708 WeakPolarHBondContact O-CG 3.23Å; A667-R708 PolarHBondContact O-NH1 2.75Å
668	F	98.8	Very high	98.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	6.7	176.3	-65.2	-90.2	0	0	0	114	Q664 L665 G666 L707 F750 W752 I758 P806 V808	Q664-F668 WeakPolarHBondContact O-CD2 3.33Å; L665-F668 WeakPolarHBondContact O-CA 3.45Å; L665-F668 WeakPolarHBondContact O-CB 3.18Å; L665-F668 PolarHBondContact O-N 3.31Å; G666-F668 PolarHBondContact O-N 3.32Å; F668-L707 HydrophobicContact CZ-CB 4.43Å; F668-L707 HydrophobicContact CZ-CD2 3.87Å; F668-L707 HydrophobicContact CZ-CG 4.06Å; F668-F750 HydrophobicContact CB-CE2 3.95Å; F668-F750 HydrophobicContact CB-CZ 3.75Å; F668-W752 HydrophobicContact CB-CZ2 4.11Å; F668-W752 HydrophobicContact CD1-CD2 4.48Å; F668-W752 HydrophobicContact CD1-CH2 4.01Å; F668-W752 AromaticContact CD1-CZ2 3.95Å; F668-W752 HydrophobicContact CD1-CZ2 3.95Å; F668-W752 HydrophobicContact CD1-CZ3 4.31Å; F668-W752 HydrophobicContact CG-CZ2 4.44Å; F668-W752 WeakPolarHBondContact O-CZ2 3.38Å; F668-W752 PolarHBondContact O-NE1 2.97Å; F668-I758 HydrophobicContact CB-CG1 4.1Å; F668-I758 HydrophobicContact CB-CG2 4.33Å; F668-I758 HydrophobicContact CD1-CD1 4.23Å; F668-I758 HydrophobicContact CD1-CG1 3.6Å; F668-I758 HydrophobicContact CD2-CG2 4.29Å; F668-I758 HydrophobicContact CE1-CG1 4.21Å; F668-I758 HydrophobicContact CG-CG1 3.85Å; F668-I758 HydrophobicContact CG-CG2 4.16Å; F668-P806 HydrophobicContact CD2-CG 3.74Å; F668-P806 HydrophobicContact CE2-CG 3.51Å; F668-P806 HydrophobicContact CZ-CG 4.45Å; F668-V808 HydrophobicContact CE1-CG2 3.86Å; F668-V808 HydrophobicContact CE2-CG2 4.19Å; F668-V808 HydrophobicContact CZ-CG2 3.57Å
669	Y	98.9	Very high	98.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-71.5	137.1	164.2	-62.3	-26.5	0	0	0	110.2	S628 M632 A645 I647 W662 L665 G666 F671 R708	S628-Y669 WeakPolarHBondContact CB-OH 3.49Å; S628-Y669 PolarHBondContact OG-OH 2.91Å; M632-Y669 HydrophobicContact CE-CD1 4.29Å; M632-Y669 HydrophobicContact SD-CD1 3.76Å; A645-Y669 HydrophobicContact CB-CE2 4.1Å; I647-Y669 HydrophobicContact CG1-CD2 4.33Å; I647-Y669 HydrophobicContact CG1-CE2 4.12Å; W662-Y669 AromaticContact NE1-CE2 3.98Å; W662-Y669 AromaticContact NE1-CZ 3.99Å; W662-Y669 PolarHBondContact NE1-OH 3.38Å; L665-Y669 HydrophobicContact CD1-CE1 3.98Å; L665-Y669 HydrophobicContact CD2-CE1 4.18Å; L665-Y669 VanDerWaalsContact CD2-OH 3.28Å; L665-Y669 WeakPolarHBondContact CD2-OH 3.37Å; L665-Y669 HydrophobicContact CG-CE1 3.75Å; G666-Y669 VanDerWaalsContact CA-CD2 3.48Å; G666-Y669 PolarHBondContact O-N 2.52Å; Y669-F671 WeakPolarHBondContact CB-O 3.41Å; Y669-F671 PolarHBondContact O-N 3.42Å; Y669-R708 PolarHBondContact O-NH1 2.98Å; Y669-R708 PolarHBondContact O-NH2 2.85Å
670	P	98.7	Very high	97.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-51.8	-45.1	171.1	-28.3	35.3	0	0	0	112.6	M632 P641 V643 R708 F719 V730	M632-P670 VanDerWaalsContact SD-CD 3.51Å; P641-P670 WeakPolarHBondContact O-CB 3.36Å; P641-P670 WeakPolarHBondContact O-CG 3.19Å; V643-P670 WeakPolarHBondContact O-CD 3.23Å; P670-R708 PolarHBondContact O-NH2 2.79Å; P670-F719 HydrophobicContact CB-CE2 4.14Å; P670-F719 HydrophobicContact CB-CZ 3.81Å; P670-V730 HydrophobicContact CG-CG2 3.39Å
671	F	98.8	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-97.1	104.4	166	175.9	-125.6	0	0	0	110.8	H336 F597 L599 W614 F642 V643 G644 Y669 R673	H336-F671 HydrophobicContact CB-CE2 4.43Å; H336-F671 AromaticContact CE1-CE2 3.95Å; H336-F671 AromaticContact ND1-CE2 3.58Å; F597-F671 HydrophobicContact CZ-CD2 4.39Å; F597-F671 HydrophobicContact CZ-CE2 4.03Å; L599-F671 HydrophobicContact CD1-CD1 4.21Å; L599-F671 HydrophobicContact CD1-CE1 3.91Å; L599-F671 HydrophobicContact CD1-CE2 4.47Å; L599-F671 HydrophobicContact CD1-CZ 4.02Å; L599-F671 HydrophobicContact CD2-CE1 3.83Å; L599-F671 HydrophobicContact CD2-CE2 4.34Å; L599-F671 HydrophobicContact CD2-CZ 3.48Å; L599-F671 VanDerWaalsContact CD2-CZ 3.48Å; L599-F671 HydrophobicContact CG-CZ 4.39Å; W614-F671 HydrophobicContact CB-CD1 4.09Å; W614-F671 HydrophobicContact CB-CE1 3.74Å; F642-F671 HydrophobicContact CD1-CB 3.83Å; F642-F671 HydrophobicContact CD1-CD2 4.36Å; F642-F671 HydrophobicContact CD1-CG 4.35Å; F642-F671 HydrophobicContact CE1-CB 3.57Å; F642-F671 AromaticContact CE1-CD2 3.41Å; F642-F671 HydrophobicContact CE1-CD2 3.41Å; F642-F671 VanDerWaalsContact CE1-CD2 3.41Å; F642-F671 HydrophobicContact CE1-CE2 4.34Å; F642-F671 AromaticContact CE1-CG 3.79Å; F642-F671 HydrophobicContact CE1-CG 3.79Å; F642-F671 HydrophobicContact CZ-CB 4.2Å; F642-F671 AromaticContact CZ-CD2 3.95Å; F642-F671 HydrophobicContact CZ-CD2 3.95Å; V643-F671 PolarHBondContact O-N 2.98Å; G644-F671 WeakPolarHBondContact CA-O 3.3Å; Y669-F671 WeakPolarHBondContact CB-O 3.41Å; Y669-F671 PolarHBondContact O-N 3.42Å; F671-R673 HydrophobicContact CD1-CB 4.46Å; F671-R673 HydrophobicContact CE1-CB 3.77Å; F671-R673 HydrophobicContact CE2-CB 3.95Å; F671-R673 HydrophobicContact CZ-CB 3.51Å; F671-R673 HydrophobicContact CZ-CG 4.12Å
672	S	98.8	Very high	96.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	88.6	-175.7	173.9	0	0	0	0	111.1	F335 H336 G666	F335-S672 WeakPolarHBondContact CD2-O 3.47Å; H336-S672 PolarHBondContact N-O 2.82Å; G666-S672 WeakPolarHBondContact O-CB 3.14Å; G666-S672 PolarHBondContact O-OG 3.16Å
673	R	98.6	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.7	179.3	-177.8	-178.4	68.7	178.7	4.6	112.6	H336 C338 D646 I647 F671 H675	H336-R673 HydrophobicContact CB-CB 3.81Å; H336-R673 HydrophobicContact CB-CG 3.95Å; H336-R673 VanDerWaalsContact O-CA 3.31Å; H336-R673 WeakPolarHBondContact O-CA 3.44Å; C338-R673 HydrophobicContact CB-CG 4.34Å; D646-R673 VanDerWaalsContact CG-NH2 3.29Å; D646-R673 IonicContact OD1-CZ 3.6Å; D646-R673 IonicContact OD1-NE 2.66Å; D646-R673 PolarHBondContact OD1-NE 3.49Å; D646-R673 IonicContact OD1-NH2 3.63Å; D646-R673 PolarHBondContact OD1-NH2 2.72Å; D646-R673 IonicContact OD2-NH2 2.74Å; D646-R673 PolarHBondContact OD2-NH2 3.31Å; D646-R673 VanDerWaalsContact OD2-NH2 3.12Å; I647-R673 WeakPolarHBondContact CB-O 3.31Å; I647-R673 WeakPolarHBondContact CG1-O 3.33Å; I647-R673 PolarHBondContact N-O 2.69Å; F671-R673 HydrophobicContact CD1-CB 4.46Å; F671-R673 HydrophobicContact CE1-CB 3.77Å; F671-R673 HydrophobicContact CE2-CB 3.95Å; F671-R673 HydrophobicContact CZ-CB 3.51Å; F671-R673 HydrophobicContact CZ-CG 4.12Å; R673-H675 HydrophobicContact CG-CB 4.13Å
674	N	98.7	Very high	95.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.2	158.6	171.3	-101.2	0	0	0	109	F335 H336 L337 C338 I647 Q689	F335-N674 HydrophobicContact CE2-CB 4.19Å; F335-N674 HydrophobicContact CZ-CB 3.68Å; H336-N674 PolarHBondContact O-N 3.17Å; L337-N674 HydrophobicContact CD1-CB 4.06Å; L337-N674 VanDerWaalsContact CD1-OD1 3.25Å; L337-N674 WeakPolarHBondContact CD1-OD1 3.36Å; C338-N674 PolarHBondContact N-O 2.87Å; I647-N674 HydrophobicContact CB-CB 4.27Å; I647-N674 PolarHBondContact O-ND2 3.22Å; N674-Q689 PolarHBondContact ND2-O 2.94Å; N674-Q689 PolarHBondContact OD1-O 3.14Å
675	H	98.4	Very high	95.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.184	C	C	.	.			trans	-154.7	133.6	-179.5	-177.6	40.5	0	0	0	108.7	C338 R339 Y340 D368 W496 D646 F650 R673	C338-H675 HydrophobicContact CB-CB 3.92Å; C338-H675 WeakPolarHBondContact CB-ND1 3.25Å; C338-H675 WeakPolarHBondContact O-CA 3.25Å; C338-H675 PolarHBondContact SG-CE1 2.9Å; C338-H675 PolarHBondContact SG-ND1 2.93Å; R339-H675 WeakPolarHBondContact CA-ND1 3.36Å; R339-H675 PolarHBondContact N-ND1 2.76Å; Y340-H675 PolarHBondContact N-CE1 2.85Å; Y340-H675 VanDerWaalsContact N-CE1 3.34Å; D368-H675 IonicContact OD2-CE1 3.55Å; D368-H675 PolarHBondContact OD2-CE1 3.08Å; D368-H675 IonicContact OD2-NE2 2.58Å; D368-H675 PolarHBondContact OD2-NE2 2.82Å; W496-H675 AromaticContact CH2-NE2 3.68Å; D646-H675 HydrophobicContact CB-CB 4.14Å; D646-H675 WeakPolarHBondContact OD1-CB 3.44Å; D646-H675 IonicContact OD2-CD2 3.28Å; D646-H675 PolarHBondContact OD2-CD2 2.69Å; D646-H675 VanDerWaalsContact OD2-CD2 3.31Å; D646-H675 IonicContact OD2-CG 3.69Å; F650-H675 AromaticContact CD2-CD2 3.7Å; F650-H675 AromaticContact CD2-NE2 3.67Å; F650-H675 AromaticContact CE2-NE2 3.49Å; F650-H675 WeakPolarHBondContact CE2-NE2 3.34Å; R673-H675 HydrophobicContact CG-CB 4.13Å
676	N	97.5	Very high	95	Very high	2 Å²	2	34 Å²	34	1%	0.011	18%	0.184	C	C	.	.			trans	-138	157.3	179	83.8	-83	0	0	0	111.6	R339 Y340 Q686 I687 Q689	R339-N676 PolarHBondContact NH1-ND2 2.85Å; R339-N676 PolarHBondContact NH1-OD1 3.05Å; Y340-N676 PolarHBondContact N-O 2.84Å; N676-Q686 PolarHBondContact ND2-OE1 3.48Å; N676-I687 PolarHBondContact ND2-O 3.49Å; N676-Q689 HydrophobicContact CB-CB 4.05Å; N676-Q689 HydrophobicContact CB-CG 3.82Å
677	G	96.2	Very high	94.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	20%	0.195	C	C	.	.			trans	-76.5	170.9	-176.4	0	0	0	0	0	114.4	Y340 F650 Q686	Y340-G677 CarbonylContact O-C 3.5Å; F650-G677 WeakPolarHBondContact O-CA 3.21Å; F650-G677 PolarHBondContact O-N 3.26Å; G677-Q686 WeakPolarHBondContact O-CB 3.31Å; G677-Q686 VanDerWaalsContact O-CD 3.28Å; G677-Q686 PolarHBondContact O-OE1 3.16Å; G677-Q686 VanDerWaalsContact O-OE1 3.1Å
678	K	95.5	Very high	94.7	Very high	72 Å²	72	38.2 Å²	38.2	31%	0.313	21%	0.206	S	C	.	.	S	Bend	trans	-83.1	-46.2	-177.3	-174.4	175.4	-174.7	159.4	0	113.1	Y340 D370 Y685 Q686	Y340-K678 HydrophobicContact CD1-CB 3.67Å; Y340-K678 HydrophobicContact CD2-CB 4.25Å; Y340-K678 HydrophobicContact CD2-CD 4.37Å; Y340-K678 HydrophobicContact CE1-CB 3.73Å; Y340-K678 HydrophobicContact CE1-CD 4.28Å; Y340-K678 HydrophobicContact CE2-CB 4.27Å; Y340-K678 HydrophobicContact CE2-CD 3.78Å; Y340-K678 HydrophobicContact CG-CB 3.93Å; Y340-K678 WeakPolarHBondContact O-CA 3.14Å; Y340-K678 WeakPolarHBondContact O-CB 3.42Å; Y340-K678 PolarHBondContact O-N 3.07Å; Y340-K678 VanDerWaalsContact O-N 3.13Å; D370-K678 IonicContact OD1-NZ 3.2Å; K678-Y685 HydrophobicContact CG-CD2 4.22Å; K678-Y685 HydrophobicContact CG-CE2 3.75Å; K678-Y685 WeakPolarHBondContact O-CA 3.47Å; K678-Y685 WeakPolarHBondContact O-CD2 3.28Å; K678-Q686 PolarHBondContact O-N 3.27Å
679	T	92.9	Very high	94.6	Very high	74 Å²	74	38.2 Å²	38.2	45%	0.454	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-128.8	147.2	-175.4	49.9	0	0	0	0	111.4	N684 Q686	T679-N684 CarbonylContact C-O 3.49Å; T679-N684 WeakPolarHBondContact CA-O 3.21Å; T679-Q686 PolarHBondContact O-NE2 3.32Å
680	T	89.6	Confident	94.6	Very high	13 Å²	13	38.6 Å²	38.6	8%	0.08	21%	0.208	C	C	.	.			trans	-75.2	166.6	167.6	70.6	0	0	0	0	110.1	E682 G683 N684 Q686	T680-E682 PolarHBondContact O-N 3.25Å; T680-E682 VanDerWaalsContact O-N 3.1Å; T680-E682 PolarHBondContact OG1-N 2.97Å; T680-G683 PolarHBondContact O-N 3.49Å; T680-N684 HydrophobicContact CG2-CB 4.39Å; T680-N684 PolarHBondContact N-O 2.81Å; T680-N684 PolarHBondContact OG1-N 3.14Å; T680-Q686 HydrophobicContact CG2-CG 3.81Å
681	D	81.5	Confident	94.5	Very high	145 Å²	145	38.6 Å²	38.6	78%	0.775	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21	174.2	-63.7	-23.6	0	0	0	113.1	G683	D681-G683 VanDerWaalsContact C-N 3.27Å
682	E	84.4	Confident	94.5	Very high	158 Å²	158	39.3 Å²	39.3	74%	0.738	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.1	176.9	-58.7	152.4	172.9	0	0	112.5	T680 N684	T680-E682 PolarHBondContact O-N 3.25Å; T680-E682 VanDerWaalsContact O-N 3.1Å; T680-E682 PolarHBondContact OG1-N 2.97Å; E682-N684 PolarHBondContact OE2-ND2 2.9Å
683	G	85.9	Confident	94.4	Very high	58 Å²	58	45.1 Å²	45.1	60%	0.598	23%	0.234	S	C	*	.	S	Bend	trans	82.1	8.1	-177.2	0	0	0	0	0	114.5	T680 D681	T680-G683 PolarHBondContact O-N 3.49Å; D681-G683 VanDerWaalsContact C-N 3.27Å
684	N	92.4	Very high	94.3	Very high	92 Å²	92	47.6 Å²	47.6	49%	0.492	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-77.7	145.7	174.9	-64.9	-48.2	0	0	0	110.1	T679 T680 E682 Q686	T679-N684 CarbonylContact C-O 3.49Å; T679-N684 WeakPolarHBondContact CA-O 3.21Å; T680-N684 HydrophobicContact CG2-CB 4.39Å; T680-N684 PolarHBondContact N-O 2.81Å; T680-N684 PolarHBondContact OG1-N 3.14Å; E682-N684 PolarHBondContact OE2-ND2 2.9Å; N684-Q686 PolarHBondContact O-N 3.04Å
685	Y	94.9	Very high	94.3	Very high	94 Å²	94	53.8 Å²	53.8	37%	0.369	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-70.3	124	173.1	-169	-92.5	0	0	0	109.6	R339 G341 Q343 K678	R339-Y685 PolarHBondContact NE-OH 2.82Å; R339-Y685 VanDerWaalsContact NH2-CZ 3.29Å; R339-Y685 PolarHBondContact NH2-OH 3.15Å; R339-Y685 VanDerWaalsContact NH2-OH 3.15Å; G341-Y685 PolarHBondContact O-OH 3.27Å; Q343-Y685 PolarHBondContact NE2-OH 3.38Å; K678-Y685 HydrophobicContact CG-CD2 4.22Å; K678-Y685 HydrophobicContact CG-CE2 3.75Å; K678-Y685 WeakPolarHBondContact O-CA 3.47Å; K678-Y685 WeakPolarHBondContact O-CD2 3.28Å
686	Q	96.6	Very high	94.3	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.1	150.3	-175.4	-66.3	-171.1	14.7	0	0	111.6	R339 F650 D653 N676 G677 K678 T679 T680 N684	R339-Q686 PolarHBondContact NH2-O 3.38Å; F650-Q686 PolarHBondContact O-NE2 2.69Å; F650-Q686 PolarHBondContact O-OE1 3.19Å; D653-Q686 VanDerWaalsContact OD1-CA 3.29Å; D653-Q686 WeakPolarHBondContact OD1-CA 3.16Å; N676-Q686 PolarHBondContact ND2-OE1 3.48Å; G677-Q686 WeakPolarHBondContact O-CB 3.31Å; G677-Q686 VanDerWaalsContact O-CD 3.28Å; G677-Q686 PolarHBondContact O-OE1 3.16Å; G677-Q686 VanDerWaalsContact O-OE1 3.1Å; K678-Q686 PolarHBondContact O-N 3.27Å; T679-Q686 PolarHBondContact O-NE2 3.32Å; T680-Q686 HydrophobicContact CG2-CG 3.81Å; N684-Q686 PolarHBondContact O-N 3.04Å
687	I	96	Very high	94.3	Very high	44 Å²	44	55.7 Å²	55.7	23%	0.226	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-64.2	159.2	174.9	65.8	-177.3	0	0	0	112	R339 D653 N676 Q689 W694	R339-I687 PolarHBondContact NH1-O 3.24Å; D653-I687 HydrophobicContact CB-CD1 3.98Å; D653-I687 HydrophobicContact CB-CG1 4.13Å; D653-I687 WeakPolarHBondContact OD1-CG1 3.26Å; D653-I687 PolarHBondContact OD1-N 2.97Å; N676-I687 PolarHBondContact ND2-O 3.49Å; I687-Q689 HydrophobicContact CG1-CG 4.27Å; I687-Q689 PolarHBondContact O-N 2.78Å; I687-W694 HydrophobicContact CD1-CH2 3.61Å; I687-W694 HydrophobicContact CD1-CZ2 3.86Å
688	D	95.6	Very high	94.4	Very high	45 Å²	45	56.6 Å²	56.6	24%	0.241	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65	130.6	166.2	-69.8	-18.4	0	0	0	109.2	R339 R354 R693	R339-D688 IonicContact CZ-OD1 3.23Å; R339-D688 IonicContact NH1-OD1 2.72Å; R339-D688 PolarHBondContact NH1-OD1 3.3Å; R354-D688 IonicContact NH2-OD2 3.09Å; D688-R693 VanDerWaalsContact O-CG 3.25Å; D688-R693 WeakPolarHBondContact O-CG 3.18Å
689	Q	97.3	Very high	94.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.			trans	-115.9	13.3	176.2	-48.9	-161.4	153.6	0	0	112.3	C648 G649 G652 T654 N674 N676 I687	C648-Q689 HydrophobicContact CB-CB 4.22Å; C648-Q689 PolarHBondContact O-NE2 2.98Å; C648-Q689 VanDerWaalsContact O-NE2 3.08Å; G649-Q689 PolarHBondContact O-NE2 3.44Å; G652-Q689 PolarHBondContact O-OE1 2.67Å; T654-Q689 HydrophobicContact CG2-CB 4.31Å; T654-Q689 VanDerWaalsContact CG2-CD 3.47Å; T654-Q689 HydrophobicContact CG2-CG 3.89Å; T654-Q689 VanDerWaalsContact CG2-OE1 3.27Å; N674-Q689 PolarHBondContact ND2-O 2.94Å; N674-Q689 PolarHBondContact OD1-O 3.14Å; N676-Q689 HydrophobicContact CB-CB 4.05Å; N676-Q689 HydrophobicContact CB-CG 3.82Å; I687-Q689 HydrophobicContact CG1-CG 4.27Å; I687-Q689 PolarHBondContact O-N 2.78Å
690	D	97.7	Very high	94.8	Very high	8 Å²	8	54 Å²	54	4%	0.043	28%	0.276	C	S	.	.	S	Bend	trans	-64.7	154.9	173.6	81.2	79.5	0	0	0	110.4	L337 V351 R354 T692 R693	L337-D690 HydrophobicContact CD1-CB 3.96Å; L337-D690 HydrophobicContact CD2-CB 4.47Å; V351-D690 HydrophobicContact CG1-CB 4.33Å; R354-D690 IonicContact NH2-OD2 3.41Å; R354-D690 PolarHBondContact NH2-OD2 3.09Å; R354-D690 VanDerWaalsContact NH2-OD2 3.08Å; D690-T692 PolarHBondContact O-N 2.97Å; D690-T692 WeakPolarHBondContact OD1-CA 3.39Å; D690-T692 VanDerWaalsContact OD1-CB 3.24Å; D690-T692 WeakPolarHBondContact OD1-CB 3.48Å; D690-T692 PolarHBondContact OD1-N 3.48Å; D690-T692 PolarHBondContact OD1-OG1 3.19Å; D690-R693 WeakPolarHBondContact O-CB 3.25Å; D690-R693 PolarHBondContact O-N 3.33Å
691	P	98	Very high	95.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.9	-175.4	-28.6	34.5	0	0	0	115.3	F335 M355 I360 R693 Q698 A701	F335-P691 HydrophobicContact CE1-CG 3.97Å; F335-P691 HydrophobicContact CZ-CG 3.91Å; M355-P691 HydrophobicContact CE-CB 4.46Å; M355-P691 HydrophobicContact CE-CG 3.98Å; M355-P691 HydrophobicContact SD-CB 3.95Å; M355-P691 HydrophobicContact SD-CG 3.84Å; I360-P691 HydrophobicContact CD1-CB 3.68Å; I360-P691 HydrophobicContact CG2-CB 4.33Å; P691-R693 VanDerWaalsContact C-N 3.31Å; P691-R693 PolarHBondContact O-N 3.32Å; P691-Q698 WeakPolarHBondContact O-CA 3.13Å; P691-Q698 WeakPolarHBondContact O-CG 3.2Å; P691-Q698 PolarHBondContact O-N 3.42Å; P691-A701 HydrophobicContact CB-CB 3.91Å; P691-A701 HydrophobicContact CG-CB 4.41Å
692	T	97.9	Very high	96	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.092	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.8	-176.7	74.4	0	0	0	0	114.3	R354 M355 Q358 I360 D690 W694 Q698	R354-T692 HydrophobicContact CB-CG2 3.92Å; R354-T692 PolarHBondContact NE-OG1 3.29Å; M355-T692 HydrophobicContact CG-CG2 4.19Å; M355-T692 HydrophobicContact SD-CG2 3.74Å; Q358-T692 HydrophobicContact CG-CG2 4.37Å; I360-T692 HydrophobicContact CD1-CG2 4.06Å; D690-T692 PolarHBondContact O-N 2.97Å; D690-T692 WeakPolarHBondContact OD1-CA 3.39Å; D690-T692 VanDerWaalsContact OD1-CB 3.24Å; D690-T692 WeakPolarHBondContact OD1-CB 3.48Å; D690-T692 PolarHBondContact OD1-N 3.48Å; D690-T692 PolarHBondContact OD1-OG1 3.19Å; T692-W694 PolarHBondContact O-N 3.07Å; T692-Q698 PolarHBondContact O-OE1 2.73Å
693	R	96.5	Very high	96.6	Very high	122 Å²	122	45.7 Å²	45.7	46%	0.46	23%	0.23	S	C	.	.	S	Bend	trans	-63.7	-41.4	-176.7	-179.6	63	173.4	164.8	0.9	113.7	D688 D690 P691	D688-R693 VanDerWaalsContact O-CG 3.25Å; D688-R693 WeakPolarHBondContact O-CG 3.18Å; D690-R693 WeakPolarHBondContact O-CB 3.25Å; D690-R693 PolarHBondContact O-N 3.33Å; P691-R693 VanDerWaalsContact C-N 3.31Å; P691-R693 PolarHBondContact O-N 3.32Å
694	W	97.9	Very high	97.2	Very high	53 Å²	53	42.9 Å²	42.9	20%	0.201	20%	0.202	C	C	.	.	S	Bend	trans	-133	143	-177.2	-62.1	-84.5	0	0	0	111.3	T654 E656 C659 I687 T692 T696 V697 Q698	T654-W694 HydrophobicContact CG2-CH2 3.83Å; T654-W694 HydrophobicContact CG2-CZ3 3.97Å; E656-W694 HydrophobicContact CB-CD2 4.02Å; E656-W694 HydrophobicContact CB-CG 4.07Å; E656-W694 HydrophobicContact CG-CB 3.83Å; E656-W694 HydrophobicContact CG-CD2 4.12Å; E656-W694 HydrophobicContact CG-CG 3.71Å; C659-W694 HydrophobicContact CB-CZ3 4.28Å; I687-W694 HydrophobicContact CD1-CH2 3.61Å; I687-W694 HydrophobicContact CD1-CZ2 3.86Å; T692-W694 PolarHBondContact O-N 3.07Å; W694-T696 VanDerWaalsContact C-N 3.28Å; W694-T696 PolarHBondContact O-N 2.93Å; W694-V697 HydrophobicContact CB-CB 4.23Å; W694-V697 HydrophobicContact CB-CG2 3.96Å; W694-V697 HydrophobicContact CD2-CG2 4.37Å; W694-V697 HydrophobicContact CE3-CB 4.43Å; W694-V697 HydrophobicContact CE3-CG2 3.74Å; W694-V697 PolarHBondContact O-N 3.14Å; W694-V697 VanDerWaalsContact O-N 3.1Å; W694-Q698 WeakPolarHBondContact O-CG 3.1Å; W694-Q698 PolarHBondContact O-N 3.05Å
695	D	97.7	Very high	97.5	Very high	131 Å²	131	38.6 Å²	38.6	70%	0.701	18%	0.179	S	C	*	.	H	α-helix	trans	-58.8	-37.8	-179.2	-72.5	-19.8	0	0	0	113.4	Q698 E699	D695-Q698 PolarHBondContact O-N 3.1Å; D695-Q698 PolarHBondContact OD1-NE2 2.95Å; D695-E699 PolarHBondContact O-N 3.26Å; D695-E699 VanDerWaalsContact O-N 3.09Å
696	T	97.8	Very high	97.7	Very high	42 Å²	42	35.7 Å²	35.7	26%	0.258	17%	0.174	S	C	.	.	H	α-helix	trans	-68.9	-37.2	178.1	62.1	0	0	0	0	112.2	E656 W694 E699 A700	E656-T696 WeakPolarHBondContact CG-OG1 3.2Å; E656-T696 WeakPolarHBondContact OE1-CB 3.24Å; E656-T696 VanDerWaalsContact OE1-CG2 3.24Å; E656-T696 WeakPolarHBondContact OE1-CG2 3.4Å; E656-T696 PolarHBondContact OE1-OG1 2.88Å; W694-T696 VanDerWaalsContact C-N 3.28Å; W694-T696 PolarHBondContact O-N 2.93Å; T696-E699 PolarHBondContact O-N 3.49Å; T696-A700 WeakPolarHBondContact O-CB 3.31Å; T696-A700 PolarHBondContact O-N 3.26Å
697	V	98.4	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.5	-40.2	176.7	-178.5	0	0	0	0	110.5	E656 C659 A660 H663 W694 E699 A700 A701	E656-V697 HydrophobicContact CG-CG2 4.29Å; E656-V697 WeakPolarHBondContact O-CG2 2.84Å; C659-V697 HydrophobicContact CB-CG2 4.13Å; A660-V697 HydrophobicContact CB-CG2 3.97Å; H663-V697 VanDerWaalsContact CD2-CG1 3.49Å; H663-V697 WeakPolarHBondContact CD2-CG1 3.44Å; W694-V697 HydrophobicContact CB-CB 4.23Å; W694-V697 HydrophobicContact CB-CG2 3.96Å; W694-V697 HydrophobicContact CD2-CG2 4.37Å; W694-V697 HydrophobicContact CE3-CB 4.43Å; W694-V697 HydrophobicContact CE3-CG2 3.74Å; W694-V697 PolarHBondContact O-N 3.14Å; W694-V697 VanDerWaalsContact O-N 3.1Å; V697-E699 VanDerWaalsContact C-N 3.31Å; V697-E699 PolarHBondContact O-N 2.85Å; V697-A700 PolarHBondContact O-N 3.26Å; V697-A701 WeakPolarHBondContact O-CB 3.42Å; V697-A701 PolarHBondContact O-N 3.3Å
698	Q	98.3	Very high	97.8	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.093	17%	0.167	C	C	.	.	H	α-helix	trans	-55.8	-47.6	172.9	-70.2	176.8	143.4	0	0	111.1	I360 P691 T692 W694 D695 R702	I360-Q698 HydrophobicContact CD1-CB 4.26Å; I360-Q698 HydrophobicContact CD1-CG 4.17Å; P691-Q698 WeakPolarHBondContact O-CA 3.13Å; P691-Q698 WeakPolarHBondContact O-CG 3.2Å; P691-Q698 PolarHBondContact O-N 3.42Å; T692-Q698 PolarHBondContact O-OE1 2.73Å; W694-Q698 WeakPolarHBondContact O-CG 3.1Å; W694-Q698 PolarHBondContact O-N 3.05Å; D695-Q698 PolarHBondContact O-N 3.1Å; D695-Q698 PolarHBondContact OD1-NE2 2.95Å; Q698-R702 WeakPolarHBondContact O-CB 3.5Å; Q698-R702 PolarHBondContact O-N 2.86Å
699	E	98	Very high	98	Very high	91 Å²	91	32.3 Å²	32.3	43%	0.425	16%	0.156	S	C	.	.	H	α-helix	trans	-64.5	-48.9	179.5	-166.9	-174.6	-172.7	0	0	111.6	D695 T696 V697 A701 R702 N703	D695-E699 PolarHBondContact O-N 3.26Å; D695-E699 VanDerWaalsContact O-N 3.09Å; T696-E699 PolarHBondContact O-N 3.49Å; V697-E699 VanDerWaalsContact C-N 3.31Å; V697-E699 PolarHBondContact O-N 2.85Å; E699-A701 PolarHBondContact O-N 2.65Å; E699-R702 PolarHBondContact O-N 2.84Å; E699-N703 WeakPolarHBondContact O-CB 3.46Å; E699-N703 VanDerWaalsContact O-CG 3.32Å; E699-N703 PolarHBondContact O-N 3.2Å; E699-N703 PolarHBondContact O-ND2 3.49Å
700	A	98.3	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-48.1	178.8	0	0	0	0	0	111.9	A660 Q664 T696 V697 S704 L802	A660-A700 HydrophobicContact CB-CB 3.96Å; Q664-A700 HydrophobicContact CG-CB 4.35Å; T696-A700 WeakPolarHBondContact O-CB 3.31Å; T696-A700 PolarHBondContact O-N 3.26Å; V697-A700 PolarHBondContact O-N 3.26Å; A700-S704 WeakPolarHBondContact O-CB 3.45Å; A700-S704 PolarHBondContact O-N 2.77Å; A700-S704 PolarHBondContact O-OG 3.28Å; A700-L802 VanDerWaalsContact CB-O 3.3Å; A700-L802 WeakPolarHBondContact CB-O 3.45Å
701	A	98.5	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-50.2	178.7	0	0	0	0	0	111.2	H663 P691 V697 E699 N703 S704 L705	H663-A701 HydrophobicContact CB-CB 4.04Å; P691-A701 HydrophobicContact CB-CB 3.91Å; P691-A701 HydrophobicContact CG-CB 4.41Å; V697-A701 WeakPolarHBondContact O-CB 3.42Å; V697-A701 PolarHBondContact O-N 3.3Å; E699-A701 PolarHBondContact O-N 2.65Å; A701-N703 PolarHBondContact O-N 3.17Å; A701-S704 PolarHBondContact O-N 3.33Å; A701-L705 WeakPolarHBondContact O-CB 3.2Å; A701-L705 WeakPolarHBondContact O-CG 3.42Å; A701-L705 PolarHBondContact O-N 3.06Å
702	R	98.1	Very high	98.1	Very high	86 Å²	86	34.2 Å²	34.2	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-58.2	-46.9	-179.9	-177.9	175.2	58.8	-156.5	-7.1	111.9	I360 Q698 E699 A706	I360-R702 HydrophobicContact CG1-CB 4.45Å; Q698-R702 WeakPolarHBondContact O-CB 3.5Å; Q698-R702 PolarHBondContact O-N 2.86Å; E699-R702 PolarHBondContact O-N 2.84Å; R702-A706 WeakPolarHBondContact O-CB 3.38Å; R702-A706 PolarHBondContact O-N 3.45Å
703	N	97.4	Very high	98.1	Very high	56 Å²	56	33.6 Å²	33.6	30%	0.299	16%	0.159	S	C	.	.	H	α-helix	trans	-72.4	-38.6	-176.7	-68.6	-20.3	0	0	0	112.2	E699 A701 L707 G803	E699-N703 WeakPolarHBondContact O-CB 3.46Å; E699-N703 VanDerWaalsContact O-CG 3.32Å; E699-N703 PolarHBondContact O-N 3.2Å; E699-N703 PolarHBondContact O-ND2 3.49Å; A701-N703 PolarHBondContact O-N 3.17Å; N703-L707 PolarHBondContact O-N 2.77Å; N703-G803 PolarHBondContact ND2-O 2.83Å
704	S	98.5	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.4	-42	177.4	-52.6	0	0	0	0	111.9	Q664 A700 A701 L707 R708 P805	Q664-S704 WeakPolarHBondContact CA-OG 3.47Å; A700-S704 WeakPolarHBondContact O-CB 3.45Å; A700-S704 PolarHBondContact O-N 2.77Å; A700-S704 PolarHBondContact O-OG 3.28Å; A701-S704 PolarHBondContact O-N 3.33Å; S704-L707 PolarHBondContact O-N 3.09Å; S704-R708 PolarHBondContact O-N 2.84Å; S704-P805 WeakPolarHBondContact OG-CA 3.42Å
705	L	98.7	Very high	98.3	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-37.7	174.9	-67.8	174.5	0	0	0	111.6	F335 I360 P361 A667 A701 L707 R708 Y709	F335-L705 HydrophobicContact CB-CD1 3.99Å; F335-L705 HydrophobicContact CB-CD2 3.92Å; F335-L705 HydrophobicContact CD1-CD1 4.18Å; F335-L705 HydrophobicContact CD2-CD1 4.02Å; F335-L705 HydrophobicContact CD2-CD2 3.92Å; F335-L705 HydrophobicContact CG-CD1 3.79Å; F335-L705 HydrophobicContact CG-CD2 4.15Å; I360-L705 HydrophobicContact CG2-CD1 3.92Å; P361-L705 HydrophobicContact CB-CB 4.32Å; P361-L705 HydrophobicContact CG-CB 4.02Å; A667-L705 HydrophobicContact CB-CD2 4.06Å; A701-L705 WeakPolarHBondContact O-CB 3.2Å; A701-L705 WeakPolarHBondContact O-CG 3.42Å; A701-L705 PolarHBondContact O-N 3.06Å; L705-L707 VanDerWaalsContact C-N 3.25Å; L705-L707 PolarHBondContact O-N 3.4Å; L705-R708 WeakPolarHBondContact O-CB 3.29Å; L705-R708 PolarHBondContact O-N 3.49Å; L705-Y709 HydrophobicContact CB-CD2 4.4Å; L705-Y709 HydrophobicContact CB-CE2 4.39Å; L705-Y709 HydrophobicContact CD2-CE2 4.35Å; L705-Y709 WeakPolarHBondContact O-CB 3.21Å; L705-Y709 WeakPolarHBondContact O-CD2 3.48Å; L705-Y709 PolarHBondContact O-N 2.95Å
706	A	97.7	Very high	98.3	Very high	32 Å²	32	19.8 Å²	19.8	26%	0.264	10%	0.097	S	C	.	.	H	α-helix	trans	-57.1	-42.2	172.8	0	0	0	0	0	111.4	R702 Y709 Y710 P821	R702-A706 WeakPolarHBondContact O-CB 3.38Å; R702-A706 PolarHBondContact O-N 3.45Å; A706-Y709 PolarHBondContact O-N 3.12Å; A706-Y710 WeakPolarHBondContact O-CB 3.34Å; A706-Y710 PolarHBondContact O-N 2.91Å; A706-P821 HydrophobicContact CB-CG 4.29Å
707	L	97.9	Very high	98.4	Very high	19 Å²	19	18 Å²	18	10%	0.099	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-43.8	175.5	-170.6	58.2	0	0	0	112.2	F668 N703 S704 L705 Y709 Y710 Y711 P805 V808	F668-L707 HydrophobicContact CZ-CB 4.43Å; F668-L707 HydrophobicContact CZ-CD2 3.87Å; F668-L707 HydrophobicContact CZ-CG 4.06Å; N703-L707 PolarHBondContact O-N 2.77Å; S704-L707 PolarHBondContact O-N 3.09Å; L705-L707 VanDerWaalsContact C-N 3.25Å; L705-L707 PolarHBondContact O-N 3.4Å; L707-Y709 PolarHBondContact O-N 3.3Å; L707-Y710 WeakPolarHBondContact O-CB 3.43Å; L707-Y710 PolarHBondContact O-N 2.66Å; L707-Y711 HydrophobicContact CD1-CD2 3.99Å; L707-Y711 HydrophobicContact CD1-CE2 3.65Å; L707-Y711 WeakPolarHBondContact O-CD2 3.38Å; L707-Y711 PolarHBondContact O-N 3.01Å; L707-P805 HydrophobicContact CB-CB 4.41Å; L707-P805 HydrophobicContact CD2-CB 3.61Å; L707-P805 HydrophobicContact CD2-CG 3.88Å; L707-V808 HydrophobicContact CD2-CB 4.35Å; L707-V808 HydrophobicContact CD2-CG2 3.9Å
708	R	98.4	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-53.2	-53.9	172.4	177.8	-166.9	-177.3	82.3	-6	111	L333 A667 Y669 P670 S704 L705 Y710 Y711 L712 W752	L333-R708 PolarHBondContact O-NE 2.91Å; L333-R708 PolarHBondContact O-NH2 3.16Å; A667-R708 WeakPolarHBondContact O-CB 2.99Å; A667-R708 WeakPolarHBondContact O-CD 3.45Å; A667-R708 WeakPolarHBondContact O-CG 3.23Å; A667-R708 PolarHBondContact O-NH1 2.75Å; Y669-R708 PolarHBondContact O-NH1 2.98Å; Y669-R708 PolarHBondContact O-NH2 2.85Å; P670-R708 PolarHBondContact O-NH2 2.79Å; S704-R708 PolarHBondContact O-N 2.84Å; L705-R708 WeakPolarHBondContact O-CB 3.29Å; L705-R708 PolarHBondContact O-N 3.49Å; R708-Y710 PolarHBondContact O-N 2.98Å; R708-Y711 CarbonylContact O-C 3.58Å; R708-Y711 PolarHBondContact O-N 2.82Å; R708-L712 HydrophobicContact CG-CD2 4.45Å; R708-L712 PolarHBondContact O-N 3.07Å; R708-L712 VanDerWaalsContact O-N 3.09Å; R708-W752 HydrophobicContact CG-CH2 4.23Å
709	Y	98.7	Very high	98.4	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-64.1	-32.6	-174.9	-83.2	-118.4	0	0	0	111.9	G334 F335 P361 D363 L705 A706 L707 Y711 L712 T825	G334-Y709 WeakPolarHBondContact CA-OH 3.2Å; F335-Y709 HydrophobicContact CB-CE2 4.47Å; F335-Y709 PolarHBondContact N-OH 2.78Å; P361-Y709 HydrophobicContact CB-CD1 4.27Å; P361-Y709 HydrophobicContact CB-CD2 4.15Å; P361-Y709 HydrophobicContact CB-CE1 3.84Å; P361-Y709 HydrophobicContact CB-CE2 3.65Å; P361-Y709 HydrophobicContact CB-CG 4.4Å; P361-Y709 VanDerWaalsContact CB-CZ 3.46Å; D363-Y709 VanDerWaalsContact OD2-CE1 3.24Å; D363-Y709 WeakPolarHBondContact OD2-CE1 3.34Å; D363-Y709 PolarHBondContact OD2-OH 2.97Å; L705-Y709 HydrophobicContact CB-CD2 4.4Å; L705-Y709 HydrophobicContact CB-CE2 4.39Å; L705-Y709 HydrophobicContact CD2-CE2 4.35Å; L705-Y709 WeakPolarHBondContact O-CB 3.21Å; L705-Y709 WeakPolarHBondContact O-CD2 3.48Å; L705-Y709 PolarHBondContact O-N 2.95Å; A706-Y709 PolarHBondContact O-N 3.12Å; L707-Y709 PolarHBondContact O-N 3.3Å; Y709-Y711 VanDerWaalsContact C-N 3.28Å; Y709-Y711 PolarHBondContact O-N 2.93Å; Y709-L712 HydrophobicContact CD1-CD1 3.89Å; Y709-L712 HydrophobicContact CD2-CD1 4.34Å; Y709-L712 HydrophobicContact CE1-CD1 4.33Å; Y709-L712 HydrophobicContact CG-CD1 3.92Å; Y709-L712 PolarHBondContact O-N 2.89Å; Y709-T825 HydrophobicContact CE1-CG2 4.33Å
710	Y	98	Very high	98.4	Very high	48 Å²	48	15.6 Å²	15.6	19%	0.188	7%	0.074	C	C	.	.	H	α-helix	trans	-58.1	-43.8	173.6	-160.7	-171.3	0	0	0	111.6	A706 L707 R708 R818 Q819 E834	A706-Y710 WeakPolarHBondContact O-CB 3.34Å; A706-Y710 PolarHBondContact O-N 2.91Å; L707-Y710 WeakPolarHBondContact O-CB 3.43Å; L707-Y710 PolarHBondContact O-N 2.66Å; R708-Y710 PolarHBondContact O-N 2.98Å; Y710-R818 HydrophobicContact CD2-CB 3.71Å; Y710-R818 HydrophobicContact CD2-CG 3.89Å; Y710-R818 HydrophobicContact CE2-CB 3.93Å; Y710-R818 HydrophobicContact CE2-CG 3.54Å; Y710-R818 HydrophobicContact CG-CB 4.36Å; Y710-R818 VanDerWaalsContact CZ-CD 3.48Å; Y710-R818 VanDerWaalsContact CZ-NE 3.28Å; Y710-R818 CarbonylContact O-C 3.59Å; Y710-R818 WeakPolarHBondContact O-CA 3.45Å; Y710-R818 WeakPolarHBondContact O-CB 3.13Å; Y710-R818 VanDerWaalsContact OH-CZ 3.27Å; Y710-R818 PolarHBondContact OH-NE 3.06Å; Y710-R818 VanDerWaalsContact OH-NE 3.09Å; Y710-R818 PolarHBondContact OH-NH2 2.9Å; Y710-Q819 WeakPolarHBondContact CA-O 3.46Å; Y710-Q819 VanDerWaalsContact CD2-O 3.23Å; Y710-Q819 WeakPolarHBondContact CD2-O 3.19Å; Y710-Q819 PolarHBondContact O-N 2.82Å; Y710-E834 PolarHBondContact OH-OE2 2.9Å
711	Y	98.6	Very high	98.3	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.9	-176	-70.3	-76.7	0	0	0	114.8	L707 R708 Y709 P713 Y714 L715 M756 L816 R818 L836	L707-Y711 HydrophobicContact CD1-CD2 3.99Å; L707-Y711 HydrophobicContact CD1-CE2 3.65Å; L707-Y711 WeakPolarHBondContact O-CD2 3.38Å; L707-Y711 PolarHBondContact O-N 3.01Å; R708-Y711 CarbonylContact O-C 3.58Å; R708-Y711 PolarHBondContact O-N 2.82Å; Y709-Y711 VanDerWaalsContact C-N 3.28Å; Y709-Y711 PolarHBondContact O-N 2.93Å; Y711-P713 VanDerWaalsContact C-CD 3.42Å; Y711-P713 VanDerWaalsContact C-N 3.3Å; Y711-Y714 WeakPolarHBondContact O-CA 3.29Å; Y711-Y714 WeakPolarHBondContact O-CB 3.35Å; Y711-Y714 PolarHBondContact O-N 3.12Å; Y711-L715 PolarHBondContact O-N 3.24Å; Y711-M756 HydrophobicContact CD1-CE 3.58Å; Y711-M756 HydrophobicContact CD2-CE 3.77Å; Y711-M756 HydrophobicContact CE1-CE 3.76Å; Y711-M756 HydrophobicContact CE2-CE 3.94Å; Y711-M756 HydrophobicContact CG-CE 3.58Å; Y711-L816 HydrophobicContact CD1-CD2 4.22Å; Y711-L816 HydrophobicContact CE1-CB 4.33Å; Y711-L816 HydrophobicContact CE1-CD2 4.04Å; Y711-R818 HydrophobicContact CD1-CB 4.15Å; Y711-R818 HydrophobicContact CE1-CB 4.32Å; Y711-L836 HydrophobicContact CE1-CD2 4.37Å; Y711-L836 WeakPolarHBondContact OH-CD2 3.37Å
712	L	98.7	Very high	98.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55	-37.1	174.5	-78	176	0	0	0	114.2	Y330 L333 R708 Y709 Y714 L715 Y716 T825	Y330-L712 HydrophobicContact CE1-CB 4.44Å; Y330-L712 HydrophobicContact CE1-CD1 4.43Å; Y330-L712 VanDerWaalsContact OH-CB 3.32Å; Y330-L712 WeakPolarHBondContact OH-CB 3.39Å; L333-L712 HydrophobicContact CB-CD2 3.62Å; L333-L712 WeakPolarHBondContact O-CD2 3.42Å; R708-L712 HydrophobicContact CG-CD2 4.45Å; R708-L712 PolarHBondContact O-N 3.07Å; R708-L712 VanDerWaalsContact O-N 3.09Å; Y709-L712 HydrophobicContact CD1-CD1 3.89Å; Y709-L712 HydrophobicContact CD2-CD1 4.34Å; Y709-L712 HydrophobicContact CE1-CD1 4.33Å; Y709-L712 HydrophobicContact CG-CD1 3.92Å; Y709-L712 PolarHBondContact O-N 2.89Å; L712-Y714 VanDerWaalsContact C-N 3.27Å; L712-Y714 PolarHBondContact O-N 3.36Å; L712-L715 HydrophobicContact CD2-CD2 4.23Å; L712-L715 PolarHBondContact O-N 2.96Å; L712-Y716 VanDerWaalsContact O-CB 3.27Å; L712-Y716 WeakPolarHBondContact O-CB 3.43Å; L712-Y716 PolarHBondContact O-N 3.47Å; L712-T825 HydrophobicContact CD1-CG2 3.83Å
713	P	98.5	Very high	98.2	Very high	2 Å²	2	16 Å²	16	1%	0.013	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-36	174.4	-25.4	35.7	0	0	0	113.3	Y711 T717 P817 Q819 F833 L851	Y711-P713 VanDerWaalsContact C-CD 3.42Å; Y711-P713 VanDerWaalsContact C-N 3.3Å; P713-T717 WeakPolarHBondContact O-CB 3.09Å; P713-T717 PolarHBondContact O-N 3.4Å; P713-T717 VanDerWaalsContact O-N 3.11Å; P713-T717 PolarHBondContact O-OG1 3.1Å; P713-P817 HydrophobicContact CB-CB 4.13Å; P713-P817 HydrophobicContact CB-CG 4.23Å; P713-Q819 HydrophobicContact CG-CB 4.17Å; P713-Q819 HydrophobicContact CG-CG 3.94Å; P713-F833 HydrophobicContact CB-CE1 3.99Å; P713-F833 HydrophobicContact CG-CE1 4.12Å; P713-L851 HydrophobicContact CB-CD1 4.18Å
714	Y	98.8	Very high	98.1	Very high	15 Å²	15	16 Å²	16	6%	0.059	8%	0.081	C	C	.	.	H	α-helix	trans	-67.4	-52.2	173.8	172.5	-114.5	0	0	0	110.7	Y711 L712 Y716 T717 L718 W752 A755 M756 L816 P817	Y711-Y714 WeakPolarHBondContact O-CA 3.29Å; Y711-Y714 WeakPolarHBondContact O-CB 3.35Å; Y711-Y714 PolarHBondContact O-N 3.12Å; L712-Y714 VanDerWaalsContact C-N 3.27Å; L712-Y714 PolarHBondContact O-N 3.36Å; Y714-Y716 VanDerWaalsContact C-N 3.3Å; Y714-Y716 PolarHBondContact O-N 3.37Å; Y714-T717 WeakPolarHBondContact O-CB 3.36Å; Y714-T717 PolarHBondContact O-N 2.9Å; Y714-L718 HydrophobicContact CD1-CD1 4.29Å; Y714-L718 HydrophobicContact CE1-CD1 3.72Å; Y714-L718 HydrophobicContact CE1-CG 4.32Å; Y714-L718 HydrophobicContact CE2-CD1 4.42Å; Y714-L718 HydrophobicContact CE2-CD2 3.9Å; Y714-L718 HydrophobicContact CE2-CG 4.18Å; Y714-L718 WeakPolarHBondContact O-CG 3.23Å; Y714-L718 PolarHBondContact O-N 3.29Å; Y714-W752 HydrophobicContact CD1-CE3 4.45Å; Y714-W752 HydrophobicContact CE1-CB 3.99Å; Y714-W752 PolarHBondContact OH-O 3.15Å; Y714-A755 HydrophobicContact CE2-CB 4.46Å; Y714-A755 WeakPolarHBondContact OH-CB 3.36Å; Y714-A755 PolarHBondContact OH-N 2.88Å; Y714-M756 HydrophobicContact CE1-CB 4.06Å; Y714-L816 HydrophobicContact CD1-CD2 4.17Å; Y714-L816 HydrophobicContact CD2-CB 4.48Å; Y714-L816 HydrophobicContact CD2-CD2 4.41Å; Y714-L816 HydrophobicContact CD2-CG 3.92Å; Y714-L816 HydrophobicContact CE1-CD2 4.28Å; Y714-L816 HydrophobicContact CE2-CG 4.1Å; Y714-L816 HydrophobicContact CG-CD2 4.23Å; Y714-L816 HydrophobicContact CG-CG 4.16Å; Y714-P817 PolarHBondContact N-O 2.79Å
715	L	98.8	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.5	-43.2	178.8	-179	61.7	0	0	0	112	L333 Y711 L712 T717 L718 F719 V729 W752	L333-L715 HydrophobicContact CD1-CG 4.49Å; L333-L715 HydrophobicContact CD2-CD2 3.96Å; L333-L715 HydrophobicContact CD2-CG 4.3Å; Y711-L715 PolarHBondContact O-N 3.24Å; L712-L715 HydrophobicContact CD2-CD2 4.23Å; L712-L715 PolarHBondContact O-N 2.96Å; L715-T717 VanDerWaalsContact C-N 3.3Å; L715-T717 PolarHBondContact O-N 3.36Å; L715-L718 HydrophobicContact CD1-CD1 4.43Å; L715-L718 WeakPolarHBondContact O-CB 3.49Å; L715-L718 PolarHBondContact O-N 3.42Å; L715-L718 VanDerWaalsContact O-N 3.15Å; L715-F719 HydrophobicContact CD1-CD2 4.26Å; L715-F719 HydrophobicContact CD1-CE2 4.02Å; L715-F719 HydrophobicContact CG-CD2 4.21Å; L715-F719 HydrophobicContact CG-CE2 4.14Å; L715-F719 WeakPolarHBondContact O-CD2 3.35Å; L715-F719 PolarHBondContact O-N 3.42Å; L715-F719 VanDerWaalsContact O-N 3.08Å; L715-V729 HydrophobicContact CD1-CG1 3.67Å; L715-W752 HydrophobicContact CB-CE3 4.32Å; L715-W752 HydrophobicContact CB-CH2 4.39Å; L715-W752 HydrophobicContact CB-CZ3 4.05Å; L715-W752 HydrophobicContact CD1-CD2 4.1Å; L715-W752 HydrophobicContact CD1-CE3 4.31Å; L715-W752 HydrophobicContact CD1-CH2 4.47Å; L715-W752 HydrophobicContact CD1-CZ2 4.24Å; L715-W752 HydrophobicContact CD2-CH2 3.72Å; L715-W752 HydrophobicContact CD2-CZ2 3.86Å; L715-W752 HydrophobicContact CD2-CZ3 4.23Å; L715-W752 HydrophobicContact CG-CH2 4.42Å; L715-W752 HydrophobicContact CG-CZ3 4.49Å
716	Y	98.6	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-36.8	177.3	-171.2	-120.7	0	0	0	112.5	I327 Y330 L333 R595 L712 Y714 L718 F719 Y720 Y852 D854	I327-Y716 HydrophobicContact CD1-CE1 4.49Å; I327-Y716 HydrophobicContact CD1-CE2 3.88Å; I327-Y716 HydrophobicContact CG1-CE2 3.95Å; Y330-Y716 AromaticContact CD2-CD1 3.56Å; Y330-Y716 HydrophobicContact CD2-CD1 3.56Å; Y330-Y716 AromaticContact CD2-CD2 3.66Å; Y330-Y716 HydrophobicContact CD2-CD2 3.66Å; Y330-Y716 AromaticContact CD2-CE1 3.87Å; Y330-Y716 HydrophobicContact CD2-CE1 3.87Å; Y330-Y716 AromaticContact CD2-CE2 3.98Å; Y330-Y716 HydrophobicContact CD2-CE2 3.98Å; Y330-Y716 AromaticContact CD2-CG 3.43Å; Y330-Y716 HydrophobicContact CD2-CG 3.43Å; Y330-Y716 VanDerWaalsContact CD2-CG 3.43Å; Y330-Y716 AromaticContact CE2-CD1 3.84Å; Y330-Y716 HydrophobicContact CE2-CD1 3.84Å; Y330-Y716 HydrophobicContact CE2-CD2 4.32Å; Y330-Y716 AromaticContact CE2-CG 3.7Å; Y330-Y716 HydrophobicContact CE2-CG 3.7Å; L333-Y716 HydrophobicContact CD1-CD2 3.67Å; L333-Y716 HydrophobicContact CD1-CG 4.25Å; R595-Y716 PolarHBondContact NH1-OH 3.28Å; L712-Y716 VanDerWaalsContact O-CB 3.27Å; L712-Y716 WeakPolarHBondContact O-CB 3.43Å; L712-Y716 PolarHBondContact O-N 3.47Å; Y714-Y716 VanDerWaalsContact C-N 3.3Å; Y714-Y716 PolarHBondContact O-N 3.37Å; Y716-L718 VanDerWaalsContact C-N 3.33Å; Y716-F719 PolarHBondContact O-N 3.21Å; Y716-Y720 PolarHBondContact O-N 3.07Å; Y716-Y852 AromaticContact CD1-CD1 3.98Å; Y716-Y852 HydrophobicContact CD1-CD1 3.98Å; Y716-Y852 AromaticContact CE1-CD1 3.58Å; Y716-Y852 HydrophobicContact CE1-CD1 3.58Å; Y716-Y852 AromaticContact CE1-CE1 3.7Å; Y716-Y852 HydrophobicContact CE1-CE1 3.7Å; Y716-D854 VanDerWaalsContact CE1-OD1 3.31Å; Y716-D854 WeakPolarHBondContact CE1-OD1 3.38Å; Y716-D854 PolarHBondContact OH-OD1 2.89Å; Y716-D854 PolarHBondContact OH-OD2 2.75Å
717	T	98.7	Very high	97.8	Very high	4 Å²	4	20 Å²	20	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-36.8	173.8	-58.3	0	0	0	0	111.6	P713 Y714 L715 F719 Y720 K721 Y852	P713-T717 WeakPolarHBondContact O-CB 3.09Å; P713-T717 PolarHBondContact O-N 3.4Å; P713-T717 VanDerWaalsContact O-N 3.11Å; P713-T717 PolarHBondContact O-OG1 3.1Å; Y714-T717 WeakPolarHBondContact O-CB 3.36Å; Y714-T717 PolarHBondContact O-N 2.9Å; L715-T717 VanDerWaalsContact C-N 3.3Å; L715-T717 PolarHBondContact O-N 3.36Å; T717-F719 VanDerWaalsContact C-N 3.34Å; T717-Y720 PolarHBondContact O-N 3.27Å; T717-K721 PolarHBondContact O-N 3.1Å; T717-Y852 PolarHBondContact OG1-N 3.37Å
718	L	98.8	Very high	97.8	Very high	12 Å²	12	19.3 Å²	19.3	6%	0.063	9%	0.092	C	C	.	.	H	α-helix	trans	-61.1	-43.8	172.6	-61.8	178.5	0	0	0	111.4	Y714 L715 Y716 Y720 K721 A722 V729 W752	Y714-L718 HydrophobicContact CD1-CD1 4.29Å; Y714-L718 HydrophobicContact CE1-CD1 3.72Å; Y714-L718 HydrophobicContact CE1-CG 4.32Å; Y714-L718 HydrophobicContact CE2-CD1 4.42Å; Y714-L718 HydrophobicContact CE2-CD2 3.9Å; Y714-L718 HydrophobicContact CE2-CG 4.18Å; Y714-L718 WeakPolarHBondContact O-CG 3.23Å; Y714-L718 PolarHBondContact O-N 3.29Å; L715-L718 HydrophobicContact CD1-CD1 4.43Å; L715-L718 WeakPolarHBondContact O-CB 3.49Å; L715-L718 PolarHBondContact O-N 3.42Å; L715-L718 VanDerWaalsContact O-N 3.15Å; Y716-L718 VanDerWaalsContact C-N 3.33Å; L718-Y720 VanDerWaalsContact C-N 3.33Å; L718-Y720 PolarHBondContact O-N 2.9Å; L718-K721 PolarHBondContact O-N 2.79Å; L718-A722 WeakPolarHBondContact O-CB 3.5Å; L718-A722 PolarHBondContact O-N 3.12Å; L718-V729 HydrophobicContact CB-CG1 4.13Å; L718-V729 HydrophobicContact CB-CG2 4.35Å; L718-V729 HydrophobicContact CD1-CG1 4.4Å; L718-W752 HydrophobicContact CD1-CB 4.07Å
719	F	98.5	Very high	97.8	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-37.4	175.5	-89.3	-76.2	0	0	0	113.4	I327 P328 L333 P641 F642 P670 L715 Y716 T717 A722 H723 V729	I327-F719 HydrophobicContact CG1-CB 4.5Å; P328-F719 VanDerWaalsContact CD-CD1 3.4Å; P328-F719 HydrophobicContact CG-CB 4.17Å; P328-F719 HydrophobicContact CG-CD1 3.74Å; P328-F719 HydrophobicContact CG-CD2 4.07Å; P328-F719 HydrophobicContact CG-CE1 4.08Å; P328-F719 HydrophobicContact CG-CE2 4.39Å; P328-F719 HydrophobicContact CG-CG 3.72Å; P328-F719 HydrophobicContact CG-CZ 4.39Å; L333-F719 HydrophobicContact CD1-CD2 4.43Å; L333-F719 HydrophobicContact CD2-CD2 3.8Å; L333-F719 HydrophobicContact CD2-CE2 3.45Å; L333-F719 VanDerWaalsContact CD2-CE2 3.45Å; L333-F719 HydrophobicContact CD2-CZ 4.23Å; P641-F719 HydrophobicContact CB-CE1 4.06Å; P641-F719 HydrophobicContact CG-CD1 4.32Å; P641-F719 HydrophobicContact CG-CE1 3.86Å; F642-F719 HydrophobicContact CB-CE1 3.85Å; F642-F719 HydrophobicContact CB-CZ 3.97Å; F642-F719 HydrophobicContact CD2-CE1 4.07Å; F642-F719 HydrophobicContact CD2-CE2 4.36Å; F642-F719 AromaticContact CD2-CZ 3.67Å; F642-F719 HydrophobicContact CD2-CZ 3.67Å; F642-F719 HydrophobicContact CG-CE1 4.48Å; F642-F719 HydrophobicContact CG-CZ 4.27Å; P670-F719 HydrophobicContact CB-CE2 4.14Å; P670-F719 HydrophobicContact CB-CZ 3.81Å; L715-F719 HydrophobicContact CD1-CD2 4.26Å; L715-F719 HydrophobicContact CD1-CE2 4.02Å; L715-F719 HydrophobicContact CG-CD2 4.21Å; L715-F719 HydrophobicContact CG-CE2 4.14Å; L715-F719 WeakPolarHBondContact O-CD2 3.35Å; L715-F719 PolarHBondContact O-N 3.42Å; L715-F719 VanDerWaalsContact O-N 3.08Å; Y716-F719 PolarHBondContact O-N 3.21Å; T717-F719 VanDerWaalsContact C-N 3.34Å; F719-A722 WeakPolarHBondContact O-CB 3.47Å; F719-A722 PolarHBondContact O-N 3.29Å; F719-H723 WeakPolarHBondContact O-CB 3.3Å; F719-H723 PolarHBondContact O-N 2.95Å; F719-V729 HydrophobicContact CD1-CG2 4.01Å; F719-V729 HydrophobicContact CD2-CG1 4.17Å; F719-V729 HydrophobicContact CD2-CG2 4.36Å; F719-V729 HydrophobicContact CE1-CG2 4.17Å; F719-V729 HydrophobicContact CE2-CG1 3.88Å; F719-V729 HydrophobicContact CE2-CG2 4.49Å; F719-V729 HydrophobicContact CG-CG2 4.13Å; F719-V729 HydrophobicContact CZ-CG1 4.21Å; F719-V729 HydrophobicContact CZ-CG2 4.4Å
720	Y	97.5	Very high	97.8	Very high	47 Å²	47	19.2 Å²	19.2	18%	0.184	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-44.5	172.7	171.6	-101.5	0	0	0	111.8	I327 Y716 T717 L718 A722 H723 V724 Y852 F867	I327-Y720 HydrophobicContact CD1-CD2 4.39Å; Y716-Y720 PolarHBondContact O-N 3.07Å; T717-Y720 PolarHBondContact O-N 3.27Å; L718-Y720 VanDerWaalsContact C-N 3.33Å; L718-Y720 PolarHBondContact O-N 2.9Å; Y720-A722 VanDerWaalsContact C-N 3.34Å; Y720-A722 PolarHBondContact O-N 3.26Å; Y720-H723 WeakPolarHBondContact O-CB 3.46Å; Y720-H723 PolarHBondContact O-N 2.64Å; Y720-V724 HydrophobicContact CD2-CG2 3.96Å; Y720-V724 HydrophobicContact CE1-CG2 4.25Å; Y720-V724 HydrophobicContact CE2-CG2 3.48Å; Y720-V724 VanDerWaalsContact CE2-CG2 3.48Å; Y720-V724 WeakPolarHBondContact O-CG2 3.32Å; Y720-V724 PolarHBondContact O-N 2.94Å; Y720-Y852 AromaticContact CD1-CD2 3.74Å; Y720-Y852 HydrophobicContact CD1-CD2 3.74Å; Y720-Y852 HydrophobicContact CD1-CE2 4.5Å; Y720-Y852 AromaticContact CD1-CG 3.75Å; Y720-Y852 HydrophobicContact CD1-CG 3.75Å; Y720-Y852 AromaticContact CD2-CD1 3.77Å; Y720-Y852 HydrophobicContact CD2-CD1 3.77Å; Y720-Y852 AromaticContact CD2-CD2 3.32Å; Y720-Y852 HydrophobicContact CD2-CD2 3.32Å; Y720-Y852 AromaticContact CD2-CE1 3.75Å; Y720-Y852 HydrophobicContact CD2-CE1 3.75Å; Y720-Y852 AromaticContact CD2-CE2 3.28Å; Y720-Y852 HydrophobicContact CD2-CE2 3.28Å; Y720-Y852 AromaticContact CD2-CG 3.55Å; Y720-Y852 HydrophobicContact CD2-CG 3.55Å; Y720-Y852 AromaticContact CD2-CZ 3.5Å; Y720-Y852 VanDerWaalsContact CD2-CZ 3.5Å; Y720-Y852 AromaticContact CE1-CD2 3.84Å; Y720-Y852 HydrophobicContact CE1-CD2 3.84Å; Y720-Y852 HydrophobicContact CE1-CE2 4.45Å; Y720-Y852 HydrophobicContact CE1-CG 4.33Å; Y720-Y852 AromaticContact CE2-CD2 3.41Å; Y720-Y852 HydrophobicContact CE2-CD2 3.41Å; Y720-Y852 VanDerWaalsContact CE2-CD2 3.41Å; Y720-Y852 HydrophobicContact CE2-CE1 4.48Å; Y720-Y852 AromaticContact CE2-CE2 3.2Å; Y720-Y852 HydrophobicContact CE2-CE2 3.2Å; Y720-Y852 HydrophobicContact CE2-CG 4.14Å; Y720-Y852 AromaticContact CE2-CZ 3.79Å; Y720-Y852 AromaticContact CG-CD1 3.7Å; Y720-Y852 HydrophobicContact CG-CD1 3.7Å; Y720-Y852 AromaticContact CG-CD2 3.47Å; Y720-Y852 HydrophobicContact CG-CD2 3.47Å; Y720-Y852 VanDerWaalsContact CG-CD2 3.47Å; Y720-Y852 HydrophobicContact CG-CE1 4.17Å; Y720-Y852 AromaticContact CG-CE2 3.95Å; Y720-Y852 HydrophobicContact CG-CE2 3.95Å; Y720-Y852 AromaticContact CG-CG 3.31Å; Y720-Y852 HydrophobicContact CG-CG 3.31Å; Y720-Y852 AromaticContact CZ-CD2 3.67Å; Y720-Y852 AromaticContact CZ-CE2 3.84Å; Y720-F867 AromaticContact CD1-CD2 3.98Å; Y720-F867 HydrophobicContact CD1-CD2 3.98Å; Y720-F867 AromaticContact CD1-CE2 3.91Å; Y720-F867 HydrophobicContact CD1-CE2 3.91Å; Y720-F867 AromaticContact CE1-CD2 3.47Å; Y720-F867 HydrophobicContact CE1-CD2 3.47Å; Y720-F867 VanDerWaalsContact CE1-CD2 3.47Å; Y720-F867 AromaticContact CE1-CE2 3.59Å; Y720-F867 HydrophobicContact CE1-CE2 3.59Å; Y720-F867 HydrophobicContact CE1-CG 4.36Å
721	K	97.7	Very high	97.8	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.087	9%	0.085	C	C	.	.	H	α-helix	trans	-69.3	-31.5	177.4	-68.1	-174.9	55.1	58	0	112.5	T717 L718 H723 D725 G726 E727 Y850	T717-K721 PolarHBondContact O-N 3.1Å; L718-K721 PolarHBondContact O-N 2.79Å; K721-H723 VanDerWaalsContact C-N 3.34Å; K721-D725 IonicContact NZ-OD2 3.02Å; K721-D725 PolarHBondContact NZ-OD2 3.41Å; K721-D725 CarbonylContact O-C 3.53Å; K721-D725 WeakPolarHBondContact O-CA 3.5Å; K721-D725 WeakPolarHBondContact O-CB 3.28Å; K721-D725 PolarHBondContact O-N 3.22Å; K721-G726 PolarHBondContact O-N 2.82Å; K721-G726 VanDerWaalsContact O-N 3.15Å; K721-E727 HydrophobicContact CB-CB 4.34Å; K721-E727 WeakPolarHBondContact CE-OE1 3.31Å; K721-E727 WeakPolarHBondContact CE-OE2 3.26Å; K721-E727 IonicContact NZ-OE1 3.75Å; K721-E727 PolarHBondContact NZ-OE1 3.19Å; K721-E727 IonicContact NZ-OE2 2.7Å; K721-E727 PolarHBondContact O-N 2.82Å; K721-Y850 HydrophobicContact CD-CD2 4.31Å
722	A	98	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61	-45.8	168.5	0	0	0	0	0	111.4	W319 P325 L718 F719 Y720 G726 E727 V729	W319-A722 HydrophobicContact CH2-CB 4.49Å; W319-A722 HydrophobicContact CZ3-CB 4.04Å; P325-A722 HydrophobicContact CG-CB 3.9Å; L718-A722 WeakPolarHBondContact O-CB 3.5Å; L718-A722 PolarHBondContact O-N 3.12Å; F719-A722 WeakPolarHBondContact O-CB 3.47Å; F719-A722 PolarHBondContact O-N 3.29Å; Y720-A722 VanDerWaalsContact C-N 3.34Å; Y720-A722 PolarHBondContact O-N 3.26Å; A722-G726 WeakPolarHBondContact O-CA 3.13Å; A722-G726 PolarHBondContact O-N 2.76Å; A722-E727 WeakPolarHBondContact CA-O 3.4Å; A722-E727 WeakPolarHBondContact CB-O 3.21Å; A722-V729 HydrophobicContact CB-CG2 3.75Å
723	H	96.1	Very high	97.8	Very high	76 Å²	76	17.4 Å²	17.4	35%	0.352	9%	0.085	S	C	.	.	H	α-helix	trans	-66.4	-40.4	-179.7	179.7	61.1	0	0	0	113.4	K324 P325 I327 F719 Y720 K721	K324-H723 WeakPolarHBondContact CB-O 3.39Å; K324-H723 VanDerWaalsContact CD-O 3.24Å; K324-H723 WeakPolarHBondContact CD-O 3.18Å; P325-H723 WeakPolarHBondContact O-CA 3.42Å; P325-H723 PolarHBondContact O-ND1 2.85Å; I327-H723 HydrophobicContact CB-CB 4.25Å; F719-H723 WeakPolarHBondContact O-CB 3.3Å; F719-H723 PolarHBondContact O-N 2.95Å; Y720-H723 WeakPolarHBondContact O-CB 3.46Å; Y720-H723 PolarHBondContact O-N 2.64Å; K721-H723 VanDerWaalsContact C-N 3.34Å
724	V	94.6	Very high	97.7	Very high	55 Å²	55	17.3 Å²	17.3	33%	0.333	9%	0.085	S	C	.	.	H	α-helix	trans	-93.6	-47.7	-174.6	179.4	0	0	0	0	112.5	K324 Y720	K324-V724 PolarHBondContact NZ-O 2.9Å; Y720-V724 HydrophobicContact CD2-CG2 3.96Å; Y720-V724 HydrophobicContact CE1-CG2 4.25Å; Y720-V724 HydrophobicContact CE2-CG2 3.48Å; Y720-V724 VanDerWaalsContact CE2-CG2 3.48Å; Y720-V724 WeakPolarHBondContact O-CG2 3.32Å; Y720-V724 PolarHBondContact O-N 2.94Å
725	D	94.9	Very high	97.7	Very high	60 Å²	60	16.7 Å²	16.7	32%	0.321	8%	0.082	S	C	.	.	H	α-helix	trans	-103.9	-9.7	-168.8	-55.7	-39.3	0	0	0	113.2	R316 K721 E727	R316-D725 WeakPolarHBondContact CG-O 3.31Å; K721-D725 IonicContact NZ-OD2 3.02Å; K721-D725 PolarHBondContact NZ-OD2 3.41Å; K721-D725 CarbonylContact O-C 3.53Å; K721-D725 WeakPolarHBondContact O-CA 3.5Å; K721-D725 WeakPolarHBondContact O-CB 3.28Å; K721-D725 PolarHBondContact O-N 3.22Å; D725-E727 HydrophobicContact CB-CG 4.09Å
726	G	96	Very high	97.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	9%	0.09	C	C	.	.			trans	72.2	29.8	-175.6	0	0	0	0	0	114.1	K721 A722	K721-G726 PolarHBondContact O-N 2.82Å; K721-G726 VanDerWaalsContact O-N 3.15Å; A722-G726 WeakPolarHBondContact O-CA 3.13Å; A722-G726 PolarHBondContact O-N 2.76Å
727	E	97.4	Very high	97.6	Very high	57 Å²	57	18.5 Å²	18.5	27%	0.266	9%	0.094	S	C	.	.			trans	-84.9	140.9	177.9	-68.6	-176.4	-151.5	0	0	112.7	K721 A722 D725	K721-E727 HydrophobicContact CB-CB 4.34Å; K721-E727 WeakPolarHBondContact CE-OE1 3.31Å; K721-E727 WeakPolarHBondContact CE-OE2 3.26Å; K721-E727 IonicContact NZ-OE1 3.75Å; K721-E727 PolarHBondContact NZ-OE1 3.19Å; K721-E727 IonicContact NZ-OE2 2.7Å; K721-E727 PolarHBondContact O-N 2.82Å; A722-E727 WeakPolarHBondContact CA-O 3.4Å; A722-E727 WeakPolarHBondContact CB-O 3.21Å; D725-E727 HydrophobicContact CB-CG 4.09Å
728	M	98	Very high	97.5	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.02	10%	0.1	C	C	.	.			trans	-68.7	134.8	178.2	-68.2	178.2	84.1	0	0	112.3	I315 N636 M637 V730 Q731 F735	I315-M728 HydrophobicContact CB-CG 4.34Å; I315-M728 HydrophobicContact CB-SD 4.32Å; I315-M728 HydrophobicContact CG1-CG 4.43Å; I315-M728 HydrophobicContact CG1-SD 3.83Å; I315-M728 HydrophobicContact CG2-CG 3.78Å; I315-M728 HydrophobicContact CG2-SD 4.28Å; N636-M728 HydrophobicContact CB-CE 3.78Å; M637-M728 HydrophobicContact CG-CE 4.21Å; M728-V730 WeakPolarHBondContact CE-O 3.4Å; M728-Q731 HydrophobicContact CB-CG 3.46Å; M728-Q731 VanDerWaalsContact CB-CG 3.46Å; M728-Q731 HydrophobicContact CG-CG 4.37Å; M728-Q731 PolarHBondContact O-NE2 3.42Å; M728-Q731 HydrophobicContact SD-CG 4.08Å; M728-F735 HydrophobicContact CE-CD2 3.99Å; M728-F735 HydrophobicContact CE-CE2 4.12Å; M728-F735 HydrophobicContact SD-CD2 3.72Å; M728-F735 HydrophobicContact SD-CE2 4.25Å
729	V	98.8	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-78.7	-46.1	175.7	178.5	0	0	0	0	111	N636 P641 L715 L718 F719 A722 W752 G753	N636-V729 PolarHBondContact OD1-N 3.46Å; P641-V729 HydrophobicContact CB-CB 3.77Å; P641-V729 HydrophobicContact CB-CG2 3.58Å; P641-V729 HydrophobicContact CG-CG2 4.06Å; L715-V729 HydrophobicContact CD1-CG1 3.67Å; L718-V729 HydrophobicContact CB-CG1 4.13Å; L718-V729 HydrophobicContact CB-CG2 4.35Å; L718-V729 HydrophobicContact CD1-CG1 4.4Å; F719-V729 HydrophobicContact CD1-CG2 4.01Å; F719-V729 HydrophobicContact CD2-CG1 4.17Å; F719-V729 HydrophobicContact CD2-CG2 4.36Å; F719-V729 HydrophobicContact CE1-CG2 4.17Å; F719-V729 HydrophobicContact CE2-CG1 3.88Å; F719-V729 HydrophobicContact CE2-CG2 4.49Å; F719-V729 HydrophobicContact CG-CG2 4.13Å; F719-V729 HydrophobicContact CZ-CG1 4.21Å; F719-V729 HydrophobicContact CZ-CG2 4.4Å; A722-V729 HydrophobicContact CB-CG2 3.75Å; V729-W752 CarbonylContact O-C 3.59Å; V729-W752 WeakPolarHBondContact O-CA 3.39Å; V729-G753 PolarHBondContact O-N 2.99Å
730	V	98.8	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.6	172.2	-170.8	0	0	0	0	108.8	M632 L633 N636 P670 M728 F750 M751	M632-V730 HydrophobicContact CE-CG1 3.98Å; M632-V730 HydrophobicContact CG-CB 4.4Å; M632-V730 HydrophobicContact CG-CG1 4.23Å; M632-V730 HydrophobicContact CG-CG2 4.25Å; M632-V730 HydrophobicContact SD-CG1 4.1Å; M632-V730 HydrophobicContact SD-CG2 4.07Å; L633-V730 HydrophobicContact CD2-CG1 4.03Å; N636-V730 VanDerWaalsContact CB-O 3.3Å; N636-V730 WeakPolarHBondContact CB-O 3.47Å; N636-V730 PolarHBondContact OD1-N 3.33Å; N636-V730 PolarHBondContact OD1-O 3.07Å; P670-V730 HydrophobicContact CG-CG2 3.39Å; M728-V730 WeakPolarHBondContact CE-O 3.4Å; V730-F750 HydrophobicContact CG1-CB 4Å; V730-F750 HydrophobicContact CG1-CD2 3.74Å; V730-F750 HydrophobicContact CG1-CG 4.22Å; V730-M751 CarbonylContact C-O 3.45Å; V730-M751 WeakPolarHBondContact CA-O 3.37Å; V730-M751 WeakPolarHBondContact CG1-O 3.32Å
731	Q	98	Very high	97.4	Very high	10 Å²	10	28 Å²	28	5%	0.047	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.6	-177.2	-67.2	174.3	41.1	0	0	110.9	N312 M728 M751	N312-Q731 PolarHBondContact ND2-OE1 3.38Å; M728-Q731 HydrophobicContact CB-CG 3.46Å; M728-Q731 VanDerWaalsContact CB-CG 3.46Å; M728-Q731 HydrophobicContact CG-CG 4.37Å; M728-Q731 PolarHBondContact O-NE2 3.42Å; M728-Q731 HydrophobicContact SD-CG 4.08Å; Q731-M751 HydrophobicContact CB-CB 4.2Å; Q731-M751 PolarHBondContact N-O 3Å; Q731-M751 WeakPolarHBondContact O-CB 3.39Å; Q731-M751 PolarHBondContact O-N 3.34Å
732	P	98.3	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.			trans	-70.3	154.2	165.2	31.7	-34.3	0	0	0	109.3	F226 L633 S734 F735 A736	F226-P732 HydrophobicContact CD1-CB 4.11Å; F226-P732 HydrophobicContact CE1-CB 3.54Å; F226-P732 HydrophobicContact CE1-CG 3.66Å; F226-P732 HydrophobicContact CZ-CB 4.23Å; F226-P732 HydrophobicContact CZ-CG 4.01Å; L633-P732 HydrophobicContact CD1-CB 4.18Å; L633-P732 HydrophobicContact CD2-CB 3.98Å; P732-S734 PolarHBondContact O-N 3.08Å; P732-F735 HydrophobicContact CG-CB 3.77Å; P732-F735 HydrophobicContact CG-CD1 3.44Å; P732-F735 VanDerWaalsContact CG-CD1 3.44Å; P732-F735 HydrophobicContact CG-CD2 3.57Å; P732-F735 HydrophobicContact CG-CE1 3.77Å; P732-F735 HydrophobicContact CG-CE2 3.92Å; P732-F735 HydrophobicContact CG-CG 3.3Å; P732-F735 HydrophobicContact CG-CZ 4Å; P732-F735 PolarHBondContact O-N 2.81Å; P732-A736 PolarHBondContact O-N 2.76Å
733	L	98.5	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-33.9	178	-87.6	67.9	0	0	0	111.4	F735 A736 F737 T743 I746 Q749 M751 M757 P774	L733-F735 PolarHBondContact O-N 3.29Å; L733-A736 PolarHBondContact O-N 2.87Å; L733-F737 PolarHBondContact O-N 2.88Å; L733-T743 HydrophobicContact CB-CG2 4.1Å; L733-I746 HydrophobicContact CD2-CD1 3.95Å; L733-I746 HydrophobicContact CD2-CG2 4.31Å; L733-Q749 HydrophobicContact CD1-CB 3.69Å; L733-Q749 HydrophobicContact CD2-CB 4.32Å; L733-M751 HydrophobicContact CD1-CG 4.05Å; L733-M757 HydrophobicContact CD1-CE 4.35Å; L733-M757 HydrophobicContact CD2-CE 3.71Å; L733-M757 HydrophobicContact CD2-SD 4.43Å; L733-M757 HydrophobicContact CG-CE 4.04Å; L733-P774 HydrophobicContact CD2-CG 4.3Å
734	S	97.9	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-22.6	175.9	57.1	0	0	0	0	114.1	Y216 P732 P738 T743	Y216-S734 WeakPolarHBondContact OH-CB 3.14Å; Y216-S734 PolarHBondContact OH-OG 2.96Å; P732-S734 PolarHBondContact O-N 3.08Å; S734-P738 WeakPolarHBondContact O-CA 3.49Å; S734-P738 WeakPolarHBondContact O-CB 3.36Å; S734-T743 VanDerWaalsContact CA-OG1 3.27Å; S734-T743 WeakPolarHBondContact CA-OG1 2.96Å
735	F	98	Very high	97.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-92.1	-30.7	177.3	-67.5	15.6	0	0	0	111.2	Y216 F226 M263 P311 N312 I315 M637 M728 P732 L733	Y216-F735 AromaticContact CD2-CE1 3.67Å; Y216-F735 HydrophobicContact CD2-CE1 3.67Å; Y216-F735 HydrophobicContact CD2-CZ 4.16Å; Y216-F735 AromaticContact CE2-CE1 3.82Å; Y216-F735 HydrophobicContact CE2-CE1 3.82Å; Y216-F735 HydrophobicContact CG-CE1 4.19Å; Y216-F735 HydrophobicContact CG-CZ 4.37Å; F226-F735 HydrophobicContact CE1-CE1 4.3Å; F226-F735 HydrophobicContact CE1-CZ 4.41Å; F226-F735 HydrophobicContact CZ-CZ 4.16Å; M263-F735 HydrophobicContact CE-CE2 4.24Å; M263-F735 HydrophobicContact CE-CZ 4.35Å; M263-F735 HydrophobicContact SD-CE1 4.35Å; M263-F735 HydrophobicContact SD-CE2 4.29Å; M263-F735 HydrophobicContact SD-CZ 3.95Å; P311-F735 HydrophobicContact CB-CB 3.88Å; P311-F735 HydrophobicContact CB-CD1 3.66Å; P311-F735 HydrophobicContact CB-CD2 3.83Å; P311-F735 HydrophobicContact CB-CE1 4.19Å; P311-F735 HydrophobicContact CB-CE2 4.32Å; P311-F735 HydrophobicContact CB-CG 3.49Å; P311-F735 VanDerWaalsContact CB-CG 3.49Å; P311-F735 HydrophobicContact CG-CD1 4.09Å; P311-F735 HydrophobicContact CG-CG 4.28Å; N312-F735 PolarHBondContact ND2-O 2.89Å; I315-F735 HydrophobicContact CG1-CE2 4.44Å; M637-F735 HydrophobicContact CE-CZ 4.14Å; M637-F735 HydrophobicContact CG-CE2 3.95Å; M637-F735 HydrophobicContact CG-CZ 4.34Å; M637-F735 HydrophobicContact SD-CE2 4.15Å; M637-F735 HydrophobicContact SD-CZ 3.92Å; M728-F735 HydrophobicContact CE-CD2 3.99Å; M728-F735 HydrophobicContact CE-CE2 4.12Å; M728-F735 HydrophobicContact SD-CD2 3.72Å; M728-F735 HydrophobicContact SD-CE2 4.25Å; P732-F735 HydrophobicContact CG-CB 3.77Å; P732-F735 HydrophobicContact CG-CD1 3.44Å; P732-F735 VanDerWaalsContact CG-CD1 3.44Å; P732-F735 HydrophobicContact CG-CD2 3.57Å; P732-F735 HydrophobicContact CG-CE1 3.77Å; P732-F735 HydrophobicContact CG-CE2 3.92Å; P732-F735 HydrophobicContact CG-CG 3.3Å; P732-F735 HydrophobicContact CG-CZ 4Å; P732-F735 PolarHBondContact O-N 2.81Å; L733-F735 PolarHBondContact O-N 3.29Å
736	A	97.4	Very high	97.8	Very high	19 Å²	19	27.7 Å²	27.7	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-75.7	-26.1	174.1	0	0	0	0	0	112.9	P732 L733 M751	P732-A736 PolarHBondContact O-N 2.76Å; L733-A736 PolarHBondContact O-N 2.87Å; A736-M751 HydrophobicContact CB-CG 4.5Å
737	F	97.9	Very high	97.8	Very high	20 Å²	20	28.7 Å²	28.7	9%	0.088	16%	0.157	C	C	.	.	S	Bend	trans	-137.7	62.1	-178.3	-60.5	-89.9	0	0	0	111.3	L733 T739 D740 T743 P774 A776 W778 R811	L733-F737 PolarHBondContact O-N 2.88Å; F737-T739 PolarHBondContact O-N 3.38Å; F737-T739 VanDerWaalsContact O-N 3.08Å; F737-D740 HydrophobicContact CB-CB 4.22Å; F737-D740 PolarHBondContact O-N 3.35Å; F737-T743 HydrophobicContact CB-CG2 4.25Å; F737-T743 PolarHBondContact O-OG1 2.86Å; F737-P774 HydrophobicContact CB-CB 4.29Å; F737-P774 HydrophobicContact CB-CG 4.41Å; F737-P774 HydrophobicContact CD1-CB 3.52Å; F737-P774 HydrophobicContact CD1-CG 4.2Å; F737-P774 HydrophobicContact CD2-CB 3.88Å; F737-P774 HydrophobicContact CD2-CG 3.6Å; F737-P774 HydrophobicContact CE1-CB 3.67Å; F737-P774 HydrophobicContact CE1-CG 4.37Å; F737-P774 HydrophobicContact CE2-CB 4.04Å; F737-P774 HydrophobicContact CE2-CG 3.82Å; F737-P774 HydrophobicContact CG-CB 3.62Å; F737-P774 HydrophobicContact CG-CG 3.81Å; F737-P774 HydrophobicContact CZ-CB 3.93Å; F737-P774 HydrophobicContact CZ-CG 4.19Å; F737-A776 HydrophobicContact CE1-CB 4.29Å; F737-A776 HydrophobicContact CZ-CB 4.45Å; F737-W778 HydrophobicContact CE2-CH2 4.1Å; F737-W778 AromaticContact CE2-CZ2 3.79Å; F737-W778 HydrophobicContact CE2-CZ2 3.79Å; F737-W778 HydrophobicContact CZ-CH2 4.08Å; F737-W778 AromaticContact CZ-CZ2 3.52Å; F737-W778 HydrophobicContact CZ-CZ2 3.52Å; F737-R811 VanDerWaalsContact CE1-CZ 3.44Å; F737-R811 VanDerWaalsContact CE1-NH2 3.34Å; F737-R811 VanDerWaalsContact CZ-NH1 3.32Å
738	P	97.7	Very high	97.8	Very high	24 Å²	24	31 Å²	31	16%	0.156	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.9	-169.6	28.8	-36.9	0	0	0	114.8	L265 G269 P311 S734 Y744	L265-P738 HydrophobicContact CD1-CB 3.91Å; G269-P738 WeakPolarHBondContact CA-O 3.44Å; P311-P738 HydrophobicContact CG-CB 4.04Å; S734-P738 WeakPolarHBondContact O-CA 3.49Å; S734-P738 WeakPolarHBondContact O-CB 3.36Å; P738-Y744 WeakPolarHBondContact O-CE1 3.27Å; P738-Y744 PolarHBondContact O-OH 3.05Å
739	T	97.7	Very high	97.9	Very high	108 Å²	108	31.3 Å²	31.3	66%	0.663	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.6	176.5	60.3	0	0	0	0	113.3	F737	F737-T739 PolarHBondContact O-N 3.38Å; F737-T739 VanDerWaalsContact O-N 3.08Å
740	D	97.8	Very high	97.9	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	17%	0.165	C	C	.	.			trans	-104.3	96.9	178.7	-176.1	-3.7	0	0	0	109.7	F737 N742 T743 Y772	F737-D740 HydrophobicContact CB-CB 4.22Å; F737-D740 PolarHBondContact O-N 3.35Å; D740-N742 PolarHBondContact O-N 3.44Å; D740-N742 VanDerWaalsContact O-N 3.08Å; D740-N742 WeakPolarHBondContact OD1-CB 3.4Å; D740-N742 PolarHBondContact OD1-N 3.18Å; D740-N742 PolarHBondContact OD1-ND2 2.98Å; D740-T743 HydrophobicContact CB-CG2 4Å; D740-T743 WeakPolarHBondContact O-CB 3.45Å; D740-T743 PolarHBondContact O-N 2.89Å; D740-T743 PolarHBondContact O-OG1 3.4Å; D740-Y772 PolarHBondContact OD1-OH 3.47Å; D740-Y772 WeakPolarHBondContact OD2-CE1 3.18Å; D740-Y772 PolarHBondContact OD2-OH 3.11Å
741	N	96.7	Very high	97.9	Very high	106 Å²	106	31.3 Å²	31.3	57%	0.567	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-61.1	-19.1	-176.3	65.3	1.1	0	0	0	114.5	T743 Y744	N741-T743 PolarHBondContact O-N 3.46Å; N741-Y744 HydrophobicContact CB-CD2 4.21Å; N741-Y744 HydrophobicContact CB-CE2 4.03Å; N741-Y744 PolarHBondContact O-N 2.82Å
742	N	97.3	Very high	97.9	Very high	72 Å²	72	30.8 Å²	30.8	39%	0.385	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-67.2	-15.5	174.4	-58.7	-74.5	0	0	0	112.3	D740 I746 Y772	D740-N742 PolarHBondContact O-N 3.44Å; D740-N742 VanDerWaalsContact O-N 3.08Å; D740-N742 WeakPolarHBondContact OD1-CB 3.4Å; D740-N742 PolarHBondContact OD1-N 3.18Å; D740-N742 PolarHBondContact OD1-ND2 2.98Å; N742-I746 WeakPolarHBondContact O-CD1 3.34Å; N742-I746 WeakPolarHBondContact O-CG1 3.25Å; N742-Y772 HydrophobicContact CB-CD2 4.42Å; N742-Y772 HydrophobicContact CB-CE1 3.89Å; N742-Y772 HydrophobicContact CB-CE2 3.69Å; N742-Y772 WeakPolarHBondContact CB-OH 3.11Å; N742-Y772 PolarHBondContact ND2-OH 3.18Å; N742-Y772 VanDerWaalsContact ND2-OH 3.09Å
743	T	98.1	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-88.3	-13.9	-179.6	68	0	0	0	0	113.8	L733 S734 F737 D740 N741 D745 I746 Y772 P774	L733-T743 HydrophobicContact CB-CG2 4.1Å; S734-T743 VanDerWaalsContact CA-OG1 3.27Å; S734-T743 WeakPolarHBondContact CA-OG1 2.96Å; F737-T743 HydrophobicContact CB-CG2 4.25Å; F737-T743 PolarHBondContact O-OG1 2.86Å; D740-T743 HydrophobicContact CB-CG2 4Å; D740-T743 WeakPolarHBondContact O-CB 3.45Å; D740-T743 PolarHBondContact O-N 2.89Å; D740-T743 PolarHBondContact O-OG1 3.4Å; N741-T743 PolarHBondContact O-N 3.46Å; T743-D745 VanDerWaalsContact C-N 3.31Å; T743-D745 PolarHBondContact O-N 2.87Å; T743-I746 PolarHBondContact O-N 2.88Å; T743-Y772 HydrophobicContact CG2-CD1 4.19Å; T743-Y772 HydrophobicContact CG2-CE1 3.92Å; T743-P774 HydrophobicContact CG2-CG 4.06Å
744	Y	97.9	Very high	97.9	Very high	14 Å²	14	32.3 Å²	32.3	6%	0.055	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.2	-168.7	-68.7	1.8	0	0	0	113.2	V214 Y216 L265 E266 P738 N741	V214-Y744 HydrophobicContact CB-CD2 4.46Å; V214-Y744 HydrophobicContact CG1-CD2 4.16Å; V214-Y744 HydrophobicContact CG1-CG 4.28Å; V214-Y744 HydrophobicContact CG2-CD2 3.5Å; V214-Y744 VanDerWaalsContact CG2-CD2 3.5Å; V214-Y744 HydrophobicContact CG2-CE2 3.78Å; V214-Y744 HydrophobicContact CG2-CG 4.39Å; Y216-Y744 WeakPolarHBondContact OH-CA 3.38Å; Y216-Y744 PolarHBondContact OH-O 3.35Å; L265-Y744 HydrophobicContact CD2-CD1 3.89Å; L265-Y744 HydrophobicContact CD2-CE1 3.54Å; L265-Y744 HydrophobicContact CG-CE1 4.24Å; E266-Y744 PolarHBondContact O-OH 2.65Å; P738-Y744 WeakPolarHBondContact O-CE1 3.27Å; P738-Y744 PolarHBondContact O-OH 3.05Å; N741-Y744 HydrophobicContact CB-CD2 4.21Å; N741-Y744 HydrophobicContact CB-CE2 4.03Å; N741-Y744 PolarHBondContact O-N 2.82Å
745	D	97.5	Very high	97.9	Very high	101 Å²	101	32.3 Å²	32.3	54%	0.54	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	12.9	-179	-52.7	-38.8	0	0	0	112.3	R227 T743 D747	R227-D745 WeakPolarHBondContact CD-OD1 3.47Å; R227-D745 IonicContact CZ-OD1 3.64Å; R227-D745 IonicContact NE-OD1 2.75Å; R227-D745 IonicContact NH1-OD1 3.56Å; R227-D745 PolarHBondContact NH1-OD1 3.44Å; R227-D745 IonicContact NH1-OD2 3.3Å; T743-D745 VanDerWaalsContact C-N 3.31Å; T743-D745 PolarHBondContact O-N 2.87Å; D745-D747 PolarHBondContact O-N 2.88Å
746	I	98.1	Very high	97.9	Very high	16 Å²	16	32.2 Å²	32.2	8%	0.082	17%	0.172	C	C	.	.			trans	-85.9	108	179.4	-60.4	-177.2	0	0	0	110.5	L733 N742 T743 Q749 Y772	L733-I746 HydrophobicContact CD2-CD1 3.95Å; L733-I746 HydrophobicContact CD2-CG2 4.31Å; N742-I746 WeakPolarHBondContact O-CD1 3.34Å; N742-I746 WeakPolarHBondContact O-CG1 3.25Å; T743-I746 PolarHBondContact O-N 2.88Å; I746-Q749 HydrophobicContact CG2-CB 3.79Å; I746-Q749 HydrophobicContact CG2-CG 4.31Å; I746-Y772 HydrophobicContact CD1-CD1 3.72Å; I746-Y772 HydrophobicContact CD1-CG 3.85Å
747	D	96.5	Very high	98	Very high	22 Å²	22	31.3 Å²	31.3	12%	0.118	16%	0.164	C	C	.	.			trans	-118.4	4.7	175	52	23.6	0	0	0	113.1	T225 F226 I629 I630 D745	T225-D747 VanDerWaalsContact CA-OD2 3.29Å; T225-D747 WeakPolarHBondContact CA-OD2 3.3Å; F226-D747 HydrophobicContact CB-CB 3.8Å; I629-D747 VanDerWaalsContact CG2-O 3.27Å; I629-D747 WeakPolarHBondContact CG2-O 3.38Å; I630-D747 HydrophobicContact CD1-CB 4.48Å; I630-D747 HydrophobicContact CG1-CB 4.07Å; D745-D747 PolarHBondContact O-N 2.88Å
748	R	97.9	Very high	98	Very high	107 Å²	107	30.4 Å²	30.4	40%	0.404	16%	0.16	S	C	.	.	S	Bend	trans	-106.7	1.4	179.7	-59.2	-178.9	178.4	-112	0.4	113.7	R626 P760 L762 E763	R626-R748 VanDerWaalsContact CD-NH1 3.31Å; R748-P760 WeakPolarHBondContact O-CD 3.5Å; R748-L762 HydrophobicContact CB-CD1 3.94Å; R748-L762 HydrophobicContact CG-CD1 3.96Å; R748-E763 IonicContact CZ-OE1 3.77Å; R748-E763 IonicContact NH1-OE1 3.97Å; R748-E763 PolarHBondContact NH1-OE1 3.37Å; R748-E763 IonicContact NH2-OE1 3.74Å
749	Q	98.7	Very high	98.1	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.042	15%	0.153	C	C	.	.			trans	-133.8	146	173	-67.7	171.7	-104.8	0	0	107.9	L733 I746 M757 I758 T759 Y772	L733-Q749 HydrophobicContact CD1-CB 3.69Å; L733-Q749 HydrophobicContact CD2-CB 4.32Å; I746-Q749 HydrophobicContact CG2-CB 3.79Å; I746-Q749 HydrophobicContact CG2-CG 4.31Å; Q749-M757 PolarHBondContact NE2-SD 2.82Å; Q749-I758 WeakPolarHBondContact CA-O 3.28Å; Q749-T759 HydrophobicContact CG-CG2 3.76Å; Q749-T759 PolarHBondContact NE2-OG1 3.16Å; Q749-Y772 PolarHBondContact NE2-O 3.1Å
750	F	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.2	175	60	-87.1	0	0	0	109.6	I629 M632 L633 L665 F668 V730 I758	I629-F750 HydrophobicContact CG2-CB 4.45Å; I629-F750 HydrophobicContact CG2-CD1 3.87Å; M632-F750 HydrophobicContact CE-CB 4.31Å; M632-F750 HydrophobicContact CE-CD1 3.75Å; M632-F750 HydrophobicContact CE-CD2 3.64Å; M632-F750 HydrophobicContact CE-CE1 3.86Å; M632-F750 HydrophobicContact CE-CE2 3.73Å; M632-F750 HydrophobicContact CE-CG 3.62Å; M632-F750 HydrophobicContact CE-CZ 3.84Å; M632-F750 HydrophobicContact SD-CE2 4.49Å; L633-F750 HydrophobicContact CD2-CB 4.03Å; L665-F750 HydrophobicContact CD1-CE1 3.64Å; L665-F750 HydrophobicContact CD1-CZ 4.04Å; F668-F750 HydrophobicContact CB-CE2 3.95Å; F668-F750 HydrophobicContact CB-CZ 3.75Å; V730-F750 HydrophobicContact CG1-CB 4Å; V730-F750 HydrophobicContact CG1-CD2 3.74Å; V730-F750 HydrophobicContact CG1-CG 4.22Å; F750-I758 HydrophobicContact CD1-CB 4.43Å; F750-I758 HydrophobicContact CD2-CB 4.26Å; F750-I758 HydrophobicContact CD2-CD1 3.98Å; F750-I758 HydrophobicContact CD2-CG1 4.44Å; F750-I758 HydrophobicContact CE1-CB 3.96Å; F750-I758 HydrophobicContact CE1-CG2 3.95Å; F750-I758 HydrophobicContact CE2-CB 3.8Å; F750-I758 HydrophobicContact CE2-CD1 3.7Å; F750-I758 HydrophobicContact CE2-CG1 3.81Å; F750-I758 HydrophobicContact CE2-CG2 4.31Å; F750-I758 HydrophobicContact CZ-CB 3.63Å; F750-I758 HydrophobicContact CZ-CD1 4.42Å; F750-I758 HydrophobicContact CZ-CG1 4.03Å; F750-I758 HydrophobicContact CZ-CG2 3.67Å; F750-I758 PolarHBondContact N-O 3.05Å; F750-I758 PolarHBondContact O-N 2.94Å
751	M	98.8	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.7	-179.6	-64.1	-71.5	-58.9	0	0	110.1	V730 Q731 L733 A736 G753 P754 M756 M757 W778	V730-M751 CarbonylContact C-O 3.45Å; V730-M751 WeakPolarHBondContact CA-O 3.37Å; V730-M751 WeakPolarHBondContact CG1-O 3.32Å; Q731-M751 HydrophobicContact CB-CB 4.2Å; Q731-M751 PolarHBondContact N-O 3Å; Q731-M751 WeakPolarHBondContact O-CB 3.39Å; Q731-M751 PolarHBondContact O-N 3.34Å; L733-M751 HydrophobicContact CD1-CG 4.05Å; A736-M751 HydrophobicContact CB-CG 4.5Å; M751-G753 VanDerWaalsContact CB-O 3.3Å; M751-G753 WeakPolarHBondContact CB-O 3.31Å; M751-P754 WeakPolarHBondContact CE-O 3.32Å; M751-M756 CarbonylContact C-O 3.54Å; M751-M756 WeakPolarHBondContact CA-O 2.92Å; M751-M757 HydrophobicContact CE-CB 4.42Å; M751-M757 VanDerWaalsContact SD-CA 3.52Å; M751-M757 HydrophobicContact SD-CB 3.43Å; M751-M757 WeakPolarHBondContact SD-CB 3.44Å; M751-M757 HydrophobicContact SD-CE 3.79Å; M751-M757 HydrophobicContact SD-CG 3.81Å; M751-W778 HydrophobicContact CE-CH2 3.7Å; M751-W778 HydrophobicContact CE-CZ3 3.92Å; M751-W778 HydrophobicContact SD-CH2 3.85Å; M751-W778 HydrophobicContact SD-CZ3 4.17Å
752	W	98.8	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	111	155.8	-83.4	7.7	0	0	0	109	F668 R708 Y714 L715 L718 V729 M756 I758	F668-W752 HydrophobicContact CB-CZ2 4.11Å; F668-W752 HydrophobicContact CD1-CD2 4.48Å; F668-W752 HydrophobicContact CD1-CH2 4.01Å; F668-W752 AromaticContact CD1-CZ2 3.95Å; F668-W752 HydrophobicContact CD1-CZ2 3.95Å; F668-W752 HydrophobicContact CD1-CZ3 4.31Å; F668-W752 HydrophobicContact CG-CZ2 4.44Å; F668-W752 WeakPolarHBondContact O-CZ2 3.38Å; F668-W752 PolarHBondContact O-NE1 2.97Å; R708-W752 HydrophobicContact CG-CH2 4.23Å; Y714-W752 HydrophobicContact CD1-CE3 4.45Å; Y714-W752 HydrophobicContact CE1-CB 3.99Å; Y714-W752 PolarHBondContact OH-O 3.15Å; L715-W752 HydrophobicContact CB-CE3 4.32Å; L715-W752 HydrophobicContact CB-CH2 4.39Å; L715-W752 HydrophobicContact CB-CZ3 4.05Å; L715-W752 HydrophobicContact CD1-CD2 4.1Å; L715-W752 HydrophobicContact CD1-CE3 4.31Å; L715-W752 HydrophobicContact CD1-CH2 4.47Å; L715-W752 HydrophobicContact CD1-CZ2 4.24Å; L715-W752 HydrophobicContact CD2-CH2 3.72Å; L715-W752 HydrophobicContact CD2-CZ2 3.86Å; L715-W752 HydrophobicContact CD2-CZ3 4.23Å; L715-W752 HydrophobicContact CG-CH2 4.42Å; L715-W752 HydrophobicContact CG-CZ3 4.49Å; L718-W752 HydrophobicContact CD1-CB 4.07Å; V729-W752 CarbonylContact O-C 3.59Å; V729-W752 WeakPolarHBondContact O-CA 3.39Å; W752-M756 HydrophobicContact CB-CB 4.17Å; W752-M756 HydrophobicContact CE3-SD 3.86Å; W752-M756 HydrophobicContact CZ3-SD 4.48Å; W752-M756 PolarHBondContact N-O 3.07Å; W752-M756 PolarHBondContact O-N 3.11Å; W752-I758 HydrophobicContact CB-CD1 4.34Å; W752-I758 HydrophobicContact CG-CD1 4.09Å
753	G	98.5	Very high	98.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-150.2	-173.4	0	0	0	0	0	111.3	V729 M751	V729-G753 PolarHBondContact O-N 2.99Å; M751-G753 VanDerWaalsContact CB-O 3.3Å; M751-G753 WeakPolarHBondContact CB-O 3.31Å
754	P	97.4	Very high	98.3	Very high	31 Å²	31	20.7 Å²	20.7	20%	0.201	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.8	-178.2	33.9	-37.4	0	0	0	114.3	M751 Y814	M751-P754 WeakPolarHBondContact CE-O 3.32Å; P754-Y814 HydrophobicContact CB-CE1 3.87Å; P754-Y814 WeakPolarHBondContact CB-OH 3.26Å; P754-Y814 HydrophobicContact CG-CD1 4.23Å; P754-Y814 HydrophobicContact CG-CE1 3.52Å
755	A	98.3	Very high	98.3	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-24.7	-160.6	0	0	0	0	0	116	Y714 V810 R811 Y814 L816	Y714-A755 HydrophobicContact CE2-CB 4.46Å; Y714-A755 WeakPolarHBondContact OH-CB 3.36Å; Y714-A755 PolarHBondContact OH-N 2.88Å; A755-V810 CarbonylContact O-C 3.41Å; A755-V810 VanDerWaalsContact O-CA 3.29Å; A755-V810 WeakPolarHBondContact O-CA 3.28Å; A755-R811 PolarHBondContact O-N 3.3Å; A755-Y814 HydrophobicContact CB-CD1 3.8Å; A755-Y814 HydrophobicContact CB-CD2 3.84Å; A755-Y814 HydrophobicContact CB-CE1 4.48Å; A755-Y814 HydrophobicContact CB-CG 3.44Å; A755-Y814 VanDerWaalsContact CB-CG 3.44Å; A755-L816 HydrophobicContact CB-CD1 3.91Å
756	M	98.8	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.1	-172.8	178.1	178.4	-68.8	0	0	111.1	Y711 Y714 M751 W752 I758 V808 H809 V810 L816	Y711-M756 HydrophobicContact CD1-CE 3.58Å; Y711-M756 HydrophobicContact CD2-CE 3.77Å; Y711-M756 HydrophobicContact CE1-CE 3.76Å; Y711-M756 HydrophobicContact CE2-CE 3.94Å; Y711-M756 HydrophobicContact CG-CE 3.58Å; Y714-M756 HydrophobicContact CE1-CB 4.06Å; M751-M756 CarbonylContact C-O 3.54Å; M751-M756 WeakPolarHBondContact CA-O 2.92Å; W752-M756 HydrophobicContact CB-CB 4.17Å; W752-M756 HydrophobicContact CE3-SD 3.86Å; W752-M756 HydrophobicContact CZ3-SD 4.48Å; W752-M756 PolarHBondContact N-O 3.07Å; W752-M756 PolarHBondContact O-N 3.11Å; M756-I758 HydrophobicContact CG-CD1 4.12Å; M756-V808 HydrophobicContact CE-CG1 4.41Å; M756-V808 HydrophobicContact CG-CG1 3.55Å; M756-V808 HydrophobicContact SD-CG1 3.76Å; M756-H809 CarbonylContact C-O 3.57Å; M756-H809 WeakPolarHBondContact CA-O 3.25Å; M756-V810 HydrophobicContact CE-CG2 4.2Å; M756-L816 HydrophobicContact CE-CD2 3.73Å
757	M	98.8	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.1	178.4	-172.6	-179.2	-73.6	0	0	110.9	L733 Q749 M751 F773 W778 V808 H809	L733-M757 HydrophobicContact CD1-CE 4.35Å; L733-M757 HydrophobicContact CD2-CE 3.71Å; L733-M757 HydrophobicContact CD2-SD 4.43Å; L733-M757 HydrophobicContact CG-CE 4.04Å; Q749-M757 PolarHBondContact NE2-SD 2.82Å; M751-M757 HydrophobicContact CE-CB 4.42Å; M751-M757 VanDerWaalsContact SD-CA 3.52Å; M751-M757 HydrophobicContact SD-CB 3.43Å; M751-M757 WeakPolarHBondContact SD-CB 3.44Å; M751-M757 HydrophobicContact SD-CE 3.79Å; M751-M757 HydrophobicContact SD-CG 3.81Å; M757-F773 HydrophobicContact SD-CD1 4.25Å; M757-F773 HydrophobicContact SD-CE1 4.15Å; M757-W778 HydrophobicContact CB-CE3 4.35Å; M757-W778 HydrophobicContact CB-CH2 4.38Å; M757-W778 HydrophobicContact CB-CZ3 3.8Å; M757-W778 HydrophobicContact CE-CE3 4.42Å; M757-W778 HydrophobicContact CE-CH2 3.47Å; M757-W778 VanDerWaalsContact CE-CH2 3.47Å; M757-W778 HydrophobicContact CE-CZ2 3.57Å; M757-W778 HydrophobicContact CE-CZ3 3.9Å; M757-V808 WeakPolarHBondContact O-CA 3.4Å; M757-H809 PolarHBondContact N-O 3.42Å; M757-H809 PolarHBondContact O-N 3.3Å
758	I	98.8	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.7	175.4	-56.4	78.2	0	0	0	108.3	F668 Q749 F750 W752 M756 P806 V808	F668-I758 HydrophobicContact CB-CG1 4.1Å; F668-I758 HydrophobicContact CB-CG2 4.33Å; F668-I758 HydrophobicContact CD1-CD1 4.23Å; F668-I758 HydrophobicContact CD1-CG1 3.6Å; F668-I758 HydrophobicContact CD2-CG2 4.29Å; F668-I758 HydrophobicContact CE1-CG1 4.21Å; F668-I758 HydrophobicContact CG-CG1 3.85Å; F668-I758 HydrophobicContact CG-CG2 4.16Å; Q749-I758 WeakPolarHBondContact CA-O 3.28Å; F750-I758 HydrophobicContact CD1-CB 4.43Å; F750-I758 HydrophobicContact CD2-CB 4.26Å; F750-I758 HydrophobicContact CD2-CD1 3.98Å; F750-I758 HydrophobicContact CD2-CG1 4.44Å; F750-I758 HydrophobicContact CE1-CB 3.96Å; F750-I758 HydrophobicContact CE1-CG2 3.95Å; F750-I758 HydrophobicContact CE2-CB 3.8Å; F750-I758 HydrophobicContact CE2-CD1 3.7Å; F750-I758 HydrophobicContact CE2-CG1 3.81Å; F750-I758 HydrophobicContact CE2-CG2 4.31Å; F750-I758 HydrophobicContact CZ-CB 3.63Å; F750-I758 HydrophobicContact CZ-CD1 4.42Å; F750-I758 HydrophobicContact CZ-CG1 4.03Å; F750-I758 HydrophobicContact CZ-CG2 3.67Å; F750-I758 PolarHBondContact N-O 3.05Å; F750-I758 PolarHBondContact O-N 2.94Å; W752-I758 HydrophobicContact CB-CD1 4.34Å; W752-I758 HydrophobicContact CG-CD1 4.09Å; M756-I758 HydrophobicContact CG-CD1 4.12Å; I758-P806 HydrophobicContact CG2-CB 4.45Å; I758-P806 HydrophobicContact CG2-CG 4.08Å; I758-V808 HydrophobicContact CG1-CG2 4.44Å
759	T	98.7	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.151	C	C	.	.			trans	-124	78.7	179.2	-50.1	0	0	0	0	109.7	Q749 V769 L798 P807	Q749-T759 HydrophobicContact CG-CG2 3.76Å; Q749-T759 PolarHBondContact NE2-OG1 3.16Å; T759-V769 HydrophobicContact CG2-CG1 3.83Å; T759-V769 HydrophobicContact CG2-CG2 4.23Å; T759-L798 HydrophobicContact CG2-CD1 3.95Å; T759-P807 PolarHBondContact N-O 2.94Å; T759-P807 WeakPolarHBondContact O-CD 3.42Å; T759-P807 WeakPolarHBondContact O-CG 3.46Å
760	P	98.6	Very high	98.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.019	17%	0.17	C	C	.	.			trans	-67.8	153.8	-176.5	32.2	-39.4	0	0	0	112.9	I629 L665 R748 L762 P806	I629-P760 HydrophobicContact CD1-CG 3.84Å; L665-P760 HydrophobicContact CB-CB 4.27Å; L665-P760 HydrophobicContact CD1-CB 4.04Å; L665-P760 HydrophobicContact CD1-CG 3.97Å; R748-P760 WeakPolarHBondContact O-CD 3.5Å; P760-L762 HydrophobicContact CB-CD2 3.92Å; P760-L762 HydrophobicContact CB-CG 4.29Å; P760-L762 HydrophobicContact CG-CD1 4.11Å; P760-L762 HydrophobicContact CG-CD2 3.82Å; P760-L762 HydrophobicContact CG-CG 3.96Å; P760-P806 HydrophobicContact CB-CB 4.43Å
761	A	98.6	Very high	98.3	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	17%	0.17	C	C	.	.			trans	-86.1	119.2	167.4	0	0	0	0	0	109.6	V766 A800	A761-V766 HydrophobicContact CB-CG2 4.1Å; A761-A800 HydrophobicContact CB-CB 4.02Å
762	L	98.3	Very high	98.3	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.042	17%	0.174	C	C	.	.			trans	-117.7	16.5	-169	-58.1	173.3	0	0	0	113.9	M625 R626 I629 L665 R748 P760	M625-L762 HydrophobicContact CE-CB 4.41Å; M625-L762 HydrophobicContact CE-CD2 3.94Å; R626-L762 HydrophobicContact CG-CB 3.73Å; R626-L762 HydrophobicContact CG-CD1 4.1Å; R626-L762 HydrophobicContact CG-CG 4.33Å; I629-L762 HydrophobicContact CD1-CD1 3.65Å; I629-L762 HydrophobicContact CD1-CD2 4.11Å; I629-L762 HydrophobicContact CD1-CG 4.49Å; L665-L762 HydrophobicContact CD2-CD2 3.95Å; R748-L762 HydrophobicContact CB-CD1 3.94Å; R748-L762 HydrophobicContact CG-CD1 3.96Å; P760-L762 HydrophobicContact CB-CD2 3.92Å; P760-L762 HydrophobicContact CB-CG 4.29Å; P760-L762 HydrophobicContact CG-CD1 4.11Å; P760-L762 HydrophobicContact CG-CD2 3.82Å; P760-L762 HydrophobicContact CG-CG 3.96Å
763	E	97.9	Very high	98.3	Very high	70 Å²	70	30.8 Å²	30.8	33%	0.327	17%	0.174	S	C	.	.	S	Bend	trans	-131.7	149.4	-178.7	-55.4	-59.7	152	0	0	109.9	W622 R626 R748 V766	W622-E763 WeakPolarHBondContact CH2-O 3.31Å; W622-E763 WeakPolarHBondContact CZ3-O 3.4Å; R626-E763 IonicContact CZ-OE1 3.27Å; R626-E763 VanDerWaalsContact NH1-CD 3.32Å; R626-E763 IonicContact NH1-OE1 2.86Å; R626-E763 PolarHBondContact NH1-OE1 3.49Å; R626-E763 IonicContact NH1-OE2 2.8Å; R626-E763 PolarHBondContact NH1-OE2 3.07Å; R626-E763 VanDerWaalsContact NH1-OE2 3.16Å; R748-E763 IonicContact CZ-OE1 3.77Å; R748-E763 IonicContact NH1-OE1 3.97Å; R748-E763 PolarHBondContact NH1-OE1 3.37Å; R748-E763 IonicContact NH2-OE1 3.74Å; E763-V766 HydrophobicContact CB-CG1 4.23Å; E763-V766 WeakPolarHBondContact O-CG2 3.38Å
764	P	97.9	Very high	98.2	Very high	50 Å²	50	30.8 Å²	30.8	33%	0.325	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	154.2	178.9	28.7	-34.9	0	0	0	112.6	W622 V766	W622-P764 HydrophobicContact CD2-CB 4.43Å; W622-P764 HydrophobicContact CH2-CB 4.14Å; W622-P764 VanDerWaalsContact CZ2-CA 3.46Å; W622-P764 HydrophobicContact CZ2-CB 3.53Å; W622-P764 HydrophobicContact CZ2-CG 4.44Å; P764-V766 VanDerWaalsContact C-N 3.27Å; P764-V766 PolarHBondContact O-N 3.15Å
765	N	97.7	Very high	98.1	Very high	145 Å²	145	36 Å²	36	78%	0.775	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	29.9	174.1	-57.2	-74.4	0	0	0	115.3	E657	E657-N765 VanDerWaalsContact CD-N 3.28Å; E657-N765 WeakPolarHBondContact OE1-CA 3.45Å; E657-N765 PolarHBondContact OE1-N 2.93Å; E657-N765 PolarHBondContact OE2-N 3.32Å; E657-N765 VanDerWaalsContact OE2-N 3.11Å
766	V	97.9	Very high	97.9	Very high	44 Å²	44	37 Å²	37	27%	0.267	21%	0.208	S	C	.	.			trans	-108.7	151.7	175.7	-55.2	0	0	0	0	111.2	R661 A761 E763 P764	R661-V766 PolarHBondContact NH2-O 3.38Å; A761-V766 HydrophobicContact CB-CG2 4.1Å; E763-V766 HydrophobicContact CB-CG1 4.23Å; E763-V766 WeakPolarHBondContact O-CG2 3.38Å; P764-V766 VanDerWaalsContact C-N 3.27Å; P764-V766 PolarHBondContact O-N 3.15Å
767	L	97.1	Very high	97.8	Very high	121 Å²	121	37.9 Å²	37.9	63%	0.634	21%	0.213	S	C	*	.	S	Bend	trans	-121.6	10.5	171.5	-64.1	176.1	0	0	0	112.1	A800	L767-A800 CarbonylContact C-O 3.41Å; L767-A800 CarbonylContact O-C 3.6Å; L767-A800 PolarHBondContact O-N 3.23Å
768	S	98	Very high	97.7	Very high	47 Å²	47	37.9 Å²	37.9	33%	0.329	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	153	179	63.5	0	0	0	0	110.1	L798	S768-L798 CarbonylContact C-O 3.37Å; S768-L798 WeakPolarHBondContact CA-O 3.34Å; S768-L798 WeakPolarHBondContact CB-O 3.36Å
769	V	98	Very high	97.7	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.17	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	159	174.8	64.2	0	0	0	0	109.7	T759 R797 L798 A800 P807	T759-V769 HydrophobicContact CG2-CG1 3.83Å; T759-V769 HydrophobicContact CG2-CG2 4.23Å; V769-R797 CarbonylContact O-C 3.52Å; V769-R797 WeakPolarHBondContact O-CA 3.22Å; V769-L798 HydrophobicContact CG1-CB 4.16Å; V769-L798 HydrophobicContact CG1-CD1 4.47Å; V769-L798 PolarHBondContact N-O 3.41Å; V769-L798 PolarHBondContact O-N 2.97Å; V769-A800 HydrophobicContact CG1-CB 4.36Å; V769-P807 HydrophobicContact CG1-CG 3.87Å
770	V	98.4	Very high	97.6	Very high	74 Å²	74	38.1 Å²	38.1	45%	0.448	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.9	170.1	178.8	0	0	0	0	108.2	Y795 Q796	V770-Y795 HydrophobicContact CG1-CD1 4.05Å; V770-Y795 HydrophobicContact CG1-CG 4.47Å; V770-Q796 CarbonylContact C-O 3.47Å; V770-Q796 WeakPolarHBondContact CA-O 3.28Å
771	G	98.3	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.9	173.7	0	0	0	0	0	111.2	Y795 Q796	G771-Y795 CarbonylContact O-C 3.59Å; G771-Y795 WeakPolarHBondContact O-CA 3.12Å; G771-Q796 PolarHBondContact N-O 3.06Å; G771-Q796 PolarHBondContact O-N 3.34Å
772	Y	98.7	Very high	97.4	Very high	20 Å²	20	38.7 Å²	38.7	8%	0.078	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.5	170.2	-174	-101	0	0	0	110.6	D740 N742 T743 I746 Q749 P774 Y795	D740-Y772 PolarHBondContact OD1-OH 3.47Å; D740-Y772 WeakPolarHBondContact OD2-CE1 3.18Å; D740-Y772 PolarHBondContact OD2-OH 3.11Å; N742-Y772 HydrophobicContact CB-CD2 4.42Å; N742-Y772 HydrophobicContact CB-CE1 3.89Å; N742-Y772 HydrophobicContact CB-CE2 3.69Å; N742-Y772 WeakPolarHBondContact CB-OH 3.11Å; N742-Y772 PolarHBondContact ND2-OH 3.18Å; N742-Y772 VanDerWaalsContact ND2-OH 3.09Å; T743-Y772 HydrophobicContact CG2-CD1 4.19Å; T743-Y772 HydrophobicContact CG2-CE1 3.92Å; I746-Y772 HydrophobicContact CD1-CD1 3.72Å; I746-Y772 HydrophobicContact CD1-CG 3.85Å; Q749-Y772 PolarHBondContact NE2-O 3.1Å; Y772-P774 HydrophobicContact CD1-CG 4.12Å; Y772-P774 HydrophobicContact CE1-CB 4.37Å; Y772-P774 HydrophobicContact CE1-CG 3.98Å; Y772-Y795 AromaticContact CD2-CD1 3.91Å; Y772-Y795 HydrophobicContact CD2-CD1 3.91Å; Y772-Y795 AromaticContact CD2-CD2 3.81Å; Y772-Y795 HydrophobicContact CD2-CD2 3.81Å; Y772-Y795 AromaticContact CD2-CE1 3.75Å; Y772-Y795 HydrophobicContact CD2-CE1 3.75Å; Y772-Y795 AromaticContact CD2-CE2 3.63Å; Y772-Y795 HydrophobicContact CD2-CE2 3.63Å; Y772-Y795 AromaticContact CD2-CG 3.94Å; Y772-Y795 HydrophobicContact CD2-CG 3.94Å; Y772-Y795 AromaticContact CD2-CZ 3.6Å; Y772-Y795 HydrophobicContact CE2-CD2 4.28Å; Y772-Y795 HydrophobicContact CE2-CE2 4.02Å; Y772-Y795 HydrophobicContact CG-CD1 4.42Å; Y772-Y795 HydrophobicContact CG-CE1 4.15Å
773	F	98.6	Very high	97.1	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	107.9	176.8	-69.2	-91.1	0	0	0	109.3	M757 W778 V791 P793 G794 Q796 L798 H809	M757-F773 HydrophobicContact SD-CD1 4.25Å; M757-F773 HydrophobicContact SD-CE1 4.15Å; F773-W778 HydrophobicContact CD1-CB 3.85Å; F773-W778 AromaticContact CD1-CD1 3.76Å; F773-W778 HydrophobicContact CD1-CD2 4.09Å; F773-W778 AromaticContact CD1-CG 3.63Å; F773-W778 HydrophobicContact CD1-CG 3.63Å; F773-W778 HydrophobicContact CE1-CB 4.2Å; F773-W778 HydrophobicContact CE1-CG 4.32Å; F773-V791 HydrophobicContact CD1-CB 4.35Å; F773-V791 HydrophobicContact CD1-CG1 4.04Å; F773-V791 HydrophobicContact CD2-CG1 3.7Å; F773-V791 HydrophobicContact CE1-CB 4.22Å; F773-V791 HydrophobicContact CE1-CG1 3.98Å; F773-V791 HydrophobicContact CE1-CG2 4.45Å; F773-V791 HydrophobicContact CE2-CG1 3.66Å; F773-V791 HydrophobicContact CG-CG1 3.89Å; F773-V791 HydrophobicContact CZ-CB 4.4Å; F773-V791 HydrophobicContact CZ-CG1 3.78Å; F773-V791 HydrophobicContact CZ-CG2 4.45Å; F773-P793 CarbonylContact O-C 3.53Å; F773-P793 WeakPolarHBondContact O-CA 3.36Å; F773-G794 PolarHBondContact N-O 3.12Å; F773-G794 PolarHBondContact O-N 3.15Å; F773-Q796 HydrophobicContact CD2-CB 3.91Å; F773-Q796 HydrophobicContact CD2-CG 3.75Å; F773-Q796 HydrophobicContact CE2-CB 3.86Å; F773-Q796 HydrophobicContact CE2-CG 4.18Å; F773-L798 HydrophobicContact CE2-CD1 3.94Å; F773-L798 HydrophobicContact CE2-CD2 3.98Å; F773-L798 HydrophobicContact CE2-CG 4.3Å; F773-L798 HydrophobicContact CZ-CD1 3.82Å; F773-L798 HydrophobicContact CZ-CD2 3.97Å; F773-L798 HydrophobicContact CZ-CG 4.44Å; F773-H809 HydrophobicContact CE1-CB 3.99Å; F773-H809 AromaticContact CE1-CD2 3.95Å; F773-H809 AromaticContact CE1-CG 3.62Å; F773-H809 AromaticContact CE1-ND1 3.81Å; F773-H809 AromaticContact CZ-CE1 3.78Å; F773-H809 AromaticContact CZ-CG 3.94Å; F773-H809 AromaticContact CZ-ND1 3.7Å
774	P	97.7	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.			trans	-58.3	163.4	173.9	-24.6	35.2	0	0	0	111.9	L733 F737 T743 Y772 A776 W778	L733-P774 HydrophobicContact CD2-CG 4.3Å; F737-P774 HydrophobicContact CB-CB 4.29Å; F737-P774 HydrophobicContact CB-CG 4.41Å; F737-P774 HydrophobicContact CD1-CB 3.52Å; F737-P774 HydrophobicContact CD1-CG 4.2Å; F737-P774 HydrophobicContact CD2-CB 3.88Å; F737-P774 HydrophobicContact CD2-CG 3.6Å; F737-P774 HydrophobicContact CE1-CB 3.67Å; F737-P774 HydrophobicContact CE1-CG 4.37Å; F737-P774 HydrophobicContact CE2-CB 4.04Å; F737-P774 HydrophobicContact CE2-CG 3.82Å; F737-P774 HydrophobicContact CG-CB 3.62Å; F737-P774 HydrophobicContact CG-CG 3.81Å; F737-P774 HydrophobicContact CZ-CB 3.93Å; F737-P774 HydrophobicContact CZ-CG 4.19Å; T743-P774 HydrophobicContact CG2-CG 4.06Å; Y772-P774 HydrophobicContact CD1-CG 4.12Å; Y772-P774 HydrophobicContact CE1-CB 4.37Å; Y772-P774 HydrophobicContact CE1-CG 3.98Å; P774-A776 VanDerWaalsContact C-N 3.26Å; P774-A776 PolarHBondContact O-N 3.39Å; P774-W778 PolarHBondContact O-NE1 2.89Å; P774-W778 VanDerWaalsContact O-NE1 3.08Å
775	D	93.9	Very high	96.2	Very high	141 Å²	141	46.8 Å²	46.8	75%	0.754	25%	0.249	S	C	*	.	S	Bend	trans	-64.7	81.9	-178.9	-170.6	21.2	0	0	0	112.6
776	A	95.1	Very high	96	Very high	21 Å²	21	41.9 Å²	41.9	17%	0.174	22%	0.222	C	C	.	.	S	Bend	trans	-155.3	166.9	175.5	0	0	0	0	0	108.8	F737 P774 W778 R811	F737-A776 HydrophobicContact CE1-CB 4.29Å; F737-A776 HydrophobicContact CZ-CB 4.45Å; P774-A776 VanDerWaalsContact C-N 3.26Å; P774-A776 PolarHBondContact O-N 3.39Å; A776-W778 HydrophobicContact CB-CZ2 4.42Å; A776-R811 HydrophobicContact CB-CG 4.17Å
777	I	95.7	Very high	95.8	Very high	19 Å²	19	40.6 Å²	40.6	10%	0.097	21%	0.214	C	C	.	.			trans	-80.3	131.2	171.4	-60.6	176.6	0	0	0	108.3	Y779 R790 R811 G812 N841	I777-Y779 HydrophobicContact CG2-CD2 4.2Å; I777-Y779 HydrophobicContact CG2-CE1 4.15Å; I777-Y779 HydrophobicContact CG2-CE2 3.49Å; I777-Y779 VanDerWaalsContact CG2-CE2 3.49Å; I777-Y779 VanDerWaalsContact CG2-CZ 3.45Å; I777-Y779 WeakPolarHBondContact CG2-OH 3.49Å; I777-R790 HydrophobicContact CG2-CG 4.37Å; I777-R811 CarbonylContact O-C 3.49Å; I777-R811 WeakPolarHBondContact O-CA 3.42Å; I777-G812 PolarHBondContact O-N 3.01Å; I777-N841 HydrophobicContact CD1-CB 4.34Å
778	W	97.6	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.5	178.1	-63	97	0	0	0	110.8	F737 M751 M757 F773 P774 A776 R790 V791 H809 V810 R811	F737-W778 HydrophobicContact CE2-CH2 4.1Å; F737-W778 AromaticContact CE2-CZ2 3.79Å; F737-W778 HydrophobicContact CE2-CZ2 3.79Å; F737-W778 HydrophobicContact CZ-CH2 4.08Å; F737-W778 AromaticContact CZ-CZ2 3.52Å; F737-W778 HydrophobicContact CZ-CZ2 3.52Å; M751-W778 HydrophobicContact CE-CH2 3.7Å; M751-W778 HydrophobicContact CE-CZ3 3.92Å; M751-W778 HydrophobicContact SD-CH2 3.85Å; M751-W778 HydrophobicContact SD-CZ3 4.17Å; M757-W778 HydrophobicContact CB-CE3 4.35Å; M757-W778 HydrophobicContact CB-CH2 4.38Å; M757-W778 HydrophobicContact CB-CZ3 3.8Å; M757-W778 HydrophobicContact CE-CE3 4.42Å; M757-W778 HydrophobicContact CE-CH2 3.47Å; M757-W778 VanDerWaalsContact CE-CH2 3.47Å; M757-W778 HydrophobicContact CE-CZ2 3.57Å; M757-W778 HydrophobicContact CE-CZ3 3.9Å; F773-W778 HydrophobicContact CD1-CB 3.85Å; F773-W778 AromaticContact CD1-CD1 3.76Å; F773-W778 HydrophobicContact CD1-CD2 4.09Å; F773-W778 AromaticContact CD1-CG 3.63Å; F773-W778 HydrophobicContact CD1-CG 3.63Å; F773-W778 HydrophobicContact CE1-CB 4.2Å; F773-W778 HydrophobicContact CE1-CG 4.32Å; P774-W778 PolarHBondContact O-NE1 2.89Å; P774-W778 VanDerWaalsContact O-NE1 3.08Å; A776-W778 HydrophobicContact CB-CZ2 4.42Å; W778-R790 VanDerWaalsContact O-CA 3.28Å; W778-R790 WeakPolarHBondContact O-CA 3.3Å; W778-V791 HydrophobicContact CB-CB 4.41Å; W778-V791 PolarHBondContact O-N 3.49Å; W778-H809 HydrophobicContact CE3-CB 4.31Å; W778-V810 WeakPolarHBondContact CA-O 3.33Å; W778-R811 HydrophobicContact CD2-CB 4.45Å; W778-R811 HydrophobicContact CE3-CB 3.85Å; W778-R811 HydrophobicContact CE3-CG 4.39Å; W778-R811 HydrophobicContact CH2-CB 3.83Å; W778-R811 HydrophobicContact CH2-CG 3.97Å; W778-R811 HydrophobicContact CZ2-CB 4.45Å; W778-R811 HydrophobicContact CZ2-CG 4.16Å; W778-R811 HydrophobicContact CZ3-CB 3.51Å; W778-R811 HydrophobicContact CZ3-CG 4.12Å
779	Y	98	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	-178.1	-60.7	-80.9	0	0	0	111.5	I777 G788 L789 R790 H809 V810 A838 V839 L908 G909	I777-Y779 HydrophobicContact CG2-CD2 4.2Å; I777-Y779 HydrophobicContact CG2-CE1 4.15Å; I777-Y779 HydrophobicContact CG2-CE2 3.49Å; I777-Y779 VanDerWaalsContact CG2-CE2 3.49Å; I777-Y779 VanDerWaalsContact CG2-CZ 3.45Å; I777-Y779 WeakPolarHBondContact CG2-OH 3.49Å; Y779-G788 WeakPolarHBondContact CD1-O 3.48Å; Y779-L789 WeakPolarHBondContact CA-O 3.49Å; Y779-R790 HydrophobicContact CD1-CG 3.79Å; Y779-R790 HydrophobicContact CE1-CG 3.53Å; Y779-R790 PolarHBondContact OH-NE 2.83Å; Y779-R790 PolarHBondContact OH-NH2 3.48Å; Y779-H809 CarbonylContact O-C 3.56Å; Y779-H809 WeakPolarHBondContact O-CA 3.43Å; Y779-V810 PolarHBondContact N-O 2.9Å; Y779-V810 PolarHBondContact O-N 3.31Å; Y779-A838 HydrophobicContact CD2-CB 3.82Å; Y779-A838 HydrophobicContact CE2-CB 4.03Å; Y779-V839 WeakPolarHBondContact CE2-O 3.33Å; Y779-V839 PolarHBondContact OH-O 2.66Å; Y779-L908 HydrophobicContact CD1-CB 3.75Å; Y779-L908 HydrophobicContact CD1-CD1 4.48Å; Y779-L908 HydrophobicContact CD2-CB 4.17Å; Y779-L908 HydrophobicContact CD2-CD1 4.46Å; Y779-L908 HydrophobicContact CE1-CB 3.97Å; Y779-L908 HydrophobicContact CE2-CB 4.37Å; Y779-L908 HydrophobicContact CG-CB 3.85Å; Y779-L908 HydrophobicContact CG-CD1 3.96Å; Y779-G909 WeakPolarHBondContact OH-CA 3.49Å
780	N	97.8	Very high	95.5	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132	172.6	179.6	-33.4	0	0	0	110.5	Y782 E783 N787 G788 L789	N780-Y782 WeakPolarHBondContact ND2-CE1 3.5Å; N780-Y782 WeakPolarHBondContact OD1-CD1 3.42Å; N780-Y782 PolarHBondContact OD1-N 3.42Å; N780-E783 PolarHBondContact ND2-OE2 2.91Å; N780-E783 PolarHBondContact OD1-N 3.35Å; N780-N787 CarbonylContact O-C 3.57Å; N780-N787 WeakPolarHBondContact O-CA 3.29Å; N780-G788 PolarHBondContact O-N 2.87Å; N780-L789 PolarHBondContact N-O 2.98Å
781	V	97.4	Very high	95.3	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	18%	0.179	C	C	.	.			trans	-130.2	9.5	174.6	-61.3	0	0	0	0	114.2	V808 V810 L836 L908	V781-V808 HydrophobicContact CG2-CB 4Å; V781-V808 HydrophobicContact CG2-CG1 3.68Å; V781-V808 WeakPolarHBondContact CG2-O 3.11Å; V781-V808 PolarHBondContact N-O 3.11Å; V781-V810 HydrophobicContact CB-CG2 4.39Å; V781-V810 HydrophobicContact CG1-CB 4.15Å; V781-V810 HydrophobicContact CG1-CG2 3.7Å; V781-V810 HydrophobicContact CG2-CG2 3.82Å; V781-L836 HydrophobicContact CG1-CD2 4.09Å; V781-L908 HydrophobicContact CG1-CD1 4.11Å
782	Y	96.1	Very high	95.2	Very high	13 Å²	13	40 Å²	40	5%	0.051	20%	0.204	C	C	.	.	S	Bend	trans	-109	-24.7	-175	80	-77.7	0	0	0	113.5	N780 R799 P805 P806 P807 V808 H809	N780-Y782 WeakPolarHBondContact ND2-CE1 3.5Å; N780-Y782 WeakPolarHBondContact OD1-CD1 3.42Å; N780-Y782 PolarHBondContact OD1-N 3.42Å; Y782-R799 VanDerWaalsContact CE2-O 3.29Å; Y782-R799 WeakPolarHBondContact CE2-O 3.16Å; Y782-R799 PolarHBondContact OH-O 3.47Å; Y782-P805 HydrophobicContact CD2-CG 4.36Å; Y782-P805 WeakPolarHBondContact O-CG 3.26Å; Y782-P806 WeakPolarHBondContact CB-O 3.14Å; Y782-P806 WeakPolarHBondContact CD2-O 3.22Å; Y782-P807 HydrophobicContact CD1-CB 4.39Å; Y782-P807 HydrophobicContact CE1-CB 3.94Å; Y782-P807 HydrophobicContact CE2-CB 4.17Å; Y782-P807 HydrophobicContact CE2-CG 4.13Å; Y782-V808 VanDerWaalsContact CD1-N 3.32Å; Y782-V808 WeakPolarHBondContact CD1-O 3.45Å; Y782-H809 AromaticContact CE1-CE1 3.91Å
783	E	92	Very high	95.1	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.07	22%	0.223	C	C	.	.	S	Bend	trans	-102.4	109.9	173.5	-70.5	-179.9	116.9	0	0	109.9	N780 Y785 L786 N787 R799	N780-E783 PolarHBondContact ND2-OE2 2.91Å; N780-E783 PolarHBondContact OD1-N 3.35Å; E783-Y785 HydrophobicContact CB-CD1 4.45Å; E783-Y785 HydrophobicContact CB-CE1 4.15Å; E783-Y785 HydrophobicContact CG-CE1 4.46Å; E783-Y785 PolarHBondContact O-N 3.31Å; E783-Y785 VanDerWaalsContact O-N 3.1Å; E783-Y785 PolarHBondContact OE1-OH 2.86Å; E783-L786 HydrophobicContact CB-CB 4.18Å; E783-L786 CarbonylContact O-C 3.54Å; E783-L786 PolarHBondContact O-N 3.18Å; E783-L786 WeakPolarHBondContact OE2-CD1 3.25Å; E783-N787 PolarHBondContact O-N 3.41Å; E783-R799 WeakPolarHBondContact OE1-CD 3.41Å; E783-R799 IonicContact OE1-CZ 2.84Å; E783-R799 IonicContact OE1-NE 3.5Å; E783-R799 IonicContact OE1-NH1 3.68Å; E783-R799 PolarHBondContact OE1-NH1 2.79Å
784	D	87.1	Confident	95	Very high	143 Å²	143	43.6 Å²	43.6	77%	0.765	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-52	-40.6	-174.7	-69.7	-21.3	0	0	0	114	L786 N787	D784-L786 VanDerWaalsContact C-N 3.34Å; D784-L786 PolarHBondContact O-N 3.19Å; D784-N787 WeakPolarHBondContact O-CB 3.48Å; D784-N787 PolarHBondContact O-N 3.3Å
785	Y	89.5	Confident	95	Very high	141 Å²	141	50.2 Å²	50.2	55%	0.553	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-77.4	-17.2	-178.9	69.3	-86	0	0	0	113.8	E783 R799	E783-Y785 HydrophobicContact CB-CD1 4.45Å; E783-Y785 HydrophobicContact CB-CE1 4.15Å; E783-Y785 HydrophobicContact CG-CE1 4.46Å; E783-Y785 PolarHBondContact O-N 3.31Å; E783-Y785 VanDerWaalsContact O-N 3.1Å; E783-Y785 PolarHBondContact OE1-OH 2.86Å; Y785-R799 PolarHBondContact OH-NH1 3.12Å
786	L	93.1	Very high	95.2	Very high	42 Å²	42	46.3 Å²	46.3	22%	0.22	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-110.7	7.5	173.6	-57	-175.7	0	0	0	112.6	E783 D784 G788 L789	E783-L786 HydrophobicContact CB-CB 4.18Å; E783-L786 CarbonylContact O-C 3.54Å; E783-L786 PolarHBondContact O-N 3.18Å; E783-L786 WeakPolarHBondContact OE2-CD1 3.25Å; D784-L786 VanDerWaalsContact C-N 3.34Å; D784-L786 PolarHBondContact O-N 3.19Å; L786-G788 PolarHBondContact O-N 2.9Å; L786-L789 HydrophobicContact CB-CB 4.19Å; L786-L789 HydrophobicContact CB-CD2 4.33Å; L786-L789 HydrophobicContact CD1-CD2 4.16Å; L786-L789 HydrophobicContact CD2-CD2 4.24Å; L786-L789 HydrophobicContact CG-CD2 4.47Å; L786-L789 WeakPolarHBondContact O-CB 3.44Å; L786-L789 PolarHBondContact O-N 3.43Å
787	N	93.6	Very high	95.4	Very high	16 Å²	16	54.5 Å²	54.5	9%	0.086	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	113.4	-176.6	179.2	-42.3	0	0	0	110.3	N780 E783 D784 L939 K941	N780-N787 CarbonylContact O-C 3.57Å; N780-N787 WeakPolarHBondContact O-CA 3.29Å; E783-N787 PolarHBondContact O-N 3.41Å; D784-N787 WeakPolarHBondContact O-CB 3.48Å; D784-N787 PolarHBondContact O-N 3.3Å; N787-L939 WeakPolarHBondContact O-CD1 3.48Å; N787-K941 WeakPolarHBondContact O-CD 3.5Å; N787-K941 WeakPolarHBondContact O-CE 3.14Å; N787-K941 PolarHBondContact O-NZ 2.93Å
788	G	95.4	Very high	95.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.3	-6.4	-171.8	0	0	0	0	0	115.3	Y779 N780 L786	Y779-G788 WeakPolarHBondContact CD1-O 3.48Å; N780-G788 PolarHBondContact O-N 2.87Å; L786-G788 PolarHBondContact O-N 2.9Å
789	L	96	Very high	95.4	Very high	63 Å²	63	60 Å²	60	33%	0.33	28%	0.284	S	S	.	.			trans	-67.8	134.7	176.1	-174.7	66.9	0	0	0	110.4	Y779 N780 L786 L939	Y779-L789 WeakPolarHBondContact CA-O 3.49Å; N780-L789 PolarHBondContact N-O 2.98Å; L786-L789 HydrophobicContact CB-CB 4.19Å; L786-L789 HydrophobicContact CB-CD2 4.33Å; L786-L789 HydrophobicContact CD1-CD2 4.16Å; L786-L789 HydrophobicContact CD2-CD2 4.24Å; L786-L789 HydrophobicContact CG-CD2 4.47Å; L786-L789 WeakPolarHBondContact O-CB 3.44Å; L786-L789 PolarHBondContact O-N 3.43Å; L789-L939 HydrophobicContact CB-CD2 4.04Å; L789-L939 HydrophobicContact CD1-CD2 4.39Å
790	R	95.3	Very high	95.4	Very high	91 Å²	91	60 Å²	60	34%	0.343	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145	175.6	-70.6	-172.8	-179.7	161.1	8.8	112.2	I777 W778 Y779 N841 E911	I777-R790 HydrophobicContact CG2-CG 4.37Å; W778-R790 VanDerWaalsContact O-CA 3.28Å; W778-R790 WeakPolarHBondContact O-CA 3.3Å; Y779-R790 HydrophobicContact CD1-CG 3.79Å; Y779-R790 HydrophobicContact CE1-CG 3.53Å; Y779-R790 PolarHBondContact OH-NE 2.83Å; Y779-R790 PolarHBondContact OH-NH2 3.48Å; R790-N841 PolarHBondContact NH2-ND2 3.43Å; R790-E911 IonicContact NH1-OE1 2.73Å; R790-E911 IonicContact NH2-OE1 3.22Å
791	V	95.4	Very high	95.3	Very high	29 Å²	29	61.1 Å²	61.1	18%	0.176	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142	171.5	-176.4	0	0	0	0	109.6	F773 W778 Q796 H809	F773-V791 HydrophobicContact CD1-CB 4.35Å; F773-V791 HydrophobicContact CD1-CG1 4.04Å; F773-V791 HydrophobicContact CD2-CG1 3.7Å; F773-V791 HydrophobicContact CE1-CB 4.22Å; F773-V791 HydrophobicContact CE1-CG1 3.98Å; F773-V791 HydrophobicContact CE1-CG2 4.45Å; F773-V791 HydrophobicContact CE2-CG1 3.66Å; F773-V791 HydrophobicContact CG-CG1 3.89Å; F773-V791 HydrophobicContact CZ-CB 4.4Å; F773-V791 HydrophobicContact CZ-CG1 3.78Å; F773-V791 HydrophobicContact CZ-CG2 4.45Å; W778-V791 HydrophobicContact CB-CB 4.41Å; W778-V791 PolarHBondContact O-N 3.49Å; V791-Q796 HydrophobicContact CG1-CB 4.07Å; V791-Q796 HydrophobicContact CG1-CG 3.66Å; V791-H809 VanDerWaalsContact CG2-CD2 3.45Å; V791-H809 WeakPolarHBondContact CG2-CD2 3.24Å
792	S	94.8	Very high	95.3	Very high	73 Å²	73	62.9 Å²	62.9	51%	0.51	30%	0.3	S	S	.	.			trans	-76.1	149.2	176.1	-64	0	0	0	0	110.6	Q796	S792-Q796 WeakPolarHBondContact O-CG 3.42Å; S792-Q796 PolarHBondContact O-NE2 3.07Å
793	P	95.9	Very high	95.2	Very high	76 Å²	76	62.9 Å²	62.9	49%	0.494	31%	0.305	S	S	.	.	S	Bend	trans	-63.9	163.7	177	27.6	-35.1	0	0	0	112.2	F773 Q796	F773-P793 CarbonylContact O-C 3.53Å; F773-P793 WeakPolarHBondContact O-CA 3.36Å; P793-Q796 PolarHBondContact O-NE2 3.23Å
794	G	97.8	Very high	95.2	Very high	21 Å²	21	62.8 Å²	62.8	22%	0.216	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.3	-162.4	-177	0	0	0	0	0	113.5	F773 Q796	F773-G794 PolarHBondContact N-O 3.12Å; F773-G794 PolarHBondContact O-N 3.15Å; G794-Q796 PolarHBondContact O-N 2.87Å
795	Y	98.3	Very high	95.7	Very high	140 Å²	140	56.8 Å²	56.8	55%	0.549	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.7	179.6	-66.6	-79.7	0	0	0	111.8	V770 G771 Y772	V770-Y795 HydrophobicContact CG1-CD1 4.05Å; V770-Y795 HydrophobicContact CG1-CG 4.47Å; G771-Y795 CarbonylContact O-C 3.59Å; G771-Y795 WeakPolarHBondContact O-CA 3.12Å; Y772-Y795 AromaticContact CD2-CD1 3.91Å; Y772-Y795 HydrophobicContact CD2-CD1 3.91Å; Y772-Y795 AromaticContact CD2-CD2 3.81Å; Y772-Y795 HydrophobicContact CD2-CD2 3.81Å; Y772-Y795 AromaticContact CD2-CE1 3.75Å; Y772-Y795 HydrophobicContact CD2-CE1 3.75Å; Y772-Y795 AromaticContact CD2-CE2 3.63Å; Y772-Y795 HydrophobicContact CD2-CE2 3.63Å; Y772-Y795 AromaticContact CD2-CG 3.94Å; Y772-Y795 HydrophobicContact CD2-CG 3.94Å; Y772-Y795 AromaticContact CD2-CZ 3.6Å; Y772-Y795 HydrophobicContact CE2-CD2 4.28Å; Y772-Y795 HydrophobicContact CE2-CE2 4.02Å; Y772-Y795 HydrophobicContact CG-CD1 4.42Å; Y772-Y795 HydrophobicContact CG-CE1 4.15Å
796	Q	98	Very high	96.1	Very high	58 Å²	58	50 Å²	50	27%	0.271	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.4	-178.2	-57.8	-61	-34.1	0	0	110.8	V770 G771 F773 V791 S792 P793 G794 L798	V770-Q796 CarbonylContact C-O 3.47Å; V770-Q796 WeakPolarHBondContact CA-O 3.28Å; G771-Q796 PolarHBondContact N-O 3.06Å; G771-Q796 PolarHBondContact O-N 3.34Å; F773-Q796 HydrophobicContact CD2-CB 3.91Å; F773-Q796 HydrophobicContact CD2-CG 3.75Å; F773-Q796 HydrophobicContact CE2-CB 3.86Å; F773-Q796 HydrophobicContact CE2-CG 4.18Å; V791-Q796 HydrophobicContact CG1-CB 4.07Å; V791-Q796 HydrophobicContact CG1-CG 3.66Å; S792-Q796 WeakPolarHBondContact O-CG 3.42Å; S792-Q796 PolarHBondContact O-NE2 3.07Å; P793-Q796 PolarHBondContact O-NE2 3.23Å; G794-Q796 PolarHBondContact O-N 2.87Å; Q796-L798 HydrophobicContact CB-CD2 4.43Å
797	R	98.1	Very high	96.4	Very high	193 Å²	193	48 Å²	48	73%	0.728	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.9	172.5	179.8	174.5	-79.4	120.2	-2.4	109.5	V769	V769-R797 CarbonylContact O-C 3.52Å; V769-R797 WeakPolarHBondContact O-CA 3.22Å
798	L	97.7	Very high	96.6	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.073	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.7	-176.3	-54	170.8	0	0	0	110.1	T759 S768 V769 F773 Q796 P807	T759-L798 HydrophobicContact CG2-CD1 3.95Å; S768-L798 CarbonylContact C-O 3.37Å; S768-L798 WeakPolarHBondContact CA-O 3.34Å; S768-L798 WeakPolarHBondContact CB-O 3.36Å; V769-L798 HydrophobicContact CG1-CB 4.16Å; V769-L798 HydrophobicContact CG1-CD1 4.47Å; V769-L798 PolarHBondContact N-O 3.41Å; V769-L798 PolarHBondContact O-N 2.97Å; F773-L798 HydrophobicContact CE2-CD1 3.94Å; F773-L798 HydrophobicContact CE2-CD2 3.98Å; F773-L798 HydrophobicContact CE2-CG 4.3Å; F773-L798 HydrophobicContact CZ-CD1 3.82Å; F773-L798 HydrophobicContact CZ-CD2 3.97Å; F773-L798 HydrophobicContact CZ-CG 4.44Å; Q796-L798 HydrophobicContact CB-CD2 4.43Å; L798-P807 HydrophobicContact CB-CB 4.14Å; L798-P807 HydrophobicContact CB-CG 3.97Å; L798-P807 HydrophobicContact CD1-CB 3.79Å; L798-P807 HydrophobicContact CD1-CG 4.32Å
799	R	96.8	Very high	96.8	Very high	122 Å²	122	47.3 Å²	47.3	46%	0.46	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.1	174.9	-175.6	175.4	166	-111.3	1.4	109.6	Y782 E783 Y785	Y782-R799 VanDerWaalsContact CE2-O 3.29Å; Y782-R799 WeakPolarHBondContact CE2-O 3.16Å; Y782-R799 PolarHBondContact OH-O 3.47Å; E783-R799 WeakPolarHBondContact OE1-CD 3.41Å; E783-R799 IonicContact OE1-CZ 2.84Å; E783-R799 IonicContact OE1-NE 3.5Å; E783-R799 IonicContact OE1-NH1 3.68Å; E783-R799 PolarHBondContact OE1-NH1 2.79Å; Y785-R799 PolarHBondContact OH-NH1 3.12Å
800	A	97.3	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.			trans	-137.1	72.1	-177.1	0	0	0	0	0	110	R661 A761 L767 V769 P807	R661-A800 PolarHBondContact NH1-O 2.9Å; R661-A800 PolarHBondContact NH2-O 3.02Å; A761-A800 HydrophobicContact CB-CB 4.02Å; L767-A800 CarbonylContact C-O 3.41Å; L767-A800 CarbonylContact O-C 3.6Å; L767-A800 PolarHBondContact O-N 3.23Å; V769-A800 HydrophobicContact CG1-CB 4.36Å; A800-P807 HydrophobicContact CB-CG 4.04Å
801	P	96.2	Very high	97	Very high	29 Å²	29	42.5 Å²	42.5	19%	0.188	21%	0.213	C	C	.	.			trans	-66.8	154.7	-179.1	31.6	-31.7	0	0	0	110.6	R661 Q664	R661-P801 PolarHBondContact NH1-O 3.27Å; Q664-P801 PolarHBondContact NE2-O 3.25Å
802	L	96.1	Very high	97.1	Very high	40 Å²	40	41.3 Å²	41.3	21%	0.209	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-35.1	-175.6	-167.8	65	0	0	0	113.4	E657 A660 R661 Q664 A700	E657-L802 HydrophobicContact CG-CD1 4.06Å; A660-L802 HydrophobicContact CB-CD1 3.65Å; A660-L802 HydrophobicContact CB-CD2 4.35Å; A660-L802 HydrophobicContact CB-CG 3.87Å; R661-L802 HydrophobicContact CG-CD1 4.02Å; Q664-L802 PolarHBondContact NE2-O 3.19Å; A700-L802 VanDerWaalsContact CB-O 3.3Å; A700-L802 WeakPolarHBondContact CB-O 3.45Å
803	G	94.2	Very high	97.2	Very high	14 Å²	14	38.5 Å²	38.5	14%	0.144	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.9	179.9	0	0	0	0	0	115.1	N703	N703-G803 PolarHBondContact ND2-O 2.83Å
804	G	92.7	Very high	97.3	Very high	12 Å²	12	37.6 Å²	37.6	12%	0.124	18%	0.176	C	C	.	.	S	Bend	trans	-92.9	177.1	-178.7	0	0	0	0	0	113.4	Q664	Q664-G804 WeakPolarHBondContact CG-O 3.28Å; Q664-G804 PolarHBondContact NE2-O 3.24Å
805	P	97.3	Very high	97.4	Very high	17 Å²	17	36.8 Å²	36.8	11%	0.11	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-63.7	161.6	160.8	28.5	-33.9	0	0	0	111.5	S704 L707 Y782	S704-P805 WeakPolarHBondContact OG-CA 3.42Å; L707-P805 HydrophobicContact CB-CB 4.41Å; L707-P805 HydrophobicContact CD2-CB 3.61Å; L707-P805 HydrophobicContact CD2-CG 3.88Å; Y782-P805 HydrophobicContact CD2-CG 4.36Å; Y782-P805 WeakPolarHBondContact O-CG 3.26Å
806	P	98	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-62.5	160.9	166.6	32.3	-35.6	0	0	0	110	Q664 F668 I758 P760 Y782 V808	Q664-P806 HydrophobicContact CB-CB 4.35Å; Q664-P806 HydrophobicContact CB-CG 4.39Å; Q664-P806 WeakPolarHBondContact O-CD 3.34Å; Q664-P806 WeakPolarHBondContact O-CG 3.42Å; F668-P806 HydrophobicContact CD2-CG 3.74Å; F668-P806 HydrophobicContact CE2-CG 3.51Å; F668-P806 HydrophobicContact CZ-CG 4.45Å; I758-P806 HydrophobicContact CG2-CB 4.45Å; I758-P806 HydrophobicContact CG2-CG 4.08Å; P760-P806 HydrophobicContact CB-CB 4.43Å; Y782-P806 WeakPolarHBondContact CB-O 3.14Å; Y782-P806 WeakPolarHBondContact CD2-O 3.22Å; P806-V808 HydrophobicContact CG-CG2 4.43Å; P806-V808 WeakPolarHBondContact O-CG2 3.21Å; P806-V808 PolarHBondContact O-N 2.79Å; P806-V808 VanDerWaalsContact O-N 3.16Å
807	P	98.6	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-53.5	120.6	168.7	-25.2	29.8	0	0	0	112.6	T759 V769 Y782 L798 A800	T759-P807 PolarHBondContact N-O 2.94Å; T759-P807 WeakPolarHBondContact O-CD 3.42Å; T759-P807 WeakPolarHBondContact O-CG 3.46Å; V769-P807 HydrophobicContact CG1-CG 3.87Å; Y782-P807 HydrophobicContact CD1-CB 4.39Å; Y782-P807 HydrophobicContact CE1-CB 3.94Å; Y782-P807 HydrophobicContact CE2-CB 4.17Å; Y782-P807 HydrophobicContact CE2-CG 4.13Å; L798-P807 HydrophobicContact CB-CB 4.14Å; L798-P807 HydrophobicContact CB-CG 3.97Å; L798-P807 HydrophobicContact CD1-CB 3.79Å; L798-P807 HydrophobicContact CD1-CG 4.32Å; A800-P807 HydrophobicContact CB-CG 4.04Å
808	V	98.7	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.2	175.9	-173.7	0	0	0	0	110.1	F668 L707 M756 M757 I758 V781 Y782 P806	F668-V808 HydrophobicContact CE1-CG2 3.86Å; F668-V808 HydrophobicContact CE2-CG2 4.19Å; F668-V808 HydrophobicContact CZ-CG2 3.57Å; L707-V808 HydrophobicContact CD2-CB 4.35Å; L707-V808 HydrophobicContact CD2-CG2 3.9Å; M756-V808 HydrophobicContact CE-CG1 4.41Å; M756-V808 HydrophobicContact CG-CG1 3.55Å; M756-V808 HydrophobicContact SD-CG1 3.76Å; M757-V808 WeakPolarHBondContact O-CA 3.4Å; I758-V808 HydrophobicContact CG1-CG2 4.44Å; V781-V808 HydrophobicContact CG2-CB 4Å; V781-V808 HydrophobicContact CG2-CG1 3.68Å; V781-V808 WeakPolarHBondContact CG2-O 3.11Å; V781-V808 PolarHBondContact N-O 3.11Å; Y782-V808 VanDerWaalsContact CD1-N 3.32Å; Y782-V808 WeakPolarHBondContact CD1-O 3.45Å; P806-V808 HydrophobicContact CG-CG2 4.43Å; P806-V808 WeakPolarHBondContact O-CG2 3.21Å; P806-V808 PolarHBondContact O-N 2.79Å; P806-V808 VanDerWaalsContact O-N 3.16Å
809	H	98.7	Very high	97.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.6	-179.1	-60.8	80.4	0	0	0	111.5	M756 M757 F773 W778 Y779 Y782 V791	M756-H809 CarbonylContact C-O 3.57Å; M756-H809 WeakPolarHBondContact CA-O 3.25Å; M757-H809 PolarHBondContact N-O 3.42Å; M757-H809 PolarHBondContact O-N 3.3Å; F773-H809 HydrophobicContact CE1-CB 3.99Å; F773-H809 AromaticContact CE1-CD2 3.95Å; F773-H809 AromaticContact CE1-CG 3.62Å; F773-H809 AromaticContact CE1-ND1 3.81Å; F773-H809 AromaticContact CZ-CE1 3.78Å; F773-H809 AromaticContact CZ-CG 3.94Å; F773-H809 AromaticContact CZ-ND1 3.7Å; W778-H809 HydrophobicContact CE3-CB 4.31Å; Y779-H809 CarbonylContact O-C 3.56Å; Y779-H809 WeakPolarHBondContact O-CA 3.43Å; Y782-H809 AromaticContact CE1-CE1 3.91Å; V791-H809 VanDerWaalsContact CG2-CD2 3.45Å; V791-H809 WeakPolarHBondContact CG2-CD2 3.24Å
810	V	98.5	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.5	176.4	175.2	0	0	0	0	110.1	A755 M756 W778 Y779 V781 L816 L836 A838	A755-V810 CarbonylContact O-C 3.41Å; A755-V810 VanDerWaalsContact O-CA 3.29Å; A755-V810 WeakPolarHBondContact O-CA 3.28Å; M756-V810 HydrophobicContact CE-CG2 4.2Å; W778-V810 WeakPolarHBondContact CA-O 3.33Å; Y779-V810 PolarHBondContact N-O 2.9Å; Y779-V810 PolarHBondContact O-N 3.31Å; V781-V810 HydrophobicContact CB-CG2 4.39Å; V781-V810 HydrophobicContact CG1-CB 4.15Å; V781-V810 HydrophobicContact CG1-CG2 3.7Å; V781-V810 HydrophobicContact CG2-CG2 3.82Å; V810-L816 HydrophobicContact CG1-CD1 3.82Å; V810-L816 HydrophobicContact CG1-CD2 4.16Å; V810-L816 HydrophobicContact CG2-CD2 3.93Å; V810-L836 HydrophobicContact CG2-CD2 4.36Å; V810-A838 HydrophobicContact CG1-CB 3.65Å
811	R	97.8	Very high	97.3	Very high	54 Å²	54	21.6 Å²	21.6	20%	0.204	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.4	176.7	-166.2	175.2	170.4	-177.4	4.5	110.5	F737 A755 A776 I777 W778 Y814 A838	F737-R811 VanDerWaalsContact CE1-CZ 3.44Å; F737-R811 VanDerWaalsContact CE1-NH2 3.34Å; F737-R811 VanDerWaalsContact CZ-NH1 3.32Å; A755-R811 PolarHBondContact O-N 3.3Å; A776-R811 HydrophobicContact CB-CG 4.17Å; I777-R811 CarbonylContact O-C 3.49Å; I777-R811 WeakPolarHBondContact O-CA 3.42Å; W778-R811 HydrophobicContact CD2-CB 4.45Å; W778-R811 HydrophobicContact CE3-CB 3.85Å; W778-R811 HydrophobicContact CE3-CG 4.39Å; W778-R811 HydrophobicContact CH2-CB 3.83Å; W778-R811 HydrophobicContact CH2-CG 3.97Å; W778-R811 HydrophobicContact CZ2-CB 4.45Å; W778-R811 HydrophobicContact CZ2-CG 4.16Å; W778-R811 HydrophobicContact CZ3-CB 3.51Å; W778-R811 HydrophobicContact CZ3-CG 4.12Å; R811-Y814 HydrophobicContact CB-CD2 3.98Å; R811-Y814 HydrophobicContact CB-CE2 4.23Å; R811-Y814 HydrophobicContact CG-CD2 4.27Å; R811-Y814 HydrophobicContact CG-CE2 4.14Å; R811-A838 WeakPolarHBondContact O-CB 3.5Å
812	G	97	Very high	97.3	Very high	4 Å²	4	20.9 Å²	20.9	4%	0.041	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	144.3	169.9	0	0	0	0	0	111.5	I777 A838	I777-G812 PolarHBondContact O-N 3.01Å; G812-A838 CarbonylContact C-O 3.55Å; G812-A838 WeakPolarHBondContact CA-O 3.4Å
813	G	97.3	Very high	97.3	Very high	13 Å²	13	21.2 Å²	21.2	13%	0.134	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	0.7	-174.5	0	0	0	0	0	113.6	A838 S847 V848	G813-A838 PolarHBondContact N-O 3.08Å; G813-S847 CarbonylContact O-C 3.56Å; G813-S847 VanDerWaalsContact O-CA 3.22Å; G813-S847 WeakPolarHBondContact O-CA 3.23Å; G813-V848 PolarHBondContact O-N 3.47Å
814	Y	98.2	Very high	97.5	Very high	58 Å²	58	20.7 Å²	20.7	23%	0.227	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.8	-177.6	-66.4	-84.9	0	0	0	113.4	P754 A755 R811 A838 V848	P754-Y814 HydrophobicContact CB-CE1 3.87Å; P754-Y814 WeakPolarHBondContact CB-OH 3.26Å; P754-Y814 HydrophobicContact CG-CD1 4.23Å; P754-Y814 HydrophobicContact CG-CE1 3.52Å; A755-Y814 HydrophobicContact CB-CD1 3.8Å; A755-Y814 HydrophobicContact CB-CD2 3.84Å; A755-Y814 HydrophobicContact CB-CE1 4.48Å; A755-Y814 HydrophobicContact CB-CG 3.44Å; A755-Y814 VanDerWaalsContact CB-CG 3.44Å; R811-Y814 HydrophobicContact CB-CD2 3.98Å; R811-Y814 HydrophobicContact CB-CE2 4.23Å; R811-Y814 HydrophobicContact CG-CD2 4.27Å; R811-Y814 HydrophobicContact CG-CE2 4.14Å; Y814-A838 PolarHBondContact N-O 3.42Å; Y814-A838 PolarHBondContact O-N 2.77Å; Y814-V848 CarbonylContact C-O 3.54Å; Y814-V848 WeakPolarHBondContact CA-O 3.4Å
815	I	98.7	Very high	97.7	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.3	172	-54	172.3	0	0	0	108.1	L835 L836 I837 V848 G849 F870 L881	I815-L835 HydrophobicContact CG2-CB 4.3Å; I815-L836 CarbonylContact C-O 3.56Å; I815-L836 VanDerWaalsContact CA-O 3.25Å; I815-L836 WeakPolarHBondContact CA-O 3.31Å; I815-I837 HydrophobicContact CD1-CG1 4.49Å; I815-I837 HydrophobicContact CG1-CB 4.47Å; I815-I837 HydrophobicContact CG1-CG1 4.18Å; I815-I837 HydrophobicContact CG1-CG2 4.22Å; I815-I837 HydrophobicContact CG2-CG1 4.19Å; I815-V848 PolarHBondContact N-O 3.3Å; I815-G849 WeakPolarHBondContact O-CA 3.32Å; I815-F870 HydrophobicContact CB-CB 4.47Å; I815-F870 HydrophobicContact CD1-CB 3.69Å; I815-F870 HydrophobicContact CG2-CB 4.28Å; I815-F870 HydrophobicContact CG2-CD2 4.29Å; I815-L881 HydrophobicContact CD1-CD1 3.72Å
816	L	98.8	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.6	-176.6	-75.8	68.6	0	0	0	110	Y711 Y714 A755 M756 V810 L836	Y711-L816 HydrophobicContact CD1-CD2 4.22Å; Y711-L816 HydrophobicContact CE1-CB 4.33Å; Y711-L816 HydrophobicContact CE1-CD2 4.04Å; Y714-L816 HydrophobicContact CD1-CD2 4.17Å; Y714-L816 HydrophobicContact CD2-CB 4.48Å; Y714-L816 HydrophobicContact CD2-CD2 4.41Å; Y714-L816 HydrophobicContact CD2-CG 3.92Å; Y714-L816 HydrophobicContact CE1-CD2 4.28Å; Y714-L816 HydrophobicContact CE2-CG 4.1Å; Y714-L816 HydrophobicContact CG-CD2 4.23Å; Y714-L816 HydrophobicContact CG-CG 4.16Å; A755-L816 HydrophobicContact CB-CD1 3.91Å; M756-L816 HydrophobicContact CE-CD2 3.73Å; V810-L816 HydrophobicContact CG1-CD1 3.82Å; V810-L816 HydrophobicContact CG1-CD2 4.16Å; V810-L816 HydrophobicContact CG2-CD2 3.93Å; L816-L836 HydrophobicContact CB-CB 4.44Å; L816-L836 PolarHBondContact N-O 3.34Å; L816-L836 PolarHBondContact O-N 3.09Å
817	P	98.6	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	141.2	169.8	33	-35.3	0	0	0	111	P713 Y714 L835 Y850 L851	P713-P817 HydrophobicContact CB-CB 4.13Å; P713-P817 HydrophobicContact CB-CG 4.23Å; Y714-P817 PolarHBondContact N-O 2.79Å; P817-L835 HydrophobicContact CB-CD2 4.05Å; P817-Y850 WeakPolarHBondContact CD-O 3.46Å; P817-Y850 WeakPolarHBondContact CG-O 3.42Å; P817-L851 HydrophobicContact CB-CB 4.15Å; P817-L851 HydrophobicContact CB-CD1 3.9Å; P817-L851 HydrophobicContact CB-CD2 4.48Å; P817-L851 HydrophobicContact CB-CG 4.4Å; P817-L851 HydrophobicContact CG-CB 4.13Å; P817-L851 HydrophobicContact CG-CD1 3.98Å
818	R	98.1	Very high	97.4	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.8	178.8	65.4	-174	-168.1	-167.4	-0	111.2	Y710 Y711 E834 E906	Y710-R818 HydrophobicContact CD2-CB 3.71Å; Y710-R818 HydrophobicContact CD2-CG 3.89Å; Y710-R818 HydrophobicContact CE2-CB 3.93Å; Y710-R818 HydrophobicContact CE2-CG 3.54Å; Y710-R818 HydrophobicContact CG-CB 4.36Å; Y710-R818 VanDerWaalsContact CZ-CD 3.48Å; Y710-R818 VanDerWaalsContact CZ-NE 3.28Å; Y710-R818 CarbonylContact O-C 3.59Å; Y710-R818 WeakPolarHBondContact O-CA 3.45Å; Y710-R818 WeakPolarHBondContact O-CB 3.13Å; Y710-R818 VanDerWaalsContact OH-CZ 3.27Å; Y710-R818 PolarHBondContact OH-NE 3.06Å; Y710-R818 VanDerWaalsContact OH-NE 3.09Å; Y710-R818 PolarHBondContact OH-NH2 2.9Å; Y711-R818 HydrophobicContact CD1-CB 4.15Å; Y711-R818 HydrophobicContact CE1-CB 4.32Å; R818-E834 HydrophobicContact CG-CB 3.81Å; R818-E834 IonicContact CZ-OE2 3.92Å; R818-E834 PolarHBondContact N-O 3.29Å; R818-E834 IonicContact NE-OE2 2.72Å; R818-E834 PolarHBondContact NE-OE2 2.81Å; R818-E834 VanDerWaalsContact NE-OE2 3.17Å; R818-E834 IonicContact NH2-OE2 2.91Å; R818-E834 PolarHBondContact NH2-OE2 3.28Å; R818-E834 PolarHBondContact O-N 2.7Å; R818-E906 IonicContact CZ-OE1 3.54Å; R818-E906 IonicContact NH1-OE1 3.5Å; R818-E906 PolarHBondContact NH1-OE1 2.88Å; R818-E906 IonicContact NH2-OE1 3.17Å; R818-E906 PolarHBondContact NH2-OE1 3.22Å
819	Q	97.5	Very high	97.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.2	178	-75.4	-179.4	-75.3	0	0	109.1	Y710 P713 R829 Q831 F833	Y710-Q819 WeakPolarHBondContact CA-O 3.46Å; Y710-Q819 VanDerWaalsContact CD2-O 3.23Å; Y710-Q819 WeakPolarHBondContact CD2-O 3.19Å; Y710-Q819 PolarHBondContact O-N 2.82Å; P713-Q819 HydrophobicContact CG-CB 4.17Å; P713-Q819 HydrophobicContact CG-CG 3.94Å; Q819-R829 PolarHBondContact NE2-O 2.83Å; Q819-R829 VanDerWaalsContact NE2-O 3.14Å; Q819-Q831 HydrophobicContact CB-CB 4.44Å; Q819-Q831 PolarHBondContact NE2-O 2.96Å; Q819-F833 HydrophobicContact CG-CD1 3.62Å; Q819-F833 HydrophobicContact CG-CD2 4.47Å; Q819-F833 HydrophobicContact CG-CE1 3.74Å; Q819-F833 HydrophobicContact CG-CG 4.02Å; Q819-F833 HydrophobicContact CG-CZ 4.25Å
820	R	95.9	Very high	97	Very high	149 Å²	149	33 Å²	33	56%	0.562	16%	0.159	S	C	*	.			trans	-52.4	137.5	179.8	-69.2	-176.3	178.4	-169	-3.9	110.9	Q831 E834	R820-Q831 HydrophobicContact CB-CB 4.04Å; R820-Q831 HydrophobicContact CB-CG 3.99Å; R820-Q831 WeakPolarHBondContact O-CG 3.25Å; R820-E834 IonicContact NE-OE1 3.08Å
821	P	96.6	Very high	97	Very high	55 Å²	55	36.1 Å²	36.1	36%	0.357	17%	0.173	S	C	.	.			trans	-71.3	141.7	-177.3	29.1	-35.3	0	0	0	111.4	A706	A706-P821 HydrophobicContact CB-CG 4.29Å
822	G	96	Very high	96.9	Very high	14 Å²	14	34.9 Å²	34.9	14%	0.144	17%	0.172	C	C	.	.			trans	-109.9	-173	163.2	0	0	0	0	0	111.3	N824 S828	G822-N824 PolarHBondContact O-N 2.96Å; G822-S828 PolarHBondContact N-OG 3.32Å
823	L	96.6	Very high	97	Very high	47 Å²	47	34.7 Å²	34.7	25%	0.246	17%	0.17	C	C	.	.	S	Bend	trans	-79.3	-4.6	178.9	-60.9	-179.9	0	0	0	113.7	E359 P361 Q362	E359-L823 HydrophobicContact CB-CD2 3.91Å; E359-L823 WeakPolarHBondContact O-CD2 3.09Å; P361-L823 VanDerWaalsContact CA-O 3.29Å; P361-L823 WeakPolarHBondContact CA-O 3.43Å; Q362-L823 PolarHBondContact N-O 3.5Å
824	N	97.7	Very high	97	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	17%	0.166	C	C	.	.	S	Bend	trans	-158.1	174.1	170.7	58.1	38.6	0	0	0	109.6	D363 N399 G822 N826 Q827 S828	D363-N824 WeakPolarHBondContact OD2-CA 3.36Å; N399-N824 PolarHBondContact O-ND2 3.32Å; G822-N824 PolarHBondContact O-N 2.96Å; N824-N826 VanDerWaalsContact C-N 3.34Å; N824-N826 PolarHBondContact O-N 3.48Å; N824-N826 WeakPolarHBondContact OD1-CB 3.49Å; N824-N826 PolarHBondContact OD1-N 3.28Å; N824-Q827 PolarHBondContact O-N 2.93Å; N824-Q827 WeakPolarHBondContact OD1-CB 3.48Å; N824-Q827 WeakPolarHBondContact OD1-CG 3.33Å; N824-Q827 PolarHBondContact OD1-N 3.46Å; N824-S828 WeakPolarHBondContact O-CB 3.42Å; N824-S828 PolarHBondContact O-N 3.19Å; N824-S828 PolarHBondContact O-OG 2.79Å
825	T	97.5	Very high	97	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-36	179.5	57.8	0	0	0	0	112.9	Y330 W331 D363 Y709 L712 Q827 S828 R829	Y330-T825 HydrophobicContact CD1-CG2 4.01Å; Y330-T825 HydrophobicContact CE1-CG2 4.03Å; W331-T825 WeakPolarHBondContact CA-OG1 3.12Å; D363-T825 WeakPolarHBondContact OD1-CB 3.41Å; D363-T825 WeakPolarHBondContact OD1-CG2 3.08Å; D363-T825 PolarHBondContact OD1-N 3.47Å; D363-T825 PolarHBondContact OD1-OG1 2.89Å; D363-T825 PolarHBondContact OD2-N 3.48Å; Y709-T825 HydrophobicContact CE1-CG2 4.33Å; L712-T825 HydrophobicContact CD1-CG2 3.83Å; T825-Q827 PolarHBondContact O-N 3.31Å; T825-S828 PolarHBondContact O-N 3.34Å; T825-R829 WeakPolarHBondContact O-CB 3.5Å; T825-R829 VanDerWaalsContact O-CG 3.25Å; T825-R829 WeakPolarHBondContact O-CG 3.17Å; T825-R829 PolarHBondContact O-N 3.43Å
826	N	94.5	Very high	97	Very high	56 Å²	56	31.7 Å²	31.7	30%	0.299	15%	0.154	S	C	.	.	H	α-helix	trans	-58	-50.9	176.7	-72.1	-16.7	0	0	0	111.5	N824 S828 R829 E830	N824-N826 VanDerWaalsContact C-N 3.34Å; N824-N826 PolarHBondContact O-N 3.48Å; N824-N826 WeakPolarHBondContact OD1-CB 3.49Å; N824-N826 PolarHBondContact OD1-N 3.28Å; N826-S828 VanDerWaalsContact C-N 3.35Å; N826-S828 PolarHBondContact O-N 2.92Å; N826-R829 PolarHBondContact O-N 3.43Å; N826-E830 PolarHBondContact O-N 2.99Å
827	Q	95.8	Very high	97	Very high	73 Å²	73	31.7 Å²	31.7	34%	0.341	15%	0.154	S	C	.	.	H	α-helix	trans	-66.2	-37.3	177.9	-69.3	174.4	8.8	0	0	112.2	N824 T825 E830 Q831	N824-Q827 PolarHBondContact O-N 2.93Å; N824-Q827 WeakPolarHBondContact OD1-CB 3.48Å; N824-Q827 WeakPolarHBondContact OD1-CG 3.33Å; N824-Q827 PolarHBondContact OD1-N 3.46Å; T825-Q827 PolarHBondContact O-N 3.31Å; Q827-E830 PolarHBondContact O-N 3.36Å; Q827-Q831 PolarHBondContact O-NE2 3.1Å
828	S	97.2	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-40.5	178.9	-53.9	0	0	0	0	111.4	G822 N824 T825 N826 E830 Q831	G822-S828 PolarHBondContact N-OG 3.32Å; N824-S828 WeakPolarHBondContact O-CB 3.42Å; N824-S828 PolarHBondContact O-N 3.19Å; N824-S828 PolarHBondContact O-OG 2.79Å; T825-S828 PolarHBondContact O-N 3.34Å; N826-S828 VanDerWaalsContact C-N 3.35Å; N826-S828 PolarHBondContact O-N 2.92Å; S828-E830 PolarHBondContact O-N 2.82Å; S828-Q831 WeakPolarHBondContact O-CB 3.41Å; S828-Q831 PolarHBondContact O-N 3.41Å
829	R	94.9	Very high	96.8	Very high	30 Å²	30	31.6 Å²	31.6	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-20.7	178.4	-74.5	177.6	72.1	81.8	-1.1	113.4	Y330 Q819 T825 N826 Q831 W853 D854 P900	Y330-R829 VanDerWaalsContact CD1-CD 3.46Å; Y330-R829 HydrophobicContact CD1-CG 4Å; Y330-R829 HydrophobicContact CE1-CG 3.53Å; Q819-R829 PolarHBondContact NE2-O 2.83Å; Q819-R829 VanDerWaalsContact NE2-O 3.14Å; T825-R829 WeakPolarHBondContact O-CB 3.5Å; T825-R829 VanDerWaalsContact O-CG 3.25Å; T825-R829 WeakPolarHBondContact O-CG 3.17Å; T825-R829 PolarHBondContact O-N 3.43Å; N826-R829 PolarHBondContact O-N 3.43Å; R829-Q831 VanDerWaalsContact C-N 3.28Å; R829-W853 HydrophobicContact CB-CH2 3.98Å; R829-W853 HydrophobicContact CG-CH2 3.96Å; R829-W853 HydrophobicContact CG-CZ3 4.38Å; R829-W853 VanDerWaalsContact NH2-CZ2 3.26Å; R829-D854 PolarHBondContact NH2-O 3.1Å; R829-P900 WeakPolarHBondContact O-CG 3.42Å
830	E	94.6	Very high	96.6	Very high	129 Å²	129	33.4 Å²	33.4	60%	0.603	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.9	173	-68.7	-178.6	164	0	0	112.9	N826 Q827 S828	N826-E830 PolarHBondContact O-N 2.99Å; Q827-E830 PolarHBondContact O-N 3.36Å; S828-E830 PolarHBondContact O-N 2.82Å
831	Q	97	Very high	96.1	Very high	65 Å²	65	28.7 Å²	28.7	30%	0.304	15%	0.15	S	C	.	.	S	Bend	trans	-72.2	148.9	-178.6	-59.7	-55.6	-47.2	0	0	111.4	Q819 R820 Q827 S828 R829 P900	Q819-Q831 HydrophobicContact CB-CB 4.44Å; Q819-Q831 PolarHBondContact NE2-O 2.96Å; R820-Q831 HydrophobicContact CB-CB 4.04Å; R820-Q831 HydrophobicContact CB-CG 3.99Å; R820-Q831 WeakPolarHBondContact O-CG 3.25Å; Q827-Q831 PolarHBondContact O-NE2 3.1Å; S828-Q831 WeakPolarHBondContact O-CB 3.41Å; S828-Q831 PolarHBondContact O-N 3.41Å; R829-Q831 VanDerWaalsContact C-N 3.28Å; Q831-P900 WeakPolarHBondContact O-CB 3.49Å
832	P	97	Very high	95.4	Very high	28 Å²	28	32.3 Å²	32.3	18%	0.182	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-58.2	149.9	172.1	-22.5	32.8	0	0	0	112.2	D901 Y903	P832-D901 CarbonylContact C-O 3.54Å; P832-D901 WeakPolarHBondContact CA-O 3.38Å; P832-D901 WeakPolarHBondContact CB-O 3.02Å; P832-Y903 HydrophobicContact CB-CD1 3.66Å; P832-Y903 HydrophobicContact CB-CD2 3.52Å; P832-Y903 HydrophobicContact CB-CE1 4.07Å; P832-Y903 HydrophobicContact CB-CE2 3.91Å; P832-Y903 HydrophobicContact CB-CG 3.37Å; P832-Y903 HydrophobicContact CG-CD1 4.19Å; P832-Y903 HydrophobicContact CG-CD2 3.44Å; P832-Y903 VanDerWaalsContact CG-CD2 3.44Å; P832-Y903 HydrophobicContact CG-CE1 4.17Å; P832-Y903 HydrophobicContact CG-CE2 3.39Å; P832-Y903 HydrophobicContact CG-CG 3.86Å
833	F	98	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	153.9	174.1	-86	-79.4	0	0	0	112	P713 Q819 L851 W853 L899 P900 D901 L902 Y903 W952	P713-F833 HydrophobicContact CB-CE1 3.99Å; P713-F833 HydrophobicContact CG-CE1 4.12Å; Q819-F833 HydrophobicContact CG-CD1 3.62Å; Q819-F833 HydrophobicContact CG-CD2 4.47Å; Q819-F833 HydrophobicContact CG-CE1 3.74Å; Q819-F833 HydrophobicContact CG-CG 4.02Å; Q819-F833 HydrophobicContact CG-CZ 4.25Å; F833-L851 HydrophobicContact CD1-CD2 4.23Å; F833-L851 HydrophobicContact CE1-CD1 3.87Å; F833-L851 HydrophobicContact CE1-CD2 3.78Å; F833-L851 HydrophobicContact CE2-CD2 4.46Å; F833-L851 HydrophobicContact CZ-CD1 4.15Å; F833-L851 HydrophobicContact CZ-CD2 3.89Å; F833-W853 HydrophobicContact CE2-CE3 4.25Å; F833-W853 HydrophobicContact CE2-CH2 4.37Å; F833-W853 HydrophobicContact CE2-CZ3 4.16Å; F833-W853 HydrophobicContact CZ-CD2 4.23Å; F833-W853 AromaticContact CZ-CE3 3.59Å; F833-W853 HydrophobicContact CZ-CE3 3.59Å; F833-W853 HydrophobicContact CZ-CH2 4.2Å; F833-W853 AromaticContact CZ-CZ3 3.55Å; F833-W853 HydrophobicContact CZ-CZ3 3.55Å; F833-L899 HydrophobicContact CD2-CD1 4.42Å; F833-L899 HydrophobicContact CE2-CD1 3.7Å; F833-L899 HydrophobicContact CZ-CD1 4.41Å; F833-P900 HydrophobicContact CD2-CB 3.97Å; F833-P900 HydrophobicContact CD2-CG 4.43Å; F833-P900 HydrophobicContact CE2-CB 4.24Å; F833-P900 HydrophobicContact CE2-CG 4.21Å; F833-D901 PolarHBondContact N-O 3.09Å; F833-L902 HydrophobicContact CB-CB 4.45Å; F833-L902 HydrophobicContact CB-CD1 3.97Å; F833-L902 WeakPolarHBondContact O-CD1 3.41Å; F833-Y903 PolarHBondContact O-N 3.2Å; F833-W952 HydrophobicContact CB-CH2 3.63Å; F833-W952 HydrophobicContact CB-CZ2 3.71Å; F833-W952 HydrophobicContact CD1-CH2 4.32Å; F833-W952 AromaticContact CD2-CH2 3.76Å; F833-W952 HydrophobicContact CD2-CH2 3.76Å; F833-W952 AromaticContact CD2-CZ2 3.47Å; F833-W952 HydrophobicContact CD2-CZ2 3.47Å; F833-W952 VanDerWaalsContact CD2-CZ2 3.47Å; F833-W952 HydrophobicContact CE2-CH2 4.45Å; F833-W952 HydrophobicContact CE2-CZ2 4.26Å; F833-W952 AromaticContact CG-CH2 3.65Å; F833-W952 HydrophobicContact CG-CH2 3.65Å; F833-W952 AromaticContact CG-CZ2 3.76Å; F833-W952 HydrophobicContact CG-CZ2 3.76Å
834	E	98.1	Very high	93.5	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.7	164.6	-44.2	-174.8	175.3	0	0	109.5	Y710 R818 R820 T904	Y710-E834 PolarHBondContact OH-OE2 2.9Å; R818-E834 HydrophobicContact CG-CB 3.81Å; R818-E834 IonicContact CZ-OE2 3.92Å; R818-E834 PolarHBondContact N-O 3.29Å; R818-E834 IonicContact NE-OE2 2.72Å; R818-E834 PolarHBondContact NE-OE2 2.81Å; R818-E834 VanDerWaalsContact NE-OE2 3.17Å; R818-E834 IonicContact NH2-OE2 2.91Å; R818-E834 PolarHBondContact NH2-OE2 3.28Å; R818-E834 PolarHBondContact O-N 2.7Å; R820-E834 IonicContact NE-OE1 3.08Å; E834-T904 CarbonylContact C-O 3.54Å; E834-T904 WeakPolarHBondContact CA-O 3.49Å
835	L	98.6	Very high	92.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.4	171.9	-63.7	180	0	0	0	109.4	I815 P817 F870 L881 F883 L902 T904 V905 E906	I815-L835 HydrophobicContact CG2-CB 4.3Å; P817-L835 HydrophobicContact CB-CD2 4.05Å; L835-F870 HydrophobicContact CD1-CD1 4.06Å; L835-F870 HydrophobicContact CD1-CE1 3.92Å; L835-F870 HydrophobicContact CD1-CE2 4.45Å; L835-F870 HydrophobicContact CD1-CG 4.39Å; L835-F870 HydrophobicContact CD1-CZ 4.12Å; L835-F870 HydrophobicContact CD2-CD2 4.32Å; L835-F870 HydrophobicContact CD2-CE2 3.8Å; L835-F870 HydrophobicContact CD2-CZ 3.94Å; L835-L881 HydrophobicContact CD1-CD2 4.03Å; L835-F883 HydrophobicContact CD1-CE1 3.8Å; L835-F883 HydrophobicContact CD1-CZ 4Å; L835-L902 HydrophobicContact CD1-CD1 4.41Å; L835-L902 HydrophobicContact CD1-CD2 3.77Å; L835-L902 HydrophobicContact CG-CD1 3.88Å; L835-L902 HydrophobicContact CG-CD2 4.15Å; L835-T904 PolarHBondContact N-O 2.9Å; L835-V905 HydrophobicContact CB-CG2 4.49Å; L835-V905 WeakPolarHBondContact O-CA 2.99Å; L835-E906 PolarHBondContact O-N 3.48Å
836	L	98.6	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.5	171.5	179.8	65.5	0	0	0	109.6	Y711 V781 V810 I815 L816 E906 L908	Y711-L836 HydrophobicContact CE1-CD2 4.37Å; Y711-L836 WeakPolarHBondContact OH-CD2 3.37Å; V781-L836 HydrophobicContact CG1-CD2 4.09Å; V810-L836 HydrophobicContact CG2-CD2 4.36Å; I815-L836 CarbonylContact C-O 3.56Å; I815-L836 VanDerWaalsContact CA-O 3.25Å; I815-L836 WeakPolarHBondContact CA-O 3.31Å; L816-L836 HydrophobicContact CB-CB 4.44Å; L816-L836 PolarHBondContact N-O 3.34Å; L816-L836 PolarHBondContact O-N 3.09Å; L836-E906 CarbonylContact C-O 3.51Å; L836-E906 WeakPolarHBondContact CA-O 3.45Å; L836-E906 HydrophobicContact CD1-CB 4.1Å; L836-E906 HydrophobicContact CD1-CG 3.99Å; L836-E906 WeakPolarHBondContact CD1-OE1 3.46Å; L836-L908 HydrophobicContact CD1-CD1 3.86Å; L836-L908 HydrophobicContact CD1-CD2 3.93Å; L836-L908 HydrophobicContact CD1-CG 3.64Å; L836-L908 HydrophobicContact CD2-CD1 4.23Å; L836-L908 HydrophobicContact CG-CD1 4.36Å; L836-L908 HydrophobicContact CG-CG 4.49Å
837	I	98.3	Very high	92.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107	175.1	-52.8	177	0	0	0	108.1	I815 V839 Y872 L881 V905 E906 L907 L908 W965	I815-I837 HydrophobicContact CD1-CG1 4.49Å; I815-I837 HydrophobicContact CG1-CB 4.47Å; I815-I837 HydrophobicContact CG1-CG1 4.18Å; I815-I837 HydrophobicContact CG1-CG2 4.22Å; I815-I837 HydrophobicContact CG2-CG1 4.19Å; I837-V839 HydrophobicContact CG2-CG2 4Å; I837-V839 PolarHBondContact O-N 2.73Å; I837-Y872 HydrophobicContact CD1-CD2 4Å; I837-Y872 HydrophobicContact CD1-CG 4.12Å; I837-Y872 HydrophobicContact CG2-CD1 3.57Å; I837-Y872 HydrophobicContact CG2-CE1 4.19Å; I837-Y872 HydrophobicContact CG2-CG 3.73Å; I837-L881 HydrophobicContact CD1-CD1 3.97Å; I837-L881 HydrophobicContact CD1-CD2 4.14Å; I837-L881 HydrophobicContact CD1-CG 4.45Å; I837-V905 HydrophobicContact CD1-CG1 3.64Å; I837-V905 HydrophobicContact CG1-CG1 4.27Å; I837-E906 PolarHBondContact N-O 2.94Å; I837-L907 HydrophobicContact CB-CD2 4.36Å; I837-L907 HydrophobicContact CB-CG 4.06Å; I837-L907 HydrophobicContact CD1-CD1 4.47Å; I837-L907 HydrophobicContact CD1-CD2 4.1Å; I837-L907 HydrophobicContact CD1-CG 4.03Å; I837-L907 HydrophobicContact CG1-CG 4.45Å; I837-L907 HydrophobicContact CG2-CD2 4.37Å; I837-L907 WeakPolarHBondContact O-CA 3.49Å; I837-L908 PolarHBondContact O-N 2.63Å; I837-W965 HydrophobicContact CD1-CH2 4.39Å
838	A	97.7	Very high	92.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	104.8	170.4	0	0	0	0	0	108.6	Y779 V810 R811 G812 G813 Y814 S847	Y779-A838 HydrophobicContact CD2-CB 3.82Å; Y779-A838 HydrophobicContact CE2-CB 4.03Å; V810-A838 HydrophobicContact CG1-CB 3.65Å; R811-A838 WeakPolarHBondContact O-CB 3.5Å; G812-A838 CarbonylContact C-O 3.55Å; G812-A838 WeakPolarHBondContact CA-O 3.4Å; G813-A838 PolarHBondContact N-O 3.08Å; Y814-A838 PolarHBondContact N-O 3.42Å; Y814-A838 PolarHBondContact O-N 2.77Å; A838-S847 PolarHBondContact O-OG 2.81Å
839	V	95.5	Very high	92.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.204	C	C	.	.			trans	-77.9	134.2	-170.3	-174.9	0	0	0	0	111.3	Y779 I837 N841 Y872 L907 L908	Y779-V839 WeakPolarHBondContact CE2-O 3.33Å; Y779-V839 PolarHBondContact OH-O 2.66Å; I837-V839 HydrophobicContact CG2-CG2 4Å; I837-V839 PolarHBondContact O-N 2.73Å; V839-N841 WeakPolarHBondContact CG1-OD1 3.48Å; V839-Y872 HydrophobicContact CG1-CE1 4.21Å; V839-Y872 HydrophobicContact CG2-CD1 4.23Å; V839-Y872 HydrophobicContact CG2-CE1 3.72Å; V839-L907 HydrophobicContact CG2-CD2 4.35Å; V839-L908 WeakPolarHBondContact CB-O 3.39Å; V839-L908 VanDerWaalsContact CG2-O 3.32Å; V839-L908 WeakPolarHBondContact CG2-O 3.36Å; V839-L908 PolarHBondContact N-O 3.39Å
840	N	92.3	Very high	92.9	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.203	21%	0.213	C	C	.	.			trans	-92.6	93.9	167.5	-172.7	-4.5	0	0	0	111.5	N842 N843 G845	N840-N842 PolarHBondContact O-N 3.33Å; N840-N842 WeakPolarHBondContact OD1-CB 3.29Å; N840-N842 PolarHBondContact OD1-N 2.82Å; N840-N843 PolarHBondContact O-N 3.28Å; N840-N843 VanDerWaalsContact O-N 3.16Å; N840-G845 VanDerWaalsContact O-CA 3.22Å; N840-G845 WeakPolarHBondContact O-CA 3.43Å; N840-G845 PolarHBondContact O-N 3.15Å; N840-G845 VanDerWaalsContact O-N 3.11Å
841	N	84.9	Confident	93.1	Very high	51 Å²	51	34.4 Å²	34.4	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.7	179.6	-70.8	-4.9	0	0	0	114	I777 R790 V839 G909 E911	I777-N841 HydrophobicContact CD1-CB 4.34Å; R790-N841 PolarHBondContact NH2-ND2 3.43Å; V839-N841 WeakPolarHBondContact CG1-OD1 3.48Å; N841-G909 PolarHBondContact ND2-O 3.13Å; N841-G909 VanDerWaalsContact ND2-O 3.07Å; N841-E911 WeakPolarHBondContact ND2-CG 3.49Å; N841-E911 PolarHBondContact ND2-OE1 3.18Å
842	N	82.9	Confident	93.1	Very high	131 Å²	131	31.6 Å²	31.6	70%	0.701	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.9	175.5	-62.9	-8.3	0	0	0	112.6	N840	N840-N842 PolarHBondContact O-N 3.33Å; N840-N842 WeakPolarHBondContact OD1-CB 3.29Å; N840-N842 PolarHBondContact OD1-N 2.82Å
843	N	77.7	Confident	93.1	Very high	91 Å²	91	30.5 Å²	30.5	49%	0.487	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130	63.9	-177	-168.2	38.4	0	0	0	111.9	N840 G845 S846	N840-N843 PolarHBondContact O-N 3.28Å; N840-N843 VanDerWaalsContact O-N 3.16Å; N843-G845 PolarHBondContact O-N 3.13Å; N843-S846 PolarHBondContact ND2-OG 3Å; N843-S846 PolarHBondContact O-N 2.96Å; N843-S846 PolarHBondContact O-OG 3.28Å
844	N	75.1	Confident	92.9	Very high	140 Å²	140	30.5 Å²	30.5	75%	0.749	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	20.9	-179.3	-64.4	-15.8	0	0	0	115.2	S846	N844-S846 VanDerWaalsContact C-N 3.29Å; N844-S846 PolarHBondContact O-N 3.1Å
845	G	81.1	Confident	92.6	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	18.7	-176.4	0	0	0	0	0	114.6	N840 N843 Y872	N840-G845 VanDerWaalsContact O-CA 3.22Å; N840-G845 WeakPolarHBondContact O-CA 3.43Å; N840-G845 PolarHBondContact O-N 3.15Å; N840-G845 VanDerWaalsContact O-N 3.11Å; N843-G845 PolarHBondContact O-N 3.13Å; G845-Y872 VanDerWaalsContact O-CD1 3.26Å; G845-Y872 WeakPolarHBondContact O-CD1 3.26Å; G845-Y872 WeakPolarHBondContact O-CE1 3.42Å
846	S	92	Very high	92.3	Very high	26 Å²	26	32.6 Å²	32.6	18%	0.182	17%	0.174	C	C	.	.			trans	-73.9	138.5	-177.1	70.8	0	0	0	0	112.6	N843 N844 Y872	N843-S846 PolarHBondContact ND2-OG 3Å; N843-S846 PolarHBondContact O-N 2.96Å; N843-S846 PolarHBondContact O-OG 3.28Å; N844-S846 VanDerWaalsContact C-N 3.29Å; N844-S846 PolarHBondContact O-N 3.1Å; S846-Y872 VanDerWaalsContact CA-O 3.27Å; S846-Y872 WeakPolarHBondContact CA-O 3.31Å
847	S	97.4	Very high	92	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.5	167.1	-57.6	0	0	0	0	111.8	G813 A838 Y872	G813-S847 CarbonylContact O-C 3.56Å; G813-S847 VanDerWaalsContact O-CA 3.22Å; G813-S847 WeakPolarHBondContact O-CA 3.23Å; A838-S847 PolarHBondContact O-OG 2.81Å; S847-Y872 PolarHBondContact N-O 3.14Å; S847-Y872 PolarHBondContact O-N 3.34Å
848	V	97.9	Very high	91.6	Very high	57 Å²	57	37.3 Å²	37.3	35%	0.345	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151	178.6	-64	0	0	0	0	111.5	G813 Y814 I815 F870	G813-V848 PolarHBondContact O-N 3.47Å; Y814-V848 CarbonylContact C-O 3.54Å; Y814-V848 WeakPolarHBondContact CA-O 3.4Å; I815-V848 PolarHBondContact N-O 3.3Å; V848-F870 WeakPolarHBondContact CA-O 3.43Å
849	G	98.4	Very high	91.2	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	175.4	172.9	0	0	0	0	0	112.7	I815 F870	I815-G849 WeakPolarHBondContact O-CA 3.32Å; G849-F870 PolarHBondContact N-O 2.97Å; G849-F870 PolarHBondContact O-N 2.77Å
850	Y	98.5	Very high	90.7	Very high	75 Å²	75	44.9 Å²	44.9	29%	0.294	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.7	-170.5	-52.2	-82.8	0	0	0	110.5	K721 P817 F867 F868 E869	K721-Y850 HydrophobicContact CD-CD2 4.31Å; P817-Y850 WeakPolarHBondContact CD-O 3.46Å; P817-Y850 WeakPolarHBondContact CG-O 3.42Å; Y850-F867 AromaticContact CD1-CE1 4Å; Y850-F867 HydrophobicContact CD1-CE1 4Å; Y850-F867 HydrophobicContact CD1-CE2 4.45Å; Y850-F867 AromaticContact CD1-CZ 3.54Å; Y850-F867 HydrophobicContact CD1-CZ 3.54Å; Y850-F867 HydrophobicContact CE1-CZ 4.33Å; Y850-F867 HydrophobicContact CG-CZ 4.08Å; Y850-F868 CarbonylContact C-O 3.6Å; Y850-F868 VanDerWaalsContact CA-O 3.22Å; Y850-F868 WeakPolarHBondContact CA-O 3.43Å; Y850-E869 HydrophobicContact CD1-CB 4.04Å; Y850-E869 HydrophobicContact CD1-CG 4.2Å; Y850-E869 HydrophobicContact CE1-CB 4.08Å; Y850-E869 HydrophobicContact CE1-CG 3.79Å
851	L	98.4	Very high	90.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.2	167.7	168.3	64.8	0	0	0	108.8	P713 P817 F833 F867 F868 F870 W952	P713-L851 HydrophobicContact CB-CD1 4.18Å; P817-L851 HydrophobicContact CB-CB 4.15Å; P817-L851 HydrophobicContact CB-CD1 3.9Å; P817-L851 HydrophobicContact CB-CD2 4.48Å; P817-L851 HydrophobicContact CB-CG 4.4Å; P817-L851 HydrophobicContact CG-CB 4.13Å; P817-L851 HydrophobicContact CG-CD1 3.98Å; F833-L851 HydrophobicContact CD1-CD2 4.23Å; F833-L851 HydrophobicContact CE1-CD1 3.87Å; F833-L851 HydrophobicContact CE1-CD2 3.78Å; F833-L851 HydrophobicContact CE2-CD2 4.46Å; F833-L851 HydrophobicContact CZ-CD1 4.15Å; F833-L851 HydrophobicContact CZ-CD2 3.89Å; L851-F867 WeakPolarHBondContact O-CA 3.29Å; L851-F868 HydrophobicContact CB-CB 4.25Å; L851-F868 HydrophobicContact CD2-CD2 4.24Å; L851-F868 HydrophobicContact CG-CD2 4.48Å; L851-F868 PolarHBondContact N-O 3.26Å; L851-F868 PolarHBondContact O-N 2.72Å; L851-F870 HydrophobicContact CB-CE2 3.64Å; L851-F870 HydrophobicContact CB-CZ 3.88Å; L851-F870 HydrophobicContact CD2-CZ 4.38Å; L851-W952 HydrophobicContact CD2-CH2 4.03Å; L851-W952 HydrophobicContact CD2-CZ3 4.29Å
852	Y	97.3	Very high	90.2	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.9	165.5	176.5	-103.7	0	0	0	110.3	I327 Y716 T717 Y720 D854 P861 F867	I327-Y852 HydrophobicContact CD1-CD1 4.13Å; I327-Y852 HydrophobicContact CD1-CE1 3.56Å; Y716-Y852 AromaticContact CD1-CD1 3.98Å; Y716-Y852 HydrophobicContact CD1-CD1 3.98Å; Y716-Y852 AromaticContact CE1-CD1 3.58Å; Y716-Y852 HydrophobicContact CE1-CD1 3.58Å; Y716-Y852 AromaticContact CE1-CE1 3.7Å; Y716-Y852 HydrophobicContact CE1-CE1 3.7Å; T717-Y852 PolarHBondContact OG1-N 3.37Å; Y720-Y852 AromaticContact CD1-CD2 3.74Å; Y720-Y852 HydrophobicContact CD1-CD2 3.74Å; Y720-Y852 HydrophobicContact CD1-CE2 4.5Å; Y720-Y852 AromaticContact CD1-CG 3.75Å; Y720-Y852 HydrophobicContact CD1-CG 3.75Å; Y720-Y852 AromaticContact CD2-CD1 3.77Å; Y720-Y852 HydrophobicContact CD2-CD1 3.77Å; Y720-Y852 AromaticContact CD2-CD2 3.32Å; Y720-Y852 HydrophobicContact CD2-CD2 3.32Å; Y720-Y852 AromaticContact CD2-CE1 3.75Å; Y720-Y852 HydrophobicContact CD2-CE1 3.75Å; Y720-Y852 AromaticContact CD2-CE2 3.28Å; Y720-Y852 HydrophobicContact CD2-CE2 3.28Å; Y720-Y852 AromaticContact CD2-CG 3.55Å; Y720-Y852 HydrophobicContact CD2-CG 3.55Å; Y720-Y852 AromaticContact CD2-CZ 3.5Å; Y720-Y852 VanDerWaalsContact CD2-CZ 3.5Å; Y720-Y852 AromaticContact CE1-CD2 3.84Å; Y720-Y852 HydrophobicContact CE1-CD2 3.84Å; Y720-Y852 HydrophobicContact CE1-CE2 4.45Å; Y720-Y852 HydrophobicContact CE1-CG 4.33Å; Y720-Y852 AromaticContact CE2-CD2 3.41Å; Y720-Y852 HydrophobicContact CE2-CD2 3.41Å; Y720-Y852 VanDerWaalsContact CE2-CD2 3.41Å; Y720-Y852 HydrophobicContact CE2-CE1 4.48Å; Y720-Y852 AromaticContact CE2-CE2 3.2Å; Y720-Y852 HydrophobicContact CE2-CE2 3.2Å; Y720-Y852 HydrophobicContact CE2-CG 4.14Å; Y720-Y852 AromaticContact CE2-CZ 3.79Å; Y720-Y852 AromaticContact CG-CD1 3.7Å; Y720-Y852 HydrophobicContact CG-CD1 3.7Å; Y720-Y852 AromaticContact CG-CD2 3.47Å; Y720-Y852 HydrophobicContact CG-CD2 3.47Å; Y720-Y852 VanDerWaalsContact CG-CD2 3.47Å; Y720-Y852 HydrophobicContact CG-CE1 4.17Å; Y720-Y852 AromaticContact CG-CE2 3.95Å; Y720-Y852 HydrophobicContact CG-CE2 3.95Å; Y720-Y852 AromaticContact CG-CG 3.31Å; Y720-Y852 HydrophobicContact CG-CG 3.31Å; Y720-Y852 AromaticContact CZ-CD2 3.67Å; Y720-Y852 AromaticContact CZ-CE2 3.84Å; Y852-D854 HydrophobicContact CE1-CB 4.09Å; Y852-D854 WeakPolarHBondContact CE1-OD2 3.4Å; Y852-D854 WeakPolarHBondContact OH-CB 3.11Å; Y852-D854 PolarHBondContact OH-OD2 3.28Å; Y852-P861 WeakPolarHBondContact OH-CB 3.18Å; Y852-P861 WeakPolarHBondContact OH-CG 3.38Å; Y852-F867 HydrophobicContact CD2-CD2 4.4Å
853	W	95.7	Very high	90.2	Very high	6 Å²	6	40.1 Å²	40.1	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	116.2	179.5	-173.9	-97.4	0	0	0	111.5	R829 F833 S865 Y866 R898 L899 P900	R829-W853 HydrophobicContact CB-CH2 3.98Å; R829-W853 HydrophobicContact CG-CH2 3.96Å; R829-W853 HydrophobicContact CG-CZ3 4.38Å; R829-W853 VanDerWaalsContact NH2-CZ2 3.26Å; F833-W853 HydrophobicContact CE2-CE3 4.25Å; F833-W853 HydrophobicContact CE2-CH2 4.37Å; F833-W853 HydrophobicContact CE2-CZ3 4.16Å; F833-W853 HydrophobicContact CZ-CD2 4.23Å; F833-W853 AromaticContact CZ-CE3 3.59Å; F833-W853 HydrophobicContact CZ-CE3 3.59Å; F833-W853 HydrophobicContact CZ-CH2 4.2Å; F833-W853 AromaticContact CZ-CZ3 3.55Å; F833-W853 HydrophobicContact CZ-CZ3 3.55Å; W853-S865 CarbonylContact O-C 3.59Å; W853-S865 VanDerWaalsContact O-CA 3.25Å; W853-S865 WeakPolarHBondContact O-CA 3.28Å; W853-Y866 AromaticContact CD1-CD2 3.93Å; W853-Y866 PolarHBondContact N-O 3.27Å; W853-Y866 PolarHBondContact O-N 2.69Å; W853-R898 PolarHBondContact NE1-O 2.77Å; W853-L899 HydrophobicContact CB-CD1 4.29Å; W853-L899 HydrophobicContact CD2-CD1 4.12Å; W853-L899 HydrophobicContact CG-CD1 3.78Å; W853-P900 HydrophobicContact CH2-CG 4.39Å; W853-P900 HydrophobicContact CZ2-CG 4.24Å
854	D	94.8	Very high	90.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-166.9	166.1	63.6	3.8	0	0	0	109.5	R595 Y716 R829 Y852 G856 P861 C864 L897	R595-D854 IonicContact CZ-OD2 2.67Å; R595-D854 IonicContact NH1-OD2 3.31Å; R595-D854 IonicContact NH2-OD2 2.84Å; R595-D854 PolarHBondContact NH2-OD2 3.27Å; Y716-D854 VanDerWaalsContact CE1-OD1 3.31Å; Y716-D854 WeakPolarHBondContact CE1-OD1 3.38Å; Y716-D854 PolarHBondContact OH-OD1 2.89Å; Y716-D854 PolarHBondContact OH-OD2 2.75Å; R829-D854 PolarHBondContact NH2-O 3.1Å; Y852-D854 HydrophobicContact CE1-CB 4.09Å; Y852-D854 WeakPolarHBondContact CE1-OD2 3.4Å; Y852-D854 WeakPolarHBondContact OH-CB 3.11Å; Y852-D854 PolarHBondContact OH-OD2 3.28Å; D854-G856 PolarHBondContact O-N 3.35Å; D854-G856 WeakPolarHBondContact OD1-CA 3.27Å; D854-G856 PolarHBondContact OD1-N 3.26Å; D854-P861 HydrophobicContact CB-CB 3.79Å; D854-P861 WeakPolarHBondContact OD2-CB 3.45Å; D854-P861 WeakPolarHBondContact OD2-CG 3.15Å; D854-C864 WeakPolarHBondContact CB-O 3.46Å; D854-L897 WeakPolarHBondContact O-CD1 3.26Å
855	D	91.3	Very high	91.6	Very high	52 Å²	52	30 Å²	30	28%	0.278	17%	0.167	S	C	.	.			trans	-71.3	-16.9	177.2	77	-40.9	0	0	0	113.3	E857 M858 L897	D855-E857 VanDerWaalsContact C-N 3.27Å; D855-E857 PolarHBondContact O-N 2.59Å; D855-E857 PolarHBondContact OD1-N 3.07Å; D855-E857 PolarHBondContact OD2-N 2.87Å; D855-M858 HydrophobicContact CB-CE 3.68Å; D855-M858 VanDerWaalsContact CG-N 3.27Å; D855-M858 WeakPolarHBondContact OD1-CB 3.37Å; D855-M858 WeakPolarHBondContact OD1-CE 3.46Å; D855-M858 PolarHBondContact OD1-N 3.07Å; D855-M858 WeakPolarHBondContact OD2-CG 3.5Å; D855-M858 PolarHBondContact OD2-N 3.05Å; D855-L897 HydrophobicContact CB-CD1 4.48Å
856	G	93.7	Very high	92.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	79.7	-1.2	-177.7	0	0	0	0	0	115	A329 Y330 D854	A329-G856 WeakPolarHBondContact CA-O 3.27Å; Y330-G856 PolarHBondContact N-O 3.07Å; D854-G856 PolarHBondContact O-N 3.35Å; D854-G856 WeakPolarHBondContact OD1-CA 3.27Å; D854-G856 PolarHBondContact OD1-N 3.26Å
857	E	91.9	Very high	92.4	Very high	59 Å²	59	32.8 Å²	32.8	28%	0.276	17%	0.174	S	C	.	.			trans	-135.6	-20.9	-170.4	-67.4	-169.7	-151.3	0	0	114.4	R402 S594 R595 D855	R402-E857 IonicContact CZ-OE1 2.76Å; R402-E857 IonicContact CZ-OE2 3.5Å; R402-E857 IonicContact NH1-OE2 3.9Å; R402-E857 IonicContact NH2-OE1 2.82Å; R402-E857 PolarHBondContact NH2-OE1 3.04Å; R402-E857 IonicContact NH2-OE2 2.95Å; R402-E857 PolarHBondContact NH2-OE2 2.79Å; S594-E857 CarbonylContact C-O 3.52Å; S594-E857 WeakPolarHBondContact CA-O 3.48Å; S594-E857 WeakPolarHBondContact CB-O 3.26Å; R595-E857 WeakPolarHBondContact CB-O 3.28Å; R595-E857 PolarHBondContact N-O 2.71Å; D855-E857 VanDerWaalsContact C-N 3.27Å; D855-E857 PolarHBondContact O-N 2.59Å; D855-E857 PolarHBondContact OD1-N 3.07Å; D855-E857 PolarHBondContact OD2-N 2.87Å
858	M	90.1	Very high	92.4	Very high	41 Å²	41	32.8 Å²	32.8	20%	0.202	17%	0.174	C	C	.	.			trans	-66.6	135.9	176.8	-87.7	179.1	-75.8	0	0	111.3	R595 D855 D860 C864	R595-M858 PolarHBondContact NE-O 2.98Å; R595-M858 PolarHBondContact NH2-O 2.95Å; D855-M858 HydrophobicContact CB-CE 3.68Å; D855-M858 VanDerWaalsContact CG-N 3.27Å; D855-M858 WeakPolarHBondContact OD1-CB 3.37Å; D855-M858 WeakPolarHBondContact OD1-CE 3.46Å; D855-M858 PolarHBondContact OD1-N 3.07Å; D855-M858 WeakPolarHBondContact OD2-CG 3.5Å; D855-M858 PolarHBondContact OD2-N 3.05Å; M858-D860 VanDerWaalsContact C-N 3.27Å; M858-D860 PolarHBondContact O-N 3.45Å; M858-C864 HydrophobicContact CE-CB 3.52Å; M858-C864 VanDerWaalsContact CE-SG 3.55Å; M858-C864 HydrophobicContact SD-CB 4.27Å
859	T	89.1	Confident	92.4	Very high	61 Å²	61	33.2 Å²	33.2	37%	0.374	17%	0.172	S	C	.	.	S	Bend	trans	-57.9	-40.4	176.7	-47.6	0	0	0	0	112.4	R589 S594 R595	R589-T859 HydrophobicContact CG-CG2 4.26Å; S594-T859 PolarHBondContact O-OG1 2.99Å; S594-T859 VanDerWaalsContact O-OG1 3.07Å; R595-T859 PolarHBondContact N-OG1 3.15Å
860	D	85.4	Confident	92.4	Very high	100 Å²	100	33.1 Å²	33.1	54%	0.535	17%	0.171	S	C	.	.			trans	-125.5	103.5	172.4	177.1	10.9	0	0	0	109.7	M858 S862	M858-D860 VanDerWaalsContact C-N 3.27Å; M858-D860 PolarHBondContact O-N 3.45Å; D860-S862 VanDerWaalsContact C-N 3.31Å; D860-S862 WeakPolarHBondContact OD1-CB 3.47Å; D860-S862 PolarHBondContact OD1-N 2.81Å; D860-S862 PolarHBondContact OD1-OG 3.37Å; D860-S862 PolarHBondContact OD2-OG 2.63Å
861	P	83.9	Confident	92.4	Very high	13 Å²	13	31.5 Å²	31.5	8%	0.084	17%	0.169	C	C	.	.			trans	-85.8	3.4	178.6	36.2	-36.8	0	0	0	113.6	Y852 D854 N863 C864	Y852-P861 WeakPolarHBondContact OH-CB 3.18Å; Y852-P861 WeakPolarHBondContact OH-CG 3.38Å; D854-P861 HydrophobicContact CB-CB 3.79Å; D854-P861 WeakPolarHBondContact OD2-CB 3.45Å; D854-P861 WeakPolarHBondContact OD2-CG 3.15Å; P861-N863 PolarHBondContact O-N 2.77Å; P861-C864 CarbonylContact O-C 3.5Å; P861-C864 PolarHBondContact O-N 3.4Å
862	S	81.9	Confident	92.3	Very high	60 Å²	60	31.6 Å²	31.6	42%	0.42	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.4	-173.6	63.3	0	0	0	0	114.3	D860 A888	D860-S862 VanDerWaalsContact C-N 3.31Å; D860-S862 WeakPolarHBondContact OD1-CB 3.47Å; D860-S862 PolarHBondContact OD1-N 2.81Å; D860-S862 PolarHBondContact OD1-OG 3.37Å; D860-S862 PolarHBondContact OD2-OG 2.63Å; S862-A888 VanDerWaalsContact O-CB 3.28Å; S862-A888 WeakPolarHBondContact O-CB 3.27Å
863	N	83.7	Confident	92.2	Very high	47 Å²	47	34.7 Å²	34.7	25%	0.251	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	4.9	179.1	-68.4	-60.1	0	0	0	114.2	P861 A888 A890 K891 E892	P861-N863 PolarHBondContact O-N 2.77Å; N863-A888 VanDerWaalsContact C-CB 3.5Å; N863-A890 WeakPolarHBondContact O-CA 3.31Å; N863-A890 PolarHBondContact O-N 2.85Å; N863-K891 HydrophobicContact CB-CB 4.47Å; N863-E892 HydrophobicContact CB-CB 4.49Å
864	C	88.8	Confident	92	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.02	20%	0.199	C	C	.	.	S	Bend	trans	-148.8	69.1	-177.5	-168.8	0	0	0	0	112.6	D854 M858 P861 C895	D854-C864 WeakPolarHBondContact CB-O 3.46Å; M858-C864 HydrophobicContact CE-CB 3.52Å; M858-C864 VanDerWaalsContact CE-SG 3.55Å; M858-C864 HydrophobicContact SD-CB 4.27Å; P861-C864 CarbonylContact O-C 3.5Å; P861-C864 PolarHBondContact O-N 3.4Å; C864-C895 VanDerWaalsContact CA-SG 3.57Å; C864-C895 HydrophobicContact CB-CB 3.72Å; C864-C895 WeakPolarHBondContact CB-SG 3.19Å; C864-C895 WeakPolarHBondContact SG-CA 3.38Å; C864-C895 WeakPolarHBondContact SG-CB 3.05Å; C864-C895 CovalentContact SG-SG 2.03Å; C864-C895 PolarHBondContact SG-SG 3.18Å
865	S	93.5	Very high	91.7	Very high	17 Å²	17	41.8 Å²	41.8	12%	0.119	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.4	178.6	64.2	0	0	0	0	113.1	W853 A888	W853-S865 CarbonylContact O-C 3.59Å; W853-S865 VanDerWaalsContact O-CA 3.25Å; W853-S865 WeakPolarHBondContact O-CA 3.28Å; S865-A888 PolarHBondContact O-N 2.87Å
866	Y	93.9	Very high	91.4	Very high	47 Å²	47	46.5 Å²	46.5	18%	0.184	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.9	168	-57.4	-53.9	0	0	0	109.1	W853 L885 K887 L897 L899	W853-Y866 AromaticContact CD1-CD2 3.93Å; W853-Y866 PolarHBondContact N-O 3.27Å; W853-Y866 PolarHBondContact O-N 2.69Å; Y866-L885 HydrophobicContact CD1-CD1 4.22Å; Y866-L885 HydrophobicContact CG-CD1 4.48Å; Y866-K887 HydrophobicContact CD1-CB 4.18Å; Y866-K887 HydrophobicContact CD1-CD 4.2Å; Y866-K887 HydrophobicContact CD1-CG 3.81Å; Y866-K887 HydrophobicContact CE1-CB 4.35Å; Y866-K887 HydrophobicContact CE1-CD 3.79Å; Y866-K887 HydrophobicContact CE1-CG 3.93Å; Y866-L897 HydrophobicContact CD2-CD2 3.52Å; Y866-L897 HydrophobicContact CD2-CG 4.16Å; Y866-L897 HydrophobicContact CE2-CB 4.38Å; Y866-L897 HydrophobicContact CE2-CD2 3.42Å; Y866-L897 VanDerWaalsContact CE2-CD2 3.42Å; Y866-L897 HydrophobicContact CE2-CG 3.73Å; Y866-L897 HydrophobicContact CG-CD2 4.21Å; Y866-L899 HydrophobicContact CD2-CB 4.21Å; Y866-L899 HydrophobicContact CD2-CD1 4.48Å; Y866-L899 HydrophobicContact CD2-CD2 4.22Å; Y866-L899 HydrophobicContact CE2-CB 4.01Å
867	F	95.4	Very high	91.1	Very high	40 Å²	40	49.9 Å²	49.9	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116	169.1	-175.6	-100.9	0	0	0	108.8	Y720 Y850 L851 Y852 T886	Y720-F867 AromaticContact CD1-CD2 3.98Å; Y720-F867 HydrophobicContact CD1-CD2 3.98Å; Y720-F867 AromaticContact CD1-CE2 3.91Å; Y720-F867 HydrophobicContact CD1-CE2 3.91Å; Y720-F867 AromaticContact CE1-CD2 3.47Å; Y720-F867 HydrophobicContact CE1-CD2 3.47Å; Y720-F867 VanDerWaalsContact CE1-CD2 3.47Å; Y720-F867 AromaticContact CE1-CE2 3.59Å; Y720-F867 HydrophobicContact CE1-CE2 3.59Å; Y720-F867 HydrophobicContact CE1-CG 4.36Å; Y850-F867 AromaticContact CD1-CE1 4Å; Y850-F867 HydrophobicContact CD1-CE1 4Å; Y850-F867 HydrophobicContact CD1-CE2 4.45Å; Y850-F867 AromaticContact CD1-CZ 3.54Å; Y850-F867 HydrophobicContact CD1-CZ 3.54Å; Y850-F867 HydrophobicContact CE1-CZ 4.33Å; Y850-F867 HydrophobicContact CG-CZ 4.08Å; L851-F867 WeakPolarHBondContact O-CA 3.29Å; Y852-F867 HydrophobicContact CD2-CD2 4.4Å; F867-T886 PolarHBondContact N-O 3.34Å; F867-T886 PolarHBondContact O-N 2.95Å
868	F	97.6	Very high	91.1	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.1	174.4	-68.5	-92.7	0	0	0	110.1	Y850 L851 F870 N884 L885 L899 W952 M955	Y850-F868 CarbonylContact C-O 3.6Å; Y850-F868 VanDerWaalsContact CA-O 3.22Å; Y850-F868 WeakPolarHBondContact CA-O 3.43Å; L851-F868 HydrophobicContact CB-CB 4.25Å; L851-F868 HydrophobicContact CD2-CD2 4.24Å; L851-F868 HydrophobicContact CG-CD2 4.48Å; L851-F868 PolarHBondContact N-O 3.26Å; L851-F868 PolarHBondContact O-N 2.72Å; F868-F870 HydrophobicContact CB-CD1 4.45Å; F868-F870 HydrophobicContact CB-CE1 3.68Å; F868-F870 HydrophobicContact CB-CE2 4.06Å; F868-F870 HydrophobicContact CB-CZ 3.45Å; F868-F870 VanDerWaalsContact CB-CZ 3.45Å; F868-F870 HydrophobicContact CD1-CE1 4.16Å; F868-F870 HydrophobicContact CD1-CZ 4.5Å; F868-F870 HydrophobicContact CG-CE1 4.12Å; F868-F870 HydrophobicContact CG-CZ 4.03Å; F868-N884 WeakPolarHBondContact CA-O 3.32Å; F868-L885 HydrophobicContact CD1-CB 4.23Å; F868-L885 HydrophobicContact CD1-CD1 4.05Å; F868-L885 HydrophobicContact CD2-CD1 4.14Å; F868-L885 HydrophobicContact CE1-CB 4.07Å; F868-L885 HydrophobicContact CE1-CD1 3.77Å; F868-L885 HydrophobicContact CE1-CD2 4.15Å; F868-L885 HydrophobicContact CE1-CG 4.21Å; F868-L885 HydrophobicContact CE2-CD1 3.85Å; F868-L885 HydrophobicContact CG-CD1 4.23Å; F868-L885 HydrophobicContact CZ-CD1 3.67Å; F868-L885 HydrophobicContact CZ-CD2 4.17Å; F868-L885 HydrophobicContact CZ-CG 4.41Å; F868-L899 HydrophobicContact CE2-CD2 3.8Å; F868-L899 HydrophobicContact CZ-CD2 3.79Å; F868-W952 HydrophobicContact CE1-CB 4.49Å; F868-W952 HydrophobicContact CE1-CE3 4.18Å; F868-W952 HydrophobicContact CZ-CD2 4.46Å; F868-W952 HydrophobicContact CZ-CE3 4.23Å; F868-M955 HydrophobicContact CE1-SD 4.34Å
869	E	98.1	Very high	91.3	Very high	67 Å²	67	47.5 Å²	47.5	31%	0.313	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.4	161.2	172.6	-173.7	-161.6	0	0	108.3	Y850 N884	Y850-E869 HydrophobicContact CD1-CB 4.04Å; Y850-E869 HydrophobicContact CD1-CG 4.2Å; Y850-E869 HydrophobicContact CE1-CB 4.08Å; Y850-E869 HydrophobicContact CE1-CG 3.79Å; E869-N884 HydrophobicContact CB-CB 4.21Å; E869-N884 PolarHBondContact N-O 2.65Å; E869-N884 PolarHBondContact O-N 2.98Å; E869-N884 PolarHBondContact OE2-ND2 3.07Å
870	F	98.3	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.6	178	-50.9	-65.6	0	0	0	109.8	I815 L835 V848 G849 L851 F868 L881 T882 F883 W952	I815-F870 HydrophobicContact CB-CB 4.47Å; I815-F870 HydrophobicContact CD1-CB 3.69Å; I815-F870 HydrophobicContact CG2-CB 4.28Å; I815-F870 HydrophobicContact CG2-CD2 4.29Å; L835-F870 HydrophobicContact CD1-CD1 4.06Å; L835-F870 HydrophobicContact CD1-CE1 3.92Å; L835-F870 HydrophobicContact CD1-CE2 4.45Å; L835-F870 HydrophobicContact CD1-CG 4.39Å; L835-F870 HydrophobicContact CD1-CZ 4.12Å; L835-F870 HydrophobicContact CD2-CD2 4.32Å; L835-F870 HydrophobicContact CD2-CE2 3.8Å; L835-F870 HydrophobicContact CD2-CZ 3.94Å; V848-F870 WeakPolarHBondContact CA-O 3.43Å; G849-F870 PolarHBondContact N-O 2.97Å; G849-F870 PolarHBondContact O-N 2.77Å; L851-F870 HydrophobicContact CB-CE2 3.64Å; L851-F870 HydrophobicContact CB-CZ 3.88Å; L851-F870 HydrophobicContact CD2-CZ 4.38Å; F868-F870 HydrophobicContact CB-CD1 4.45Å; F868-F870 HydrophobicContact CB-CE1 3.68Å; F868-F870 HydrophobicContact CB-CE2 4.06Å; F868-F870 HydrophobicContact CB-CZ 3.45Å; F868-F870 VanDerWaalsContact CB-CZ 3.45Å; F868-F870 HydrophobicContact CD1-CE1 4.16Å; F868-F870 HydrophobicContact CD1-CZ 4.5Å; F868-F870 HydrophobicContact CG-CE1 4.12Å; F868-F870 HydrophobicContact CG-CZ 4.03Å; F870-L881 HydrophobicContact CB-CD1 4.23Å; F870-T882 VanDerWaalsContact CA-O 3.3Å; F870-T882 WeakPolarHBondContact CA-O 3.31Å; F870-F883 AromaticContact CD1-CD1 3.65Å; F870-F883 HydrophobicContact CD1-CD1 3.65Å; F870-F883 AromaticContact CD1-CE1 3.91Å; F870-F883 HydrophobicContact CD1-CE1 3.91Å; F870-F883 HydrophobicContact CD1-CG 4.17Å; F870-F883 AromaticContact CE1-CD1 3.42Å; F870-F883 HydrophobicContact CE1-CD1 3.42Å; F870-F883 VanDerWaalsContact CE1-CD1 3.42Å; F870-F883 AromaticContact CE1-CE1 3.65Å; F870-F883 HydrophobicContact CE1-CE1 3.65Å; F870-F883 HydrophobicContact CE1-CG 4.33Å; F870-W952 HydrophobicContact CE1-CZ3 4.35Å; F870-W952 HydrophobicContact CZ-CZ3 4.21Å
871	T	97.7	Very high	92.1	Very high	42 Å²	42	40.9 Å²	40.9	26%	0.258	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.4	172	-62.7	0	0	0	0	109.9	L873 L881 T882	T871-L873 HydrophobicContact CG2-CD1 4.41Å; T871-L873 HydrophobicContact CG2-CG 4.22Å; T871-L881 WeakPolarHBondContact O-CA 3.01Å; T871-T882 PolarHBondContact N-O 2.8Å; T871-T882 PolarHBondContact O-N 2.8Å
872	Y	96.9	Very high	92.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.1	174.5	177.5	-109.5	0	0	0	110.9	I837 V839 G845 S846 S847 V874 S880 L881 L907 W965	I837-Y872 HydrophobicContact CD1-CD2 4Å; I837-Y872 HydrophobicContact CD1-CG 4.12Å; I837-Y872 HydrophobicContact CG2-CD1 3.57Å; I837-Y872 HydrophobicContact CG2-CE1 4.19Å; I837-Y872 HydrophobicContact CG2-CG 3.73Å; V839-Y872 HydrophobicContact CG1-CE1 4.21Å; V839-Y872 HydrophobicContact CG2-CD1 4.23Å; V839-Y872 HydrophobicContact CG2-CE1 3.72Å; G845-Y872 VanDerWaalsContact O-CD1 3.26Å; G845-Y872 WeakPolarHBondContact O-CD1 3.26Å; G845-Y872 WeakPolarHBondContact O-CE1 3.42Å; S846-Y872 VanDerWaalsContact CA-O 3.27Å; S846-Y872 WeakPolarHBondContact CA-O 3.31Å; S847-Y872 PolarHBondContact N-O 3.14Å; S847-Y872 PolarHBondContact O-N 3.34Å; Y872-V874 HydrophobicContact CE1-CG2 3.76Å; Y872-V874 WeakPolarHBondContact OH-CG2 3.35Å; Y872-S880 WeakPolarHBondContact CA-O 3.32Å; Y872-S880 WeakPolarHBondContact CD2-O 3.32Å; Y872-L881 HydrophobicContact CD2-CB 4.34Å; Y872-L907 HydrophobicContact CE1-CD2 4.02Å; Y872-L907 HydrophobicContact CE2-CD2 3.85Å; Y872-L907 WeakPolarHBondContact OH-CD2 3.23Å; Y872-W965 HydrophobicContact CD2-CH2 4.01Å; Y872-W965 HydrophobicContact CD2-CZ2 4.25Å; Y872-W965 AromaticContact CE2-CH2 3.54Å; Y872-W965 HydrophobicContact CE2-CH2 3.54Å; Y872-W965 AromaticContact CE2-CZ2 3.34Å; Y872-W965 HydrophobicContact CE2-CZ2 3.34Å; Y872-W965 AromaticContact CZ-CZ2 3.96Å
873	L	94.7	Very high	93.6	Very high	69 Å²	69	39 Å²	39	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.3	176.5	-66.7	170.9	0	0	0	111	T871 S880	T871-L873 HydrophobicContact CG2-CD1 4.41Å; T871-L873 HydrophobicContact CG2-CG 4.22Å; L873-S880 PolarHBondContact N-O 3.25Å; L873-S880 PolarHBondContact O-N 3.35Å
874	V	90.6	Very high	94.2	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.315	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.4	170.6	-177.2	0	0	0	0	109.9	Y872 E878 F967	Y872-V874 HydrophobicContact CE1-CG2 3.76Å; Y872-V874 WeakPolarHBondContact OH-CG2 3.35Å; V874-E878 VanDerWaalsContact CA-O 3.3Å; V874-E878 WeakPolarHBondContact CA-O 3.41Å; V874-F967 HydrophobicContact CG1-CD2 4.48Å; V874-F967 HydrophobicContact CG1-CE2 4.05Å; V874-F967 HydrophobicContact CG2-CE2 4.23Å
875	I	88.5	Confident	94.5	Very high	103 Å²	103	39.1 Å²	39.1	53%	0.528	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.8	178.3	-56.5	176.1	0	0	0	107.9	N877 E878	I875-N877 VanDerWaalsContact C-N 3.33Å; I875-N877 PolarHBondContact O-N 3.2Å; I875-N877 VanDerWaalsContact O-N 3.14Å; I875-E878 PolarHBondContact N-O 3.06Å; I875-E878 WeakPolarHBondContact O-CA 3.28Å; I875-E878 VanDerWaalsContact O-CB 3.32Å; I875-E878 WeakPolarHBondContact O-CB 3.21Å; I875-E878 PolarHBondContact O-N 3.24Å
876	D	86.5	Confident	94.5	Very high	151 Å²	151	41.5 Å²	41.5	81%	0.807	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	44.4	172.5	-61.8	-33.8	0	0	0	115.8	E878	D876-E878 PolarHBondContact O-N 3.18Å
877	N	86.9	Confident	94.3	Very high	73 Å²	73	41.6 Å²	41.6	39%	0.39	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	21.4	-174.3	-51.1	-61.5	0	0	0	114.8	I875 R912 F967	I875-N877 VanDerWaalsContact C-N 3.33Å; I875-N877 PolarHBondContact O-N 3.2Å; I875-N877 VanDerWaalsContact O-N 3.14Å; N877-R912 PolarHBondContact OD1-NH1 2.86Å; N877-F967 HydrophobicContact CB-CB 4.42Å; N877-F967 WeakPolarHBondContact O-CD2 3.46Å; N877-F967 PolarHBondContact O-N 3.24Å
878	E	91.4	Very high	93.8	Very high	50 Å²	50	40.5 Å²	40.5	23%	0.234	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.1	169.8	-171.6	-177.9	77.8	0	0	109.5	V874 I875 D876 R964 W965 H966	V874-E878 VanDerWaalsContact CA-O 3.3Å; V874-E878 WeakPolarHBondContact CA-O 3.41Å; I875-E878 PolarHBondContact N-O 3.06Å; I875-E878 WeakPolarHBondContact O-CA 3.28Å; I875-E878 VanDerWaalsContact O-CB 3.32Å; I875-E878 WeakPolarHBondContact O-CB 3.21Å; I875-E878 PolarHBondContact O-N 3.24Å; D876-E878 PolarHBondContact O-N 3.18Å; E878-R964 HydrophobicContact CG-CB 4.35Å; E878-R964 WeakPolarHBondContact OE1-CD 3.49Å; E878-R964 IonicContact OE1-NE 3.96Å; E878-W965 CarbonylContact C-O 3.6Å; E878-W965 WeakPolarHBondContact CA-O 3.48Å; E878-H966 IonicContact OE2-CE1 3.4Å; E878-H966 PolarHBondContact OE2-CE1 3.07Å; E878-H966 IonicContact OE2-ND1 3.07Å; E878-H966 IonicContact OE2-NE2 3.98Å; E878-H966 PolarHBondContact OE2-NE2 2.89Å
879	G	93.6	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.3	166.1	0	0	0	0	0	109.5	R964 W965	G879-R964 CarbonylContact O-C 3.29Å; G879-R964 VanDerWaalsContact O-CA 3.3Å; G879-R964 WeakPolarHBondContact O-CA 3.31Å; G879-W965 PolarHBondContact N-O 2.04Å; G879-W965 PolarHBondContact O-N 2.79Å
880	S	95.4	Very high	91	Very high	21 Å²	21	44.8 Å²	44.8	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	116.1	-177	177.1	0	0	0	0	110	Y872 L873 T962	Y872-S880 WeakPolarHBondContact CA-O 3.32Å; Y872-S880 WeakPolarHBondContact CD2-O 3.32Å; L873-S880 PolarHBondContact N-O 3.25Å; L873-S880 PolarHBondContact O-N 3.35Å; S880-T962 WeakPolarHBondContact OG-CG2 3.4Å
881	L	97.4	Very high	89.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.2	172.9	177.3	67.5	0	0	0	109.5	I815 L835 I837 F870 T871 Y872 F883 V905 T962 L963 W965	I815-L881 HydrophobicContact CD1-CD1 3.72Å; L835-L881 HydrophobicContact CD1-CD2 4.03Å; I837-L881 HydrophobicContact CD1-CD1 3.97Å; I837-L881 HydrophobicContact CD1-CD2 4.14Å; I837-L881 HydrophobicContact CD1-CG 4.45Å; F870-L881 HydrophobicContact CB-CD1 4.23Å; T871-L881 WeakPolarHBondContact O-CA 3.01Å; Y872-L881 HydrophobicContact CD2-CB 4.34Å; L881-F883 HydrophobicContact CB-CE2 4.27Å; L881-F883 HydrophobicContact CD2-CE1 4.47Å; L881-F883 HydrophobicContact CD2-CE2 3.55Å; L881-F883 HydrophobicContact CD2-CZ 3.43Å; L881-F883 VanDerWaalsContact CD2-CZ 3.43Å; L881-F883 HydrophobicContact CG-CD2 4.28Å; L881-F883 HydrophobicContact CG-CE2 3.55Å; L881-F883 HydrophobicContact CG-CZ 3.93Å; L881-F883 WeakPolarHBondContact O-CD2 3.38Å; L881-F883 WeakPolarHBondContact O-CE2 3.38Å; L881-V905 HydrophobicContact CD2-CG1 4.26Å; L881-V905 HydrophobicContact CD2-CG2 4.11Å; L881-T962 CarbonylContact O-C 3.07Å; L881-T962 WeakPolarHBondContact O-CA 3.14Å; L881-T962 WeakPolarHBondContact O-CG2 3.45Å; L881-L963 HydrophobicContact CB-CB 4.38Å; L881-L963 PolarHBondContact N-O 2.95Å; L881-L963 PolarHBondContact O-N 3.22Å; L881-W965 HydrophobicContact CB-CH2 4.24Å; L881-W965 HydrophobicContact CB-CZ3 4.16Å
882	T	97.8	Very high	87.5	Confident	35 Å²	35	53.2 Å²	53.2	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.5	179.5	-55.4	0	0	0	0	110.4	F870 T871 V960	F870-T882 VanDerWaalsContact CA-O 3.3Å; F870-T882 WeakPolarHBondContact CA-O 3.31Å; T871-T882 PolarHBondContact N-O 2.8Å; T871-T882 PolarHBondContact O-N 2.8Å; T882-V960 HydrophobicContact CG2-CG1 3.45Å; T882-V960 VanDerWaalsContact CG2-CG1 3.45Å
883	F	98.1	Very high	85.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.3	179.8	-63.5	-112.4	0	0	0	107.6	L835 F870 L881 L902 W921 W952 M955 V960 K961 L963	L835-F883 HydrophobicContact CD1-CE1 3.8Å; L835-F883 HydrophobicContact CD1-CZ 4Å; F870-F883 AromaticContact CD1-CD1 3.65Å; F870-F883 HydrophobicContact CD1-CD1 3.65Å; F870-F883 AromaticContact CD1-CE1 3.91Å; F870-F883 HydrophobicContact CD1-CE1 3.91Å; F870-F883 HydrophobicContact CD1-CG 4.17Å; F870-F883 AromaticContact CE1-CD1 3.42Å; F870-F883 HydrophobicContact CE1-CD1 3.42Å; F870-F883 VanDerWaalsContact CE1-CD1 3.42Å; F870-F883 AromaticContact CE1-CE1 3.65Å; F870-F883 HydrophobicContact CE1-CE1 3.65Å; F870-F883 HydrophobicContact CE1-CG 4.33Å; L881-F883 HydrophobicContact CB-CE2 4.27Å; L881-F883 HydrophobicContact CD2-CE1 4.47Å; L881-F883 HydrophobicContact CD2-CE2 3.55Å; L881-F883 HydrophobicContact CD2-CZ 3.43Å; L881-F883 VanDerWaalsContact CD2-CZ 3.43Å; L881-F883 HydrophobicContact CG-CD2 4.28Å; L881-F883 HydrophobicContact CG-CE2 3.55Å; L881-F883 HydrophobicContact CG-CZ 3.93Å; L881-F883 WeakPolarHBondContact O-CD2 3.38Å; L881-F883 WeakPolarHBondContact O-CE2 3.38Å; F883-L902 HydrophobicContact CE1-CD2 3.78Å; F883-L902 HydrophobicContact CZ-CD2 3.82Å; F883-W921 HydrophobicContact CB-CH2 4.38Å; F883-W921 AromaticContact CD2-CH2 3.83Å; F883-W921 HydrophobicContact CD2-CH2 3.83Å; F883-W921 AromaticContact CD2-CZ3 3.55Å; F883-W921 HydrophobicContact CD2-CZ3 3.55Å; F883-W921 HydrophobicContact CE2-CH2 4.24Å; F883-W921 AromaticContact CE2-CZ3 3.67Å; F883-W921 HydrophobicContact CE2-CZ3 3.67Å; F883-W921 HydrophobicContact CG-CH2 4.01Å; F883-W921 HydrophobicContact CG-CZ3 4.21Å; F883-W921 HydrophobicContact CZ-CZ3 4.41Å; F883-W952 HydrophobicContact CD1-CE3 4.17Å; F883-W952 HydrophobicContact CE1-CE3 4Å; F883-W952 HydrophobicContact CE1-CZ3 4.41Å; F883-M955 HydrophobicContact CB-CE 3.99Å; F883-M955 HydrophobicContact CB-SD 4.22Å; F883-M955 WeakPolarHBondContact O-CE 3.31Å; F883-V960 VanDerWaalsContact O-CA 3.31Å; F883-V960 WeakPolarHBondContact O-CA 3.48Å; F883-K961 PolarHBondContact N-O 2.99Å; F883-K961 PolarHBondContact O-N 3.34Å; F883-L963 HydrophobicContact CE2-CB 3.98Å
884	N	97.1	Very high	84.2	Confident	50 Å²	50	65.1 Å²	65.1	27%	0.267	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.1	174	179.1	15.3	0	0	0	108.7	F868 E869	F868-N884 WeakPolarHBondContact CA-O 3.32Å; E869-N884 HydrophobicContact CB-CB 4.21Å; E869-N884 PolarHBondContact N-O 2.65Å; E869-N884 PolarHBondContact O-N 2.98Å; E869-N884 PolarHBondContact OE2-ND2 3.07Å
885	L	95.4	Very high	83.2	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.4	-174.2	175.7	57.8	0	0	0	112	Y866 F868 K887 M955 S958 D959	Y866-L885 HydrophobicContact CD1-CD1 4.22Å; Y866-L885 HydrophobicContact CG-CD1 4.48Å; F868-L885 HydrophobicContact CD1-CB 4.23Å; F868-L885 HydrophobicContact CD1-CD1 4.05Å; F868-L885 HydrophobicContact CD2-CD1 4.14Å; F868-L885 HydrophobicContact CE1-CB 4.07Å; F868-L885 HydrophobicContact CE1-CD1 3.77Å; F868-L885 HydrophobicContact CE1-CD2 4.15Å; F868-L885 HydrophobicContact CE1-CG 4.21Å; F868-L885 HydrophobicContact CE2-CD1 3.85Å; F868-L885 HydrophobicContact CG-CD1 4.23Å; F868-L885 HydrophobicContact CZ-CD1 3.67Å; F868-L885 HydrophobicContact CZ-CD2 4.17Å; F868-L885 HydrophobicContact CZ-CG 4.41Å; L885-K887 HydrophobicContact CD1-CG 4.22Å; L885-K887 HydrophobicContact CD2-CD 4.35Å; L885-K887 VanDerWaalsContact CD2-CE 3.4Å; L885-K887 HydrophobicContact CD2-CG 3.99Å; L885-K887 HydrophobicContact CG-CG 3.93Å; L885-M955 HydrophobicContact CB-CE 3.89Å; L885-M955 HydrophobicContact CD2-CB 3.61Å; L885-S958 VanDerWaalsContact O-CA 3.23Å; L885-S958 WeakPolarHBondContact O-CA 3.36Å; L885-S958 PolarHBondContact O-N 3.21Å; L885-D959 PolarHBondContact N-O 3.29Å
886	T	93.2	Very high	82.4	Confident	66 Å²	66	65.1 Å²	65.1	41%	0.405	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.1	162.4	-58.9	0	0	0	0	109.2	F867	F867-T886 PolarHBondContact N-O 3.34Å; F867-T886 PolarHBondContact O-N 2.95Å
887	K	88.8	Confident	82.2	Confident	50 Å²	50	59.1 Å²	59.1	22%	0.217	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.2	170.3	-46	-172.3	163.8	-174.2	0	109.7	Y866 L885 M955 Q957	Y866-K887 HydrophobicContact CD1-CB 4.18Å; Y866-K887 HydrophobicContact CD1-CD 4.2Å; Y866-K887 HydrophobicContact CD1-CG 3.81Å; Y866-K887 HydrophobicContact CE1-CB 4.35Å; Y866-K887 HydrophobicContact CE1-CD 3.79Å; Y866-K887 HydrophobicContact CE1-CG 3.93Å; L885-K887 HydrophobicContact CD1-CG 4.22Å; L885-K887 HydrophobicContact CD2-CD 4.35Å; L885-K887 VanDerWaalsContact CD2-CE 3.4Å; L885-K887 HydrophobicContact CD2-CG 3.99Å; L885-K887 HydrophobicContact CG-CG 3.93Å; K887-M955 WeakPolarHBondContact CE-O 3.22Å; K887-M955 PolarHBondContact NZ-O 3.14Å; K887-Q957 PolarHBondContact O-OE1 2.74Å
888	A	85.6	Confident	82.1	Confident	16 Å²	16	64.7 Å²	64.7	13%	0.132	34%	0.344	C	S	.	.			trans	-60.3	151.9	162.6	0	0	0	0	0	110.3	S862 N863 S865 A890	S862-A888 VanDerWaalsContact O-CB 3.28Å; S862-A888 WeakPolarHBondContact O-CB 3.27Å; N863-A888 VanDerWaalsContact C-CB 3.5Å; S865-A888 PolarHBondContact O-N 2.87Å; A888-A890 PolarHBondContact O-N 2.79Å
889	P	73	Confident	82.1	Confident	85 Å²	85	62.8 Å²	62.8	55%	0.552	34%	0.336	S	S	*	.			trans	-65.3	11.8	-174.8	23.6	-32.3	0	0	0	116.2	K891	P889-K891 VanDerWaalsContact C-N 3.25Å; P889-K891 HydrophobicContact CB-CG 4.32Å; P889-K891 PolarHBondContact O-N 2.88Å; P889-K891 VanDerWaalsContact O-N 3.11Å
890	A	64.7	Low	82.2	Confident	73 Å²	73	63.3 Å²	63.3	60%	0.603	34%	0.339	S	S	*	.			trans	47.2	42.3	172.7	0	0	0	0	0	114.2	N863 A888	N863-A890 WeakPolarHBondContact O-CA 3.31Å; N863-A890 PolarHBondContact O-N 2.85Å; A888-A890 PolarHBondContact O-N 2.79Å
891	K	59.4	Low	82.2	Confident	158 Å²	158	64.1 Å²	64.1	69%	0.687	34%	0.342	S	S	*	.			trans	-81.5	-17.1	-178.2	-68.2	-177	-179.6	174.2	0	113.7	N863 P889 P893	N863-K891 HydrophobicContact CB-CB 4.47Å; P889-K891 VanDerWaalsContact C-N 3.25Å; P889-K891 HydrophobicContact CB-CG 4.32Å; P889-K891 PolarHBondContact O-N 2.88Å; P889-K891 VanDerWaalsContact O-N 3.11Å; K891-P893 WeakPolarHBondContact O-CD 3.04Å
892	E	62.8	Low	82.2	Confident	62 Å²	62	64.1 Å²	64.1	29%	0.29	34%	0.342	S	S	.	.			trans	-85.4	119.6	-175.8	-174.2	60.8	-147.8	0	0	110.9	N863 R894 C895	N863-E892 HydrophobicContact CB-CB 4.49Å; E892-R894 HydrophobicContact CG-CB 4.11Å; E892-R894 PolarHBondContact O-N 2.98Å; E892-R894 VanDerWaalsContact O-N 3.08Å; E892-R894 IonicContact OE1-CZ 2.64Å; E892-R894 IonicContact OE1-NE 3.92Å; E892-R894 PolarHBondContact OE1-NE 3.02Å; E892-R894 IonicContact OE1-NH2 3.34Å; E892-R894 PolarHBondContact OE1-NH2 3.38Å; E892-C895 HydrophobicContact CB-CB 4.35Å; E892-C895 VanDerWaalsContact O-CB 3.3Å; E892-C895 WeakPolarHBondContact O-CB 3.29Å; E892-C895 PolarHBondContact O-N 3.24Å
893	P	62	Low	82.2	Confident	125 Å²	125	66 Å²	66	81%	0.812	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24	178.9	-22.6	32.5	0	0	0	113.9	K891	K891-P893 WeakPolarHBondContact O-CD 3.04Å
894	R	60.7	Low	82.2	Confident	196 Å²	196	66.7 Å²	66.7	74%	0.74	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.6	179.8	-68.1	179.3	-73.7	172.9	-2.3	113.9	E892 S896	E892-R894 HydrophobicContact CG-CB 4.11Å; E892-R894 PolarHBondContact O-N 2.98Å; E892-R894 VanDerWaalsContact O-N 3.08Å; E892-R894 IonicContact OE1-CZ 2.64Å; E892-R894 IonicContact OE1-NE 3.92Å; E892-R894 PolarHBondContact OE1-NE 3.02Å; E892-R894 IonicContact OE1-NH2 3.34Å; E892-R894 PolarHBondContact OE1-NH2 3.38Å; R894-S896 PolarHBondContact O-N 2.94Å
895	C	68.5	Low	82.2	Confident	42 Å²	42	64.3 Å²	64.3	28%	0.284	34%	0.337	S	S	.	.			trans	-70.6	90.4	-180	-175.7	0	0	0	0	111.3	C864 E892	C864-C895 VanDerWaalsContact CA-SG 3.57Å; C864-C895 HydrophobicContact CB-CB 3.72Å; C864-C895 WeakPolarHBondContact CB-SG 3.19Å; C864-C895 WeakPolarHBondContact SG-CA 3.38Å; C864-C895 WeakPolarHBondContact SG-CB 3.05Å; C864-C895 CovalentContact SG-SG 2.03Å; C864-C895 PolarHBondContact SG-SG 3.18Å; E892-C895 HydrophobicContact CB-CB 4.35Å; E892-C895 VanDerWaalsContact O-CB 3.3Å; E892-C895 WeakPolarHBondContact O-CB 3.29Å; E892-C895 PolarHBondContact O-N 3.24Å
896	S	71.3	Confident	82.3	Confident	113 Å²	113	65 Å²	65	79%	0.79	34%	0.34	S	S	*	.			trans	-105	53.3	171.2	60.4	0	0	0	0	111.1	R894 R898	R894-S896 PolarHBondContact O-N 2.94Å; S896-R898 PolarHBondContact O-N 2.99Å
897	L	83.6	Confident	82.5	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.131	32%	0.321	C	S	.	.			trans	-72.2	108.8	-175.7	-172.6	59	0	0	0	111.2	D854 D855 Y866	D854-L897 WeakPolarHBondContact O-CD1 3.26Å; D855-L897 HydrophobicContact CB-CD1 4.48Å; Y866-L897 HydrophobicContact CD2-CD2 3.52Å; Y866-L897 HydrophobicContact CD2-CG 4.16Å; Y866-L897 HydrophobicContact CE2-CB 4.38Å; Y866-L897 HydrophobicContact CE2-CD2 3.42Å; Y866-L897 VanDerWaalsContact CE2-CD2 3.42Å; Y866-L897 HydrophobicContact CE2-CG 3.73Å; Y866-L897 HydrophobicContact CG-CD2 4.21Å
898	R	84.5	Confident	82.8	Confident	189 Å²	189	59.5 Å²	59.5	71%	0.713	31%	0.311	S	S	*	.			trans	-88.7	123.3	171	-176.8	179.7	176.7	-167.2	-3.9	109.1	W853 S896	W853-R898 PolarHBondContact NE1-O 2.77Å; S896-R898 PolarHBondContact O-N 2.99Å
899	L	91.2	Very high	83.2	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.052	31%	0.305	C	S	.	.			trans	-103.7	113.8	170.9	178.9	71.3	0	0	0	108.8	F833 W853 Y866 F868 W952 N953	F833-L899 HydrophobicContact CD2-CD1 4.42Å; F833-L899 HydrophobicContact CE2-CD1 3.7Å; F833-L899 HydrophobicContact CZ-CD1 4.41Å; W853-L899 HydrophobicContact CB-CD1 4.29Å; W853-L899 HydrophobicContact CD2-CD1 4.12Å; W853-L899 HydrophobicContact CG-CD1 3.78Å; Y866-L899 HydrophobicContact CD2-CB 4.21Å; Y866-L899 HydrophobicContact CD2-CD1 4.48Å; Y866-L899 HydrophobicContact CD2-CD2 4.22Å; Y866-L899 HydrophobicContact CE2-CB 4.01Å; F868-L899 HydrophobicContact CE2-CD2 3.8Å; F868-L899 HydrophobicContact CZ-CD2 3.79Å; L899-W952 HydrophobicContact CD1-CZ2 4.49Å; L899-W952 HydrophobicContact CD2-CD2 4.38Å; L899-W952 HydrophobicContact CD2-CZ2 4.44Å; L899-W952 HydrophobicContact CG-CZ2 4.38Å; L899-N953 WeakPolarHBondContact CB-OD1 3.45Å; L899-N953 PolarHBondContact O-ND2 3.26Å; L899-N953 PolarHBondContact O-OD1 2.88Å
900	P	95.1	Very high	84.2	Confident	12 Å²	12	54.9 Å²	54.9	8%	0.078	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-53.4	152.1	172.2	-25.8	31.3	0	0	0	112.7	R829 Q831 F833 W853 W952	R829-P900 WeakPolarHBondContact O-CG 3.42Å; Q831-P900 WeakPolarHBondContact O-CB 3.49Å; F833-P900 HydrophobicContact CD2-CB 3.97Å; F833-P900 HydrophobicContact CD2-CG 4.43Å; F833-P900 HydrophobicContact CE2-CB 4.24Å; F833-P900 HydrophobicContact CE2-CG 4.21Å; W853-P900 HydrophobicContact CH2-CG 4.39Å; W853-P900 HydrophobicContact CZ2-CG 4.24Å; P900-W952 WeakPolarHBondContact O-CZ2 3.32Å; P900-W952 PolarHBondContact O-NE1 3.12Å
901	D	96.3	Very high	85.3	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.203	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.3	147.6	179.4	-65	-45.2	0	0	0	111.2	P832 F833 Y903 K948 N953	P832-D901 CarbonylContact C-O 3.54Å; P832-D901 WeakPolarHBondContact CA-O 3.38Å; P832-D901 WeakPolarHBondContact CB-O 3.02Å; F833-D901 PolarHBondContact N-O 3.09Å; D901-Y903 HydrophobicContact CB-CD1 3.92Å; D901-Y903 HydrophobicContact CB-CE1 3.55Å; D901-K948 HydrophobicContact CB-CG 4.1Å; D901-K948 WeakPolarHBondContact OD2-CE 3.29Å; D901-K948 WeakPolarHBondContact OD2-CG 3.35Å; D901-N953 PolarHBondContact OD1-ND2 3.1Å
902	L	97.3	Very high	86.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.2	170.2	175.4	61.7	0	0	0	109.9	F833 L835 F883 T904 V905 L949 V950 W952	F833-L902 HydrophobicContact CB-CB 4.45Å; F833-L902 HydrophobicContact CB-CD1 3.97Å; F833-L902 WeakPolarHBondContact O-CD1 3.41Å; L835-L902 HydrophobicContact CD1-CD1 4.41Å; L835-L902 HydrophobicContact CD1-CD2 3.77Å; L835-L902 HydrophobicContact CG-CD1 3.88Å; L835-L902 HydrophobicContact CG-CD2 4.15Å; F883-L902 HydrophobicContact CE1-CD2 3.78Å; F883-L902 HydrophobicContact CZ-CD2 3.82Å; L902-T904 WeakPolarHBondContact CD1-O 2.99Å; L902-V905 HydrophobicContact CD2-CG2 4.24Å; L902-L949 WeakPolarHBondContact O-CB 3.29Å; L902-L949 PolarHBondContact O-N 3.03Å; L902-V950 HydrophobicContact CB-CG2 3.8Å; L902-V950 HydrophobicContact CD2-CG2 3.64Å; L902-V950 HydrophobicContact CG-CG2 4.11Å; L902-W952 HydrophobicContact CB-CD2 4Å; L902-W952 HydrophobicContact CB-CE3 4.21Å; L902-W952 HydrophobicContact CB-CH2 3.92Å; L902-W952 HydrophobicContact CB-CZ2 3.69Å; L902-W952 HydrophobicContact CB-CZ3 4.17Å; L902-W952 HydrophobicContact CD2-CE3 4.32Å; L902-W952 HydrophobicContact CD2-CZ3 4.24Å
903	Y	97.2	Very high	87.9	Confident	74 Å²	74	52.1 Å²	52.1	29%	0.29	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-32.6	-177.1	-83.2	22.8	0	0	0	113.2	P832 F833 D901 A945 K946 P947 K948	P832-Y903 HydrophobicContact CB-CD1 3.66Å; P832-Y903 HydrophobicContact CB-CD2 3.52Å; P832-Y903 HydrophobicContact CB-CE1 4.07Å; P832-Y903 HydrophobicContact CB-CE2 3.91Å; P832-Y903 HydrophobicContact CB-CG 3.37Å; P832-Y903 HydrophobicContact CG-CD1 4.19Å; P832-Y903 HydrophobicContact CG-CD2 3.44Å; P832-Y903 VanDerWaalsContact CG-CD2 3.44Å; P832-Y903 HydrophobicContact CG-CE1 4.17Å; P832-Y903 HydrophobicContact CG-CE2 3.39Å; P832-Y903 HydrophobicContact CG-CG 3.86Å; F833-Y903 PolarHBondContact O-N 3.2Å; D901-Y903 HydrophobicContact CB-CD1 3.92Å; D901-Y903 HydrophobicContact CB-CE1 3.55Å; Y903-A945 CarbonylContact O-C 3.53Å; Y903-A945 WeakPolarHBondContact O-CA 3.31Å; Y903-K946 WeakPolarHBondContact CA-O 3.24Å; Y903-K946 PolarHBondContact O-N 2.68Å; Y903-P947 HydrophobicContact CD2-CB 4.36Å; Y903-P947 HydrophobicContact CE1-CB 4.1Å; Y903-P947 HydrophobicContact CE2-CB 3.87Å; Y903-P947 HydrophobicContact CE2-CG 4.22Å; Y903-K948 HydrophobicContact CE1-CG 4.22Å
904	T	97.7	Very high	89.1	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.086	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.6	-169.7	-52.7	0	0	0	0	111	E834 L835 L902 T943 I944 A945	E834-T904 CarbonylContact C-O 3.54Å; E834-T904 WeakPolarHBondContact CA-O 3.49Å; L835-T904 PolarHBondContact N-O 2.9Å; L902-T904 WeakPolarHBondContact CD1-O 2.99Å; T904-T943 HydrophobicContact CG2-CG2 3.8Å; T904-I944 WeakPolarHBondContact CA-O 3.28Å; T904-A945 HydrophobicContact CG2-CB 4.25Å
905	V	97.9	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.4	161	176.4	0	0	0	0	107.1	L835 I837 L881 L902 L907 I944 L949 L963	L835-V905 HydrophobicContact CB-CG2 4.49Å; L835-V905 WeakPolarHBondContact O-CA 2.99Å; I837-V905 HydrophobicContact CD1-CG1 3.64Å; I837-V905 HydrophobicContact CG1-CG1 4.27Å; L881-V905 HydrophobicContact CD2-CG1 4.26Å; L881-V905 HydrophobicContact CD2-CG2 4.11Å; L902-V905 HydrophobicContact CD2-CG2 4.24Å; V905-L907 HydrophobicContact CG1-CD1 3.82Å; V905-I944 PolarHBondContact N-O 3.2Å; V905-I944 PolarHBondContact O-N 3.31Å; V905-L949 HydrophobicContact CB-CD2 4.33Å; V905-L949 HydrophobicContact CG2-CD2 3.91Å; V905-L963 HydrophobicContact CG2-CD2 3.88Å
906	E	97.3	Very high	90.9	Very high	17 Å²	17	41 Å²	41	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.2	176.7	-176.9	171.4	67.3	0	0	109.6	R818 L835 L836 I837 L908 K941 L942	R818-E906 IonicContact CZ-OE1 3.54Å; R818-E906 IonicContact NH1-OE1 3.5Å; R818-E906 PolarHBondContact NH1-OE1 2.88Å; R818-E906 IonicContact NH2-OE1 3.17Å; R818-E906 PolarHBondContact NH2-OE1 3.22Å; L835-E906 PolarHBondContact O-N 3.48Å; L836-E906 CarbonylContact C-O 3.51Å; L836-E906 WeakPolarHBondContact CA-O 3.45Å; L836-E906 HydrophobicContact CD1-CB 4.1Å; L836-E906 HydrophobicContact CD1-CG 3.99Å; L836-E906 WeakPolarHBondContact CD1-OE1 3.46Å; I837-E906 PolarHBondContact N-O 2.94Å; E906-L908 HydrophobicContact CG-CD2 4.29Å; E906-K941 HydrophobicContact CG-CD 4.12Å; E906-K941 HydrophobicContact CG-CG 4.18Å; E906-K941 WeakPolarHBondContact OE2-CD 3.36Å; E906-K941 IonicContact OE2-NZ 2.72Å; E906-L942 CarbonylContact C-O 3.48Å; E906-L942 WeakPolarHBondContact CA-O 3.45Å
907	L	96.9	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.7	-179.1	-68.3	97.8	0	0	0	110.4	I837 V839 Y872 V905 A910 K941 L942 W965	I837-L907 HydrophobicContact CB-CD2 4.36Å; I837-L907 HydrophobicContact CB-CG 4.06Å; I837-L907 HydrophobicContact CD1-CD1 4.47Å; I837-L907 HydrophobicContact CD1-CD2 4.1Å; I837-L907 HydrophobicContact CD1-CG 4.03Å; I837-L907 HydrophobicContact CG1-CG 4.45Å; I837-L907 HydrophobicContact CG2-CD2 4.37Å; I837-L907 WeakPolarHBondContact O-CA 3.49Å; V839-L907 HydrophobicContact CG2-CD2 4.35Å; Y872-L907 HydrophobicContact CE1-CD2 4.02Å; Y872-L907 HydrophobicContact CE2-CD2 3.85Å; Y872-L907 WeakPolarHBondContact OH-CD2 3.23Å; V905-L907 HydrophobicContact CG1-CD1 3.82Å; L907-A910 HydrophobicContact CB-CB 4.24Å; L907-K941 WeakPolarHBondContact O-CA 3.33Å; L907-L942 HydrophobicContact CB-CB 4.21Å; L907-L942 HydrophobicContact CD1-CB 4.44Å; L907-L942 HydrophobicContact CD1-CD2 4.09Å; L907-L942 HydrophobicContact CD1-CG 4.21Å; L907-L942 PolarHBondContact N-O 2.97Å; L907-L942 PolarHBondContact O-N 3.07Å; L907-W965 HydrophobicContact CD1-CH2 4.11Å; L907-W965 HydrophobicContact CD1-CZ2 3.79Å; L907-W965 HydrophobicContact CD2-CH2 4.08Å; L907-W965 HydrophobicContact CD2-CZ2 3.43Å; L907-W965 VanDerWaalsContact CD2-CZ2 3.43Å; L907-W965 HydrophobicContact CG-CZ2 4.24Å
908	L	96.8	Very high	91.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.4	171.3	-47.2	-175.6	0	0	0	109.3	Y779 V781 L836 I837 V839 E906 K941	Y779-L908 HydrophobicContact CD1-CB 3.75Å; Y779-L908 HydrophobicContact CD1-CD1 4.48Å; Y779-L908 HydrophobicContact CD2-CB 4.17Å; Y779-L908 HydrophobicContact CD2-CD1 4.46Å; Y779-L908 HydrophobicContact CE1-CB 3.97Å; Y779-L908 HydrophobicContact CE2-CB 4.37Å; Y779-L908 HydrophobicContact CG-CB 3.85Å; Y779-L908 HydrophobicContact CG-CD1 3.96Å; V781-L908 HydrophobicContact CG1-CD1 4.11Å; L836-L908 HydrophobicContact CD1-CD1 3.86Å; L836-L908 HydrophobicContact CD1-CD2 3.93Å; L836-L908 HydrophobicContact CD1-CG 3.64Å; L836-L908 HydrophobicContact CD2-CD1 4.23Å; L836-L908 HydrophobicContact CG-CD1 4.36Å; L836-L908 HydrophobicContact CG-CG 4.49Å; I837-L908 PolarHBondContact O-N 2.63Å; V839-L908 WeakPolarHBondContact CB-O 3.39Å; V839-L908 VanDerWaalsContact CG2-O 3.32Å; V839-L908 WeakPolarHBondContact CG2-O 3.36Å; V839-L908 PolarHBondContact N-O 3.39Å; E906-L908 HydrophobicContact CG-CD2 4.29Å; L908-K941 HydrophobicContact CD2-CD 3.57Å; L908-K941 HydrophobicContact CD2-CG 3.94Å
909	G	94	Very high	92.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	18.7	-177.2	0	0	0	0	0	114.8	Y779 N841 E911 K940	Y779-G909 WeakPolarHBondContact OH-CA 3.49Å; N841-G909 PolarHBondContact ND2-O 3.13Å; N841-G909 VanDerWaalsContact ND2-O 3.07Å; G909-E911 PolarHBondContact O-N 3.1Å; G909-E911 VanDerWaalsContact O-N 3.15Å; G909-K940 CarbonylContact C-O 3.45Å; G909-K940 WeakPolarHBondContact CA-O 3.34Å; G909-K940 PolarHBondContact N-O 3.35Å
910	A	92.5	Very high	92.4	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	18%	0.178	C	C	.	.			trans	-67.3	105	170.2	0	0	0	0	0	109.8	L907 R912 Y935 K940 L942	L907-A910 HydrophobicContact CB-CB 4.24Å; A910-R912 PolarHBondContact O-N 3.21Å; A910-Y935 HydrophobicContact CB-CE2 4.33Å; A910-Y935 WeakPolarHBondContact O-CE2 3.45Å; A910-Y935 PolarHBondContact O-OH 3.49Å; A910-Y935 VanDerWaalsContact O-OH 3.08Å; A910-K940 PolarHBondContact N-O 2.87Å; A910-K940 CarbonylContact O-C 3.58Å; A910-K940 WeakPolarHBondContact O-CB 3.39Å; A910-L942 HydrophobicContact CB-CB 3.75Å
911	E	89.3	Confident	92.4	Very high	89 Å²	89	34.1 Å²	34.1	42%	0.416	18%	0.18	S	C	.	.	S	Bend	trans	-66.8	-19.2	-176	-67.9	-65.6	157.8	0	0	113.7	R790 N841 G909 Y935 K940	R790-E911 IonicContact NH1-OE1 2.73Å; R790-E911 IonicContact NH2-OE1 3.22Å; N841-E911 WeakPolarHBondContact ND2-CG 3.49Å; N841-E911 PolarHBondContact ND2-OE1 3.18Å; G909-E911 PolarHBondContact O-N 3.1Å; G909-E911 VanDerWaalsContact O-N 3.15Å; E911-Y935 PolarHBondContact O-OH 3.29Å; E911-K940 VanDerWaalsContact CD-NZ 3.32Å; E911-K940 IonicContact OE1-NZ 3.9Å; E911-K940 PolarHBondContact OE1-NZ 3.09Å; E911-K940 VanDerWaalsContact OE1-NZ 3.15Å; E911-K940 WeakPolarHBondContact OE2-CE 3.26Å; E911-K940 IonicContact OE2-NZ 2.83Å; E911-K940 PolarHBondContact OE2-NZ 2.89Å
912	R	87.9	Confident	92.3	Very high	105 Å²	105	36.2 Å²	36.2	40%	0.396	19%	0.191	S	C	.	.	S	Bend	trans	-140	149.8	-176	-59.9	-173.1	-167.6	170.3	9.6	111.4	N877 A910 F967 L968	N877-R912 PolarHBondContact OD1-NH1 2.86Å; A910-R912 PolarHBondContact O-N 3.21Å; R912-F967 HydrophobicContact CB-CB 4.06Å; R912-F967 HydrophobicContact CB-CD1 4.24Å; R912-F967 HydrophobicContact CB-CG 4.38Å; R912-F967 WeakPolarHBondContact O-CD1 3.4Å; R912-F967 WeakPolarHBondContact O-CE1 3.43Å; R912-L968 WeakPolarHBondContact CD-O 3.47Å
913	P	87.8	Confident	92.2	Very high	40 Å²	40	38.3 Å²	38.3	26%	0.26	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-68.4	149.1	172.8	22.7	-27.4	0	0	0	112	Y935 F967 L968	P913-Y935 HydrophobicContact CB-CD1 3.63Å; P913-Y935 HydrophobicContact CB-CD2 4.18Å; P913-Y935 HydrophobicContact CB-CE1 4.12Å; P913-Y935 HydrophobicContact CB-CG 3.65Å; P913-Y935 HydrophobicContact CG-CD1 4.1Å; P913-Y935 HydrophobicContact CG-CE1 4.19Å; P913-F967 CarbonylContact O-C 3.48Å; P913-F967 WeakPolarHBondContact O-CA 3.48Å; P913-L968 HydrophobicContact CB-CD1 4.03Å; P913-L968 HydrophobicContact CG-CB 4.13Å; P913-L968 HydrophobicContact CG-CD1 3.67Å; P913-L968 HydrophobicContact CG-CG 4.39Å; P913-L968 PolarHBondContact O-N 3.16Å
914	A	87.6	Confident	92.1	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	150.6	172.7	0	0	0	0	0	112.4	P916 V933 L942 W965 H966	A914-P916 WeakPolarHBondContact O-CD 3.35Å; A914-V933 HydrophobicContact CB-CG1 4.17Å; A914-L942 HydrophobicContact CB-CD1 3.91Å; A914-L942 HydrophobicContact CB-CD2 3.71Å; A914-L942 HydrophobicContact CB-CG 4.49Å; A914-W965 HydrophobicContact CB-CG 4.3Å; A914-H966 WeakPolarHBondContact CA-O 3.19Å
915	K	84.5	Confident	91.9	Very high	84 Å²	84	45.6 Å²	45.6	37%	0.365	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.2	169	-72.4	178.4	-176.9	174	0	109.4	A917 N918 H966 L968	K915-A917 VanDerWaalsContact C-N 3.32Å; K915-A917 PolarHBondContact O-N 2.75Å; K915-N918 HydrophobicContact CB-CB 3.95Å; K915-N918 PolarHBondContact O-N 3.23Å; K915-N918 VanDerWaalsContact O-N 3.14Å; K915-H966 PolarHBondContact N-O 3.09Å; K915-L968 HydrophobicContact CD-CD2 4.21Å; K915-L968 HydrophobicContact CG-CD2 3.58Å; K915-L968 HydrophobicContact CG-CG 3.84Å
916	P	82.3	Confident	91.7	Very high	42 Å²	42	46.4 Å²	46.4	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	-38.2	-175.6	-24.2	32.7	0	0	0	114.3	A914 N918 V933	A914-P916 WeakPolarHBondContact O-CD 3.35Å; P916-N918 PolarHBondContact O-N 2.85Å; P916-N918 VanDerWaalsContact O-N 3.17Å; P916-V933 HydrophobicContact CB-CB 4.29Å; P916-V933 HydrophobicContact CB-CG2 3.96Å; P916-V933 HydrophobicContact CG-CB 4.06Å; P916-V933 HydrophobicContact CG-CG1 4.46Å; P916-V933 HydrophobicContact CG-CG2 4.28Å
917	A	83.6	Confident	91.5	Very high	83 Å²	83	53.7 Å²	53.7	69%	0.686	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	-4.7	-177.8	0	0	0	0	0	114.6	K915	K915-A917 VanDerWaalsContact C-N 3.32Å; K915-A917 PolarHBondContact O-N 2.75Å
918	N	87.5	Confident	91.3	Very high	61 Å²	61	54.7 Å²	54.7	33%	0.326	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	21.6	-170.1	-82.7	21.1	0	0	0	112.6	K915 P916 W965 H966	K915-N918 HydrophobicContact CB-CB 3.95Å; K915-N918 PolarHBondContact O-N 3.23Å; K915-N918 VanDerWaalsContact O-N 3.14Å; P916-N918 PolarHBondContact O-N 2.85Å; P916-N918 VanDerWaalsContact O-N 3.17Å; N918-W965 WeakPolarHBondContact O-CA 3.26Å; N918-H966 HydrophobicContact CB-CB 4.02Å
919	V	94.5	Very high	91	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.8	175.6	-168.7	0	0	0	0	109.3	I926 L928 I944 L963 R964 W965	V919-I926 HydrophobicContact CG1-CD1 3.9Å; V919-I926 PolarHBondContact O-N 2.85Å; V919-L928 HydrophobicContact CB-CD1 3.47Å; V919-L928 VanDerWaalsContact CB-CD1 3.47Å; V919-L928 HydrophobicContact CG1-CD1 3.98Å; V919-L928 HydrophobicContact CG2-CD1 3.33Å; V919-I944 HydrophobicContact CG2-CD1 4.49Å; V919-L963 HydrophobicContact CG1-CD1 3.72Å; V919-R964 CarbonylContact C-O 3.46Å; V919-R964 WeakPolarHBondContact CA-O 3.47Å; V919-R964 WeakPolarHBondContact CG1-O 3.18Å; V919-W965 HydrophobicContact CB-CB 4.39Å; V919-W965 HydrophobicContact CG1-CB 4.35Å; V919-W965 HydrophobicContact CG2-CB 3.79Å
920	T	95.9	Very high	90.6	Very high	33 Å²	33	62.1 Å²	62.1	20%	0.202	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.3	-179	66.2	0	0	0	0	111.2	Q924 L963 R964	T920-Q924 CarbonylContact C-O 3.57Å; T920-Q924 WeakPolarHBondContact CA-O 3.21Å; T920-Q924 WeakPolarHBondContact CB-O 3.42Å; T920-L963 CarbonylContact O-C 3.54Å; T920-L963 WeakPolarHBondContact O-CA 3.44Å; T920-R964 PolarHBondContact N-O 3.01Å; T920-R964 PolarHBondContact O-N 3.05Å
921	W	96	Very high	90.6	Very high	27 Å²	27	70.4 Å²	70.4	10%	0.102	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.6	166.7	175.2	-122.4	0	0	0	109	F883 G923 Q924 I926 V950 M955 K961 L963	F883-W921 HydrophobicContact CB-CH2 4.38Å; F883-W921 AromaticContact CD2-CH2 3.83Å; F883-W921 HydrophobicContact CD2-CH2 3.83Å; F883-W921 AromaticContact CD2-CZ3 3.55Å; F883-W921 HydrophobicContact CD2-CZ3 3.55Å; F883-W921 HydrophobicContact CE2-CH2 4.24Å; F883-W921 AromaticContact CE2-CZ3 3.67Å; F883-W921 HydrophobicContact CE2-CZ3 3.67Å; F883-W921 HydrophobicContact CG-CH2 4.01Å; F883-W921 HydrophobicContact CG-CZ3 4.21Å; F883-W921 HydrophobicContact CZ-CZ3 4.41Å; W921-G923 PolarHBondContact O-N 3.09Å; W921-Q924 PolarHBondContact N-O 2.88Å; W921-Q924 WeakPolarHBondContact O-CB 3.41Å; W921-Q924 PolarHBondContact O-N 3.36Å; W921-I926 HydrophobicContact CB-CD1 3.86Å; W921-I926 HydrophobicContact CB-CG1 3.99Å; W921-V950 HydrophobicContact CD2-CB 3.8Å; W921-V950 HydrophobicContact CD2-CG1 3.81Å; W921-V950 HydrophobicContact CE3-CB 3.88Å; W921-V950 HydrophobicContact CE3-CG1 3.48Å; W921-V950 VanDerWaalsContact CE3-CG1 3.48Å; W921-V950 HydrophobicContact CG-CB 4.36Å; W921-V950 HydrophobicContact CG-CG1 4.37Å; W921-V950 HydrophobicContact CH2-CB 4.11Å; W921-V950 HydrophobicContact CH2-CG1 4.37Å; W921-V950 HydrophobicContact CZ2-CB 4.03Å; W921-V950 HydrophobicContact CZ3-CB 4.04Å; W921-V950 HydrophobicContact CZ3-CG1 3.81Å; W921-M955 HydrophobicContact CH2-SD 4.2Å; W921-M955 HydrophobicContact CZ2-SD 4.19Å; W921-K961 HydrophobicContact CH2-CB 3.38Å; W921-K961 HydrophobicContact CH2-CD 4.31Å; W921-K961 HydrophobicContact CH2-CG 4.45Å; W921-K961 HydrophobicContact CZ2-CB 3.56Å; W921-K961 HydrophobicContact CZ2-CD 3.57Å; W921-K961 HydrophobicContact CZ2-CG 4.19Å; W921-K961 HydrophobicContact CZ3-CB 3.98Å; W921-L963 HydrophobicContact CE3-CB 3.97Å; W921-L963 HydrophobicContact CZ3-CB 4.21Å
922	D	95.1	Very high	90.9	Very high	82 Å²	82	67.5 Å²	67.5	44%	0.439	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	43.9	-178.8	-159.6	29.6	0	0	0	112.9	Q924 K961 T962	D922-Q924 PolarHBondContact O-N 2.82Å; D922-K961 HydrophobicContact CB-CB 4.47Å; D922-K961 HydrophobicContact CB-CD 4.42Å; D922-K961 HydrophobicContact CB-CG 4.47Å; D922-T962 PolarHBondContact N-O 3.13Å
923	G	93.8	Very high	91.2	Very high	44 Å²	44	63.2 Å²	63.2	45%	0.454	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-10.4	-176.9	0	0	0	0	0	115.3	W921	W921-G923 PolarHBondContact O-N 3.09Å
924	Q	94.5	Very high	91.5	Very high	137 Å²	137	66.1 Å²	66.1	64%	0.64	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.3	174.9	-60.4	-56.9	-44.7	0	0	110.7	T920 W921 D922 I926	T920-Q924 CarbonylContact C-O 3.57Å; T920-Q924 WeakPolarHBondContact CA-O 3.21Å; T920-Q924 WeakPolarHBondContact CB-O 3.42Å; W921-Q924 PolarHBondContact N-O 2.88Å; W921-Q924 WeakPolarHBondContact O-CB 3.41Å; W921-Q924 PolarHBondContact O-N 3.36Å; D922-Q924 PolarHBondContact O-N 2.82Å; Q924-I926 PolarHBondContact O-N 2.99Å
925	P	93.8	Very high	91.9	Very high	103 Å²	103	68.9 Å²	68.9	67%	0.669	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	134.1	176.8	-23.8	33.8	0	0	0	112.4
926	I	94.4	Very high	92.4	Very high	18 Å²	18	68 Å²	68	9%	0.092	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-95.9	120.6	170.5	-52.7	173.4	0	0	0	107.4	V919 W921 Q924 L928 K946 L949 L963	V919-I926 HydrophobicContact CG1-CD1 3.9Å; V919-I926 PolarHBondContact O-N 2.85Å; W921-I926 HydrophobicContact CB-CD1 3.86Å; W921-I926 HydrophobicContact CB-CG1 3.99Å; Q924-I926 PolarHBondContact O-N 2.99Å; I926-L928 HydrophobicContact CB-CG 4.38Å; I926-L928 HydrophobicContact CG2-CD2 3.95Å; I926-L928 HydrophobicContact CG2-CG 3.96Å; I926-L928 PolarHBondContact O-N 2.93Å; I926-K946 HydrophobicContact CG2-CD 3.85Å; I926-L949 HydrophobicContact CD1-CD1 4.21Å; I926-L949 WeakPolarHBondContact CD1-O 3.45Å; I926-L963 HydrophobicContact CD1-CD1 3.46Å; I926-L963 VanDerWaalsContact CD1-CD1 3.46Å
927	E	92.6	Very high	92.8	Very high	170 Å²	170	71.4 Å²	71.4	79%	0.794	40%	0.4	S	S	*	.			trans	-67.1	108.8	174.4	-166	177.7	-164.6	0	0	109.9	K946	E927-K946 PolarHBondContact O-NZ 3.12Å
928	L	93.6	Very high	93.2	Very high	21 Å²	21	74.3 Å²	74.3	11%	0.11	40%	0.399	C	S	.	.			trans	-125.8	144.1	177.8	-63.4	174.5	0	0	0	109.7	V919 I926 N932 V933 I944 K946 L949	V919-L928 HydrophobicContact CB-CD1 3.47Å; V919-L928 VanDerWaalsContact CB-CD1 3.47Å; V919-L928 HydrophobicContact CG1-CD1 3.98Å; V919-L928 HydrophobicContact CG2-CD1 3.33Å; I926-L928 HydrophobicContact CB-CG 4.38Å; I926-L928 HydrophobicContact CG2-CD2 3.95Å; I926-L928 HydrophobicContact CG2-CG 3.96Å; I926-L928 PolarHBondContact O-N 2.93Å; L928-N932 HydrophobicContact CB-CB 4.14Å; L928-N932 HydrophobicContact CD2-CB 3.63Å; L928-N932 HydrophobicContact CG-CB 4.4Å; L928-V933 HydrophobicContact CD1-CG2 4.01Å; L928-I944 HydrophobicContact CD1-CG2 4.04Å; L928-K946 HydrophobicContact CD2-CB 3.86Å; L928-K946 HydrophobicContact CD2-CD 3.61Å; L928-K946 HydrophobicContact CD2-CG 4.25Å; L928-L949 HydrophobicContact CD2-CD1 4.36Å
929	N	89.9	Confident	93.6	Very high	84 Å²	84	72 Å²	72	45%	0.449	39%	0.386	S	S	.	.			trans	-107.2	177.6	169.9	64.8	51.1	0	0	0	110.6	F931 N932	N929-F931 PolarHBondContact O-N 3.15Å; N929-F931 WeakPolarHBondContact OD1-CA 3.41Å; N929-F931 VanDerWaalsContact OD1-CB 3.27Å; N929-F931 WeakPolarHBondContact OD1-CB 3.4Å; N929-F931 PolarHBondContact OD1-N 3.31Å; N929-N932 PolarHBondContact N-OD1 3.15Å; N929-N932 PolarHBondContact ND2-OD1 2.97Å; N929-N932 PolarHBondContact O-N 3.19Å; N929-N932 PolarHBondContact OD1-N 3.22Å; N929-N932 PolarHBondContact OD1-OD1 3.41Å
930	A	86.3	Confident	93.5	Very high	72 Å²	72	75.5 Å²	75.5	60%	0.595	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.4	-178.7	0	0	0	0	0	114.1	V933	A930-V933 VanDerWaalsContact O-O 3.12Å
931	F	91.3	Very high	93.5	Very high	178 Å²	178	75.3 Å²	75.3	78%	0.781	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-21.6	176.6	-57.2	-77.3	0	0	0	112.9	N929 V933	N929-F931 PolarHBondContact O-N 3.15Å; N929-F931 WeakPolarHBondContact OD1-CA 3.41Å; N929-F931 VanDerWaalsContact OD1-CB 3.27Å; N929-F931 WeakPolarHBondContact OD1-CB 3.4Å; N929-F931 PolarHBondContact OD1-N 3.31Å; F931-V933 VanDerWaalsContact C-N 3.32Å
932	N	95.6	Very high	93.5	Very high	29 Å²	29	74 Å²	74	16%	0.155	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19	177.1	-61.1	121.7	0	0	0	112.9	L928 N929 I944 A945	L928-N932 HydrophobicContact CB-CB 4.14Å; L928-N932 HydrophobicContact CD2-CB 3.63Å; L928-N932 HydrophobicContact CG-CB 4.4Å; N929-N932 PolarHBondContact N-OD1 3.15Å; N929-N932 PolarHBondContact ND2-OD1 2.97Å; N929-N932 PolarHBondContact O-N 3.19Å; N929-N932 PolarHBondContact OD1-N 3.22Å; N929-N932 PolarHBondContact OD1-OD1 3.41Å; N932-I944 CarbonylContact O-C 3.51Å; N932-I944 WeakPolarHBondContact O-CA 3.27Å; N932-A945 WeakPolarHBondContact CA-O 3.47Å; N932-A945 WeakPolarHBondContact CB-O 3.47Å; N932-A945 PolarHBondContact ND2-O 3.41Å; N932-A945 PolarHBondContact O-N 2.74Å
933	V	95	Very high	93.6	Very high	15 Å²	15	71.3 Å²	71.3	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	101.2	-176.5	-177.3	0	0	0	0	108.5	A914 P916 L928 A930 F931 L942 T943 I944	A914-V933 HydrophobicContact CB-CG1 4.17Å; P916-V933 HydrophobicContact CB-CB 4.29Å; P916-V933 HydrophobicContact CB-CG2 3.96Å; P916-V933 HydrophobicContact CG-CB 4.06Å; P916-V933 HydrophobicContact CG-CG1 4.46Å; P916-V933 HydrophobicContact CG-CG2 4.28Å; L928-V933 HydrophobicContact CD1-CG2 4.01Å; A930-V933 VanDerWaalsContact O-O 3.12Å; F931-V933 VanDerWaalsContact C-N 3.32Å; V933-L942 HydrophobicContact CG1-CD1 3.73Å; V933-T943 WeakPolarHBondContact CA-O 3.45Å; V933-I944 HydrophobicContact CG2-CG1 4.49Å; V933-I944 HydrophobicContact CG2-CG2 4.48Å
934	L	94.9	Very high	93.7	Very high	100 Å²	100	69.2 Å²	69.2	52%	0.524	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.5	179.4	-58.9	177.2	0	0	0	109.3	L942 T943	L934-L942 WeakPolarHBondContact O-CA 3.42Å; L934-T943 PolarHBondContact N-O 2.89Å; L934-T943 PolarHBondContact O-N 3.28Å
935	Y	94.7	Very high	93.9	Very high	63 Å²	63	64.4 Å²	64.4	25%	0.247	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.7	175.3	-178.2	-107.2	0	0	0	110.7	A910 E911 P913 V937 K941 L942	A910-Y935 HydrophobicContact CB-CE2 4.33Å; A910-Y935 WeakPolarHBondContact O-CE2 3.45Å; A910-Y935 PolarHBondContact O-OH 3.49Å; A910-Y935 VanDerWaalsContact O-OH 3.08Å; E911-Y935 PolarHBondContact O-OH 3.29Å; P913-Y935 HydrophobicContact CB-CD1 3.63Å; P913-Y935 HydrophobicContact CB-CD2 4.18Å; P913-Y935 HydrophobicContact CB-CE1 4.12Å; P913-Y935 HydrophobicContact CB-CG 3.65Å; P913-Y935 HydrophobicContact CG-CD1 4.1Å; P913-Y935 HydrophobicContact CG-CE1 4.19Å; Y935-V937 HydrophobicContact CD1-CB 4.39Å; Y935-V937 HydrophobicContact CE1-CB 3.93Å; Y935-V937 HydrophobicContact CE1-CG2 4.2Å; Y935-K941 CarbonylContact C-O 3.56Å; Y935-K941 WeakPolarHBondContact CA-O 3.35Å; Y935-K941 WeakPolarHBondContact CD2-O 3.44Å; Y935-L942 HydrophobicContact CD2-CB 4.11Å
936	N	94.4	Very high	93.9	Very high	67 Å²	67	62.1 Å²	62.1	36%	0.358	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.4	170.9	-173.8	-40.1	0	0	0	109.1	H938 L939 K940 K941	N936-H938 VanDerWaalsContact C-N 3.29Å; N936-H938 PolarHBondContact O-N 2.97Å; N936-H938 PolarHBondContact OD1-N 2.92Å; N936-L939 HydrophobicContact CB-CB 4.31Å; N936-L939 WeakPolarHBondContact ND2-CD1 3.21Å; N936-L939 PolarHBondContact OD1-N 3.23Å; N936-K940 WeakPolarHBondContact O-CA 3.29Å; N936-K940 PolarHBondContact O-N 3.38Å; N936-K941 HydrophobicContact CB-CB 4.32Å; N936-K941 PolarHBondContact N-O 3.26Å; N936-K941 PolarHBondContact O-N 2.76Å; N936-K941 VanDerWaalsContact O-N 3.08Å
937	V	92.2	Very high	94	Very high	112 Å²	112	65.3 Å²	65.3	68%	0.679	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.4	-178.1	68	0	0	0	0	113.4	Y935	Y935-V937 HydrophobicContact CD1-CB 4.39Å; Y935-V937 HydrophobicContact CE1-CB 3.93Å; Y935-V937 HydrophobicContact CE1-CG2 4.2Å
938	H	92.2	Very high	94	Very high	145 Å²	145	63.6 Å²	63.6	67%	0.671	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-43.6	-177.6	-176.5	60.4	0	0	0	111.5	N936 K940	N936-H938 VanDerWaalsContact C-N 3.29Å; N936-H938 PolarHBondContact O-N 2.97Å; N936-H938 PolarHBondContact OD1-N 2.92Å; H938-K940 VanDerWaalsContact C-N 3.3Å
939	L	94.2	Very high	94.1	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.063	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.9	178.6	-60.3	175.1	0	0	0	112.9	N787 L789 N936 K941	N787-L939 WeakPolarHBondContact O-CD1 3.48Å; L789-L939 HydrophobicContact CB-CD2 4.04Å; L789-L939 HydrophobicContact CD1-CD2 4.39Å; N936-L939 HydrophobicContact CB-CB 4.31Å; N936-L939 WeakPolarHBondContact ND2-CD1 3.21Å; N936-L939 PolarHBondContact OD1-N 3.23Å; L939-K941 HydrophobicContact CB-CB 4.08Å; L939-K941 PolarHBondContact O-N 3.4Å
940	K	93.7	Very high	94.3	Very high	74 Å²	74	58.9 Å²	58.9	32%	0.322	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	48.5	-171.9	-61.9	-175.3	-179.2	-171.6	0	111	G909 A910 E911 N936 H938	G909-K940 CarbonylContact C-O 3.45Å; G909-K940 WeakPolarHBondContact CA-O 3.34Å; G909-K940 PolarHBondContact N-O 3.35Å; A910-K940 PolarHBondContact N-O 2.87Å; A910-K940 CarbonylContact O-C 3.58Å; A910-K940 WeakPolarHBondContact O-CB 3.39Å; E911-K940 VanDerWaalsContact CD-NZ 3.32Å; E911-K940 IonicContact OE1-NZ 3.9Å; E911-K940 PolarHBondContact OE1-NZ 3.09Å; E911-K940 VanDerWaalsContact OE1-NZ 3.15Å; E911-K940 WeakPolarHBondContact OE2-CE 3.26Å; E911-K940 IonicContact OE2-NZ 2.83Å; E911-K940 PolarHBondContact OE2-NZ 2.89Å; N936-K940 WeakPolarHBondContact O-CA 3.29Å; N936-K940 PolarHBondContact O-N 3.38Å; H938-K940 VanDerWaalsContact C-N 3.3Å
941	K	95.3	Very high	94.6	Very high	29 Å²	29	59.6 Å²	59.6	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.6	-173	-175.5	165.9	77.4	174.4	0	110.5	N787 E906 L907 L908 Y935 N936 L939	N787-K941 WeakPolarHBondContact O-CD 3.5Å; N787-K941 WeakPolarHBondContact O-CE 3.14Å; N787-K941 PolarHBondContact O-NZ 2.93Å; E906-K941 HydrophobicContact CG-CD 4.12Å; E906-K941 HydrophobicContact CG-CG 4.18Å; E906-K941 WeakPolarHBondContact OE2-CD 3.36Å; E906-K941 IonicContact OE2-NZ 2.72Å; L907-K941 WeakPolarHBondContact O-CA 3.33Å; L908-K941 HydrophobicContact CD2-CD 3.57Å; L908-K941 HydrophobicContact CD2-CG 3.94Å; Y935-K941 CarbonylContact C-O 3.56Å; Y935-K941 WeakPolarHBondContact CA-O 3.35Å; Y935-K941 WeakPolarHBondContact CD2-O 3.44Å; N936-K941 HydrophobicContact CB-CB 4.32Å; N936-K941 PolarHBondContact N-O 3.26Å; N936-K941 PolarHBondContact O-N 2.76Å; N936-K941 VanDerWaalsContact O-N 3.08Å; L939-K941 HydrophobicContact CB-CB 4.08Å; L939-K941 PolarHBondContact O-N 3.4Å
942	L	96	Very high	94.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.9	176.1	170.5	66.2	0	0	0	109	E906 L907 A910 A914 V933 L934 Y935 I944 F967	E906-L942 CarbonylContact C-O 3.48Å; E906-L942 WeakPolarHBondContact CA-O 3.45Å; L907-L942 HydrophobicContact CB-CB 4.21Å; L907-L942 HydrophobicContact CD1-CB 4.44Å; L907-L942 HydrophobicContact CD1-CD2 4.09Å; L907-L942 HydrophobicContact CD1-CG 4.21Å; L907-L942 PolarHBondContact N-O 2.97Å; L907-L942 PolarHBondContact O-N 3.07Å; A910-L942 HydrophobicContact CB-CB 3.75Å; A914-L942 HydrophobicContact CB-CD1 3.91Å; A914-L942 HydrophobicContact CB-CD2 3.71Å; A914-L942 HydrophobicContact CB-CG 4.49Å; V933-L942 HydrophobicContact CG1-CD1 3.73Å; L934-L942 WeakPolarHBondContact O-CA 3.42Å; Y935-L942 HydrophobicContact CD2-CB 4.11Å; L942-I944 HydrophobicContact CD1-CG1 4.37Å; L942-I944 HydrophobicContact CD2-CD1 4.42Å; L942-I944 HydrophobicContact CG-CG1 4.29Å; L942-F967 HydrophobicContact CD2-CE1 3.98Å
943	T	96.6	Very high	94.4	Very high	25 Å²	25	52.8 Å²	52.8	15%	0.153	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.9	175.4	-50.3	0	0	0	0	108.6	T904 V933 L934 A945	T904-T943 HydrophobicContact CG2-CG2 3.8Å; V933-T943 WeakPolarHBondContact CA-O 3.45Å; L934-T943 PolarHBondContact N-O 2.89Å; L934-T943 PolarHBondContact O-N 3.28Å; T943-A945 HydrophobicContact CG2-CB 4.38Å
944	I	97.5	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	111	171.3	-55.5	175.8	0	0	0	106.8	T904 V905 V919 L928 N932 V933 L942 L949 W965	T904-I944 WeakPolarHBondContact CA-O 3.28Å; V905-I944 PolarHBondContact N-O 3.2Å; V905-I944 PolarHBondContact O-N 3.31Å; V919-I944 HydrophobicContact CG2-CD1 4.49Å; L928-I944 HydrophobicContact CD1-CG2 4.04Å; N932-I944 CarbonylContact O-C 3.51Å; N932-I944 WeakPolarHBondContact O-CA 3.27Å; V933-I944 HydrophobicContact CG2-CG1 4.49Å; V933-I944 HydrophobicContact CG2-CG2 4.48Å; L942-I944 HydrophobicContact CD1-CG1 4.37Å; L942-I944 HydrophobicContact CD2-CD1 4.42Å; L942-I944 HydrophobicContact CG-CG1 4.29Å; I944-L949 HydrophobicContact CG2-CD1 3.81Å; I944-L949 HydrophobicContact CG2-CD2 4.04Å; I944-W965 HydrophobicContact CD1-CB 4.39Å; I944-W965 HydrophobicContact CD1-CD2 3.76Å; I944-W965 HydrophobicContact CD1-CE3 3.89Å; I944-W965 HydrophobicContact CD1-CG 3.98Å
945	A	96.8	Very high	94	Very high	35 Å²	35	49.7 Å²	49.7	29%	0.289	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.2	-175	0	0	0	0	0	111.8	Y903 T904 N932 T943	Y903-A945 CarbonylContact O-C 3.53Å; Y903-A945 WeakPolarHBondContact O-CA 3.31Å; T904-A945 HydrophobicContact CG2-CB 4.25Å; N932-A945 WeakPolarHBondContact CA-O 3.47Å; N932-A945 WeakPolarHBondContact CB-O 3.47Å; N932-A945 PolarHBondContact ND2-O 3.41Å; N932-A945 PolarHBondContact O-N 2.74Å; T943-A945 HydrophobicContact CG2-CB 4.38Å
946	K	95.6	Very high	93.7	Very high	56 Å²	56	51.6 Å²	51.6	24%	0.243	28%	0.275	C	S	.	.			trans	-152.5	136.2	174.7	-178.9	-178.6	172.9	173.5	0	109.2	Y903 I926 E927 L928 K948 L949	Y903-K946 WeakPolarHBondContact CA-O 3.24Å; Y903-K946 PolarHBondContact O-N 2.68Å; I926-K946 HydrophobicContact CG2-CD 3.85Å; E927-K946 PolarHBondContact O-NZ 3.12Å; L928-K946 HydrophobicContact CD2-CB 3.86Å; L928-K946 HydrophobicContact CD2-CD 3.61Å; L928-K946 HydrophobicContact CD2-CG 4.25Å; K946-K948 PolarHBondContact O-N 3.37Å; K946-L949 HydrophobicContact CB-CB 4.4Å; K946-L949 HydrophobicContact CB-CD1 4Å; K946-L949 WeakPolarHBondContact O-CB 3.43Å; K946-L949 PolarHBondContact O-N 3.2Å
947	P	95.3	Very high	93.5	Very high	84 Å²	84	52.8 Å²	52.8	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	126.9	168.6	-26.7	35.7	0	0	0	111.1	Y903	Y903-P947 HydrophobicContact CD2-CB 4.36Å; Y903-P947 HydrophobicContact CE1-CB 4.1Å; Y903-P947 HydrophobicContact CE2-CB 3.87Å; Y903-P947 HydrophobicContact CE2-CG 4.22Å
948	K	92.9	Very high	93.2	Very high	135 Å²	135	51.2 Å²	51.2	59%	0.587	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	52.2	-173	-54.5	-175.6	174.8	-171.4	0	111.7	D901 Y903 K946 V950	D901-K948 HydrophobicContact CB-CG 4.1Å; D901-K948 WeakPolarHBondContact OD2-CE 3.29Å; D901-K948 WeakPolarHBondContact OD2-CG 3.35Å; Y903-K948 HydrophobicContact CE1-CG 4.22Å; K946-K948 PolarHBondContact O-N 3.37Å; K948-V950 PolarHBondContact O-N 3.38Å
949	L	95.8	Very high	93.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-54.8	-40.9	-179.3	177.9	62.4	0	0	0	110.7	L902 V905 I926 L928 I944 K946 L963	L902-L949 WeakPolarHBondContact O-CB 3.29Å; L902-L949 PolarHBondContact O-N 3.03Å; V905-L949 HydrophobicContact CB-CD2 4.33Å; V905-L949 HydrophobicContact CG2-CD2 3.91Å; I926-L949 HydrophobicContact CD1-CD1 4.21Å; I926-L949 WeakPolarHBondContact CD1-O 3.45Å; L928-L949 HydrophobicContact CD2-CD1 4.36Å; I944-L949 HydrophobicContact CG2-CD1 3.81Å; I944-L949 HydrophobicContact CG2-CD2 4.04Å; K946-L949 HydrophobicContact CB-CB 4.4Å; K946-L949 HydrophobicContact CB-CD1 4Å; K946-L949 WeakPolarHBondContact O-CB 3.43Å; K946-L949 PolarHBondContact O-N 3.2Å; L949-L963 HydrophobicContact CD2-CD2 4.22Å
950	V	94.5	Very high	93.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.273	C	S	.	.	S	Bend	trans	-126.2	151.1	171	-57.3	0	0	0	0	110.1	L902 W921 K948 W952 L963	L902-V950 HydrophobicContact CB-CG2 3.8Å; L902-V950 HydrophobicContact CD2-CG2 3.64Å; L902-V950 HydrophobicContact CG-CG2 4.11Å; W921-V950 HydrophobicContact CD2-CB 3.8Å; W921-V950 HydrophobicContact CD2-CG1 3.81Å; W921-V950 HydrophobicContact CE3-CB 3.88Å; W921-V950 HydrophobicContact CE3-CG1 3.48Å; W921-V950 VanDerWaalsContact CE3-CG1 3.48Å; W921-V950 HydrophobicContact CG-CB 4.36Å; W921-V950 HydrophobicContact CG-CG1 4.37Å; W921-V950 HydrophobicContact CH2-CB 4.11Å; W921-V950 HydrophobicContact CH2-CG1 4.37Å; W921-V950 HydrophobicContact CZ2-CB 4.03Å; W921-V950 HydrophobicContact CZ3-CB 4.04Å; W921-V950 HydrophobicContact CZ3-CG1 3.81Å; K948-V950 PolarHBondContact O-N 3.38Å; V950-W952 VanDerWaalsContact C-N 3.35Å; V950-W952 HydrophobicContact CG2-CB 4.08Å; V950-W952 HydrophobicContact CG2-CD2 4.42Å; V950-W952 HydrophobicContact CG2-CG 4.14Å; V950-W952 PolarHBondContact O-N 3.12Å; V950-L963 HydrophobicContact CG1-CB 4.29Å; V950-L963 HydrophobicContact CG1-CD1 4.03Å; V950-L963 HydrophobicContact CG1-CD2 4.15Å; V950-L963 HydrophobicContact CG1-CG 4.4Å
951	D	91.1	Very high	93.3	Very high	87 Å²	87	47.7 Å²	47.7	47%	0.465	26%	0.263	S	S	.	.			trans	-96.7	63.3	172.5	-173.1	6.1	0	0	0	110.2	N953 S954	D951-N953 PolarHBondContact O-N 2.91Å; D951-S954 PolarHBondContact O-N 3.16Å; D951-S954 PolarHBondContact O-OG 3.11Å; D951-S954 PolarHBondContact OD1-N 2.97Å; D951-S954 WeakPolarHBondContact OD2-CB 3.22Å
952	W	93.3	Very high	93.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-71.2	-16.2	177.7	64.3	-2.7	0	0	0	113.3	F833 L851 F868 F870 F883 L899 P900 L902 V950 S954 M955	F833-W952 HydrophobicContact CB-CH2 3.63Å; F833-W952 HydrophobicContact CB-CZ2 3.71Å; F833-W952 HydrophobicContact CD1-CH2 4.32Å; F833-W952 AromaticContact CD2-CH2 3.76Å; F833-W952 HydrophobicContact CD2-CH2 3.76Å; F833-W952 AromaticContact CD2-CZ2 3.47Å; F833-W952 HydrophobicContact CD2-CZ2 3.47Å; F833-W952 VanDerWaalsContact CD2-CZ2 3.47Å; F833-W952 HydrophobicContact CE2-CH2 4.45Å; F833-W952 HydrophobicContact CE2-CZ2 4.26Å; F833-W952 AromaticContact CG-CH2 3.65Å; F833-W952 HydrophobicContact CG-CH2 3.65Å; F833-W952 AromaticContact CG-CZ2 3.76Å; F833-W952 HydrophobicContact CG-CZ2 3.76Å; L851-W952 HydrophobicContact CD2-CH2 4.03Å; L851-W952 HydrophobicContact CD2-CZ3 4.29Å; F868-W952 HydrophobicContact CE1-CB 4.49Å; F868-W952 HydrophobicContact CE1-CE3 4.18Å; F868-W952 HydrophobicContact CZ-CD2 4.46Å; F868-W952 HydrophobicContact CZ-CE3 4.23Å; F870-W952 HydrophobicContact CE1-CZ3 4.35Å; F870-W952 HydrophobicContact CZ-CZ3 4.21Å; F883-W952 HydrophobicContact CD1-CE3 4.17Å; F883-W952 HydrophobicContact CE1-CE3 4Å; F883-W952 HydrophobicContact CE1-CZ3 4.41Å; L899-W952 HydrophobicContact CD1-CZ2 4.49Å; L899-W952 HydrophobicContact CD2-CD2 4.38Å; L899-W952 HydrophobicContact CD2-CZ2 4.44Å; L899-W952 HydrophobicContact CG-CZ2 4.38Å; P900-W952 WeakPolarHBondContact O-CZ2 3.32Å; P900-W952 PolarHBondContact O-NE1 3.12Å; L902-W952 HydrophobicContact CB-CD2 4Å; L902-W952 HydrophobicContact CB-CE3 4.21Å; L902-W952 HydrophobicContact CB-CH2 3.92Å; L902-W952 HydrophobicContact CB-CZ2 3.69Å; L902-W952 HydrophobicContact CB-CZ3 4.17Å; L902-W952 HydrophobicContact CD2-CE3 4.32Å; L902-W952 HydrophobicContact CD2-CZ3 4.24Å; V950-W952 VanDerWaalsContact C-N 3.35Å; V950-W952 HydrophobicContact CG2-CB 4.08Å; V950-W952 HydrophobicContact CG2-CD2 4.42Å; V950-W952 HydrophobicContact CG2-CG 4.14Å; V950-W952 PolarHBondContact O-N 3.12Å; W952-S954 PolarHBondContact O-N 2.68Å; W952-M955 HydrophobicContact CB-SD 4.05Å; W952-M955 WeakPolarHBondContact O-CB 3.35Å; W952-M955 PolarHBondContact O-N 2.8Å; W952-M955 VanDerWaalsContact O-N 3.17Å
953	N	89.7	Confident	93.5	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-70	-25.7	175.1	-84.6	-53.9	0	0	0	111.2	L899 D901 D951 M955	L899-N953 WeakPolarHBondContact CB-OD1 3.45Å; L899-N953 PolarHBondContact O-ND2 3.26Å; L899-N953 PolarHBondContact O-OD1 2.88Å; D901-N953 PolarHBondContact OD1-ND2 3.1Å; D951-N953 PolarHBondContact O-N 2.91Å; N953-M955 VanDerWaalsContact C-N 3.3Å
954	S	89.6	Confident	93.5	Very high	49 Å²	49	49.6 Å²	49.6	34%	0.343	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-75.9	-9.6	171.8	74.8	0	0	0	0	115.2	D951 W952 K961	D951-S954 PolarHBondContact O-N 3.16Å; D951-S954 PolarHBondContact O-OG 3.11Å; D951-S954 PolarHBondContact OD1-N 2.97Å; D951-S954 WeakPolarHBondContact OD2-CB 3.22Å; W952-S954 PolarHBondContact O-N 2.68Å; S954-K961 PolarHBondContact OG-NZ 2.93Å
955	M	92.3	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.			trans	-68.9	138.4	-178.8	-69.4	176.6	70.6	0	0	110.7	F868 F883 L885 K887 W921 W952 N953 D959 K961	F868-M955 HydrophobicContact CE1-SD 4.34Å; F883-M955 HydrophobicContact CB-CE 3.99Å; F883-M955 HydrophobicContact CB-SD 4.22Å; F883-M955 WeakPolarHBondContact O-CE 3.31Å; L885-M955 HydrophobicContact CB-CE 3.89Å; L885-M955 HydrophobicContact CD2-CB 3.61Å; K887-M955 WeakPolarHBondContact CE-O 3.22Å; K887-M955 PolarHBondContact NZ-O 3.14Å; W921-M955 HydrophobicContact CH2-SD 4.2Å; W921-M955 HydrophobicContact CZ2-SD 4.19Å; W952-M955 HydrophobicContact CB-SD 4.05Å; W952-M955 WeakPolarHBondContact O-CB 3.35Å; W952-M955 PolarHBondContact O-N 2.8Å; W952-M955 VanDerWaalsContact O-N 3.17Å; N953-M955 VanDerWaalsContact C-N 3.3Å; M955-D959 WeakPolarHBondContact CA-OD2 3.4Å; M955-D959 HydrophobicContact CB-CB 4.05Å; M955-D959 HydrophobicContact CE-CB 3.92Å; M955-D959 VanDerWaalsContact CE-O 3.3Å; M955-D959 WeakPolarHBondContact CE-O 3.39Å; M955-D959 HydrophobicContact CG-CB 4.37Å; M955-K961 HydrophobicContact CE-CB 4.1Å; M955-K961 HydrophobicContact CE-CG 4.15Å; M955-K961 HydrophobicContact CG-CD 3.62Å; M955-K961 HydrophobicContact CG-CG 4.12Å; M955-K961 HydrophobicContact SD-CB 4.22Å; M955-K961 HydrophobicContact SD-CD 4.26Å; M955-K961 HydrophobicContact SD-CG 4.32Å
956	N	89.4	Confident	93.2	Very high	103 Å²	103	51.3 Å²	51.3	55%	0.551	27%	0.27	S	S	*	.			trans	-96	-179.8	173.6	-63.9	-55.9	0	0	0	111.8	S958 D959	N956-S958 PolarHBondContact O-N 3.09Å; N956-D959 PolarHBondContact N-OD2 3.08Å; N956-D959 WeakPolarHBondContact O-CB 3.44Å; N956-D959 PolarHBondContact O-N 3.27Å
957	Q	89	Confident	92.9	Very high	93 Å²	93	49.3 Å²	49.3	44%	0.435	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	129	177.3	179.3	61.1	24.6	0	0	111.1	K887 D959	K887-Q957 PolarHBondContact O-OE1 2.74Å; Q957-D959 PolarHBondContact O-N 3.11Å; Q957-D959 VanDerWaalsContact O-N 3.17Å
958	S	85.9	Confident	92.3	Very high	78 Å²	78	49.3 Å²	49.3	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	17	178.4	-54.3	0	0	0	0	114.2	L885 N956	L885-S958 VanDerWaalsContact O-CA 3.23Å; L885-S958 WeakPolarHBondContact O-CA 3.36Å; L885-S958 PolarHBondContact O-N 3.21Å; N956-S958 PolarHBondContact O-N 3.09Å
959	D	89.9	Confident	91	Very high	44 Å²	44	48.1 Å²	48.1	24%	0.235	28%	0.282	C	S	.	.			trans	-63.7	136.9	170	-85.8	12.8	0	0	0	109.6	L885 M955 N956 Q957	L885-D959 PolarHBondContact N-O 3.29Å; M955-D959 WeakPolarHBondContact CA-OD2 3.4Å; M955-D959 HydrophobicContact CB-CB 4.05Å; M955-D959 HydrophobicContact CE-CB 3.92Å; M955-D959 VanDerWaalsContact CE-O 3.3Å; M955-D959 WeakPolarHBondContact CE-O 3.39Å; M955-D959 HydrophobicContact CG-CB 4.37Å; N956-D959 PolarHBondContact N-OD2 3.08Å; N956-D959 WeakPolarHBondContact O-CB 3.44Å; N956-D959 PolarHBondContact O-N 3.27Å; Q957-D959 PolarHBondContact O-N 3.11Å; Q957-D959 VanDerWaalsContact O-N 3.17Å
960	V	96	Very high	90.7	Very high	85 Å²	85	50.3 Å²	50.3	52%	0.515	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.7	168.6	-177.3	0	0	0	0	107.6	T882 F883	T882-V960 HydrophobicContact CG2-CG1 3.45Å; T882-V960 VanDerWaalsContact CG2-CG1 3.45Å; F883-V960 VanDerWaalsContact O-CA 3.31Å; F883-V960 WeakPolarHBondContact O-CA 3.48Å
961	K	97.6	Very high	90.5	Very high	29 Å²	29	52.9 Å²	52.9	13%	0.126	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.4	177.1	-66.5	-167	-174.4	177.6	0	110.5	F883 W921 D922 S954 M955	F883-K961 PolarHBondContact N-O 2.99Å; F883-K961 PolarHBondContact O-N 3.34Å; W921-K961 HydrophobicContact CH2-CB 3.38Å; W921-K961 HydrophobicContact CH2-CD 4.31Å; W921-K961 HydrophobicContact CH2-CG 4.45Å; W921-K961 HydrophobicContact CZ2-CB 3.56Å; W921-K961 HydrophobicContact CZ2-CD 3.57Å; W921-K961 HydrophobicContact CZ2-CG 4.19Å; W921-K961 HydrophobicContact CZ3-CB 3.98Å; D922-K961 HydrophobicContact CB-CB 4.47Å; D922-K961 HydrophobicContact CB-CD 4.42Å; D922-K961 HydrophobicContact CB-CG 4.47Å; S954-K961 PolarHBondContact OG-NZ 2.93Å; M955-K961 HydrophobicContact CE-CB 4.1Å; M955-K961 HydrophobicContact CE-CG 4.15Å; M955-K961 HydrophobicContact CG-CD 3.62Å; M955-K961 HydrophobicContact CG-CG 4.12Å; M955-K961 HydrophobicContact SD-CB 4.22Å; M955-K961 HydrophobicContact SD-CD 4.26Å; M955-K961 HydrophobicContact SD-CG 4.32Å
962	T	97.2	Very high	90.5	Very high	12 Å²	12	51 Å²	51	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.8	-173.3	-48.7	0	0	0	0	112	S880 L881 D922 R964	S880-T962 WeakPolarHBondContact OG-CG2 3.4Å; L881-T962 CarbonylContact O-C 3.07Å; L881-T962 WeakPolarHBondContact O-CA 3.14Å; L881-T962 WeakPolarHBondContact O-CG2 3.45Å; D922-T962 PolarHBondContact N-O 3.13Å; T962-R964 HydrophobicContact CG2-CG 3.63Å
963	L	97.4	Very high	90.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.5	164.2	179.6	67.3	0	0	0	108.6	L881 F883 V905 V919 T920 W921 I926 L949 V950 W965	L881-L963 HydrophobicContact CB-CB 4.38Å; L881-L963 PolarHBondContact N-O 2.95Å; L881-L963 PolarHBondContact O-N 3.22Å; F883-L963 HydrophobicContact CE2-CB 3.98Å; V905-L963 HydrophobicContact CG2-CD2 3.88Å; V919-L963 HydrophobicContact CG1-CD1 3.72Å; T920-L963 CarbonylContact O-C 3.54Å; T920-L963 WeakPolarHBondContact O-CA 3.44Å; W921-L963 HydrophobicContact CE3-CB 3.97Å; W921-L963 HydrophobicContact CZ3-CB 4.21Å; I926-L963 HydrophobicContact CD1-CD1 3.46Å; I926-L963 VanDerWaalsContact CD1-CD1 3.46Å; L949-L963 HydrophobicContact CD2-CD2 4.22Å; V950-L963 HydrophobicContact CG1-CB 4.29Å; V950-L963 HydrophobicContact CG1-CD1 4.03Å; V950-L963 HydrophobicContact CG1-CD2 4.15Å; V950-L963 HydrophobicContact CG1-CG 4.4Å; L963-W965 HydrophobicContact CD2-CZ3 4.09Å; L963-W965 HydrophobicContact CG-CE3 4.18Å; L963-W965 HydrophobicContact CG-CZ3 4.04Å
964	R	96.4	Very high	90.4	Very high	81 Å²	81	53.3 Å²	53.3	31%	0.306	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.6	179.8	-58.7	-175.6	178.8	105	7	111.5	E878 G879 V919 T920 T962	E878-R964 HydrophobicContact CG-CB 4.35Å; E878-R964 WeakPolarHBondContact OE1-CD 3.49Å; E878-R964 IonicContact OE1-NE 3.96Å; G879-R964 CarbonylContact O-C 3.29Å; G879-R964 VanDerWaalsContact O-CA 3.3Å; G879-R964 WeakPolarHBondContact O-CA 3.31Å; V919-R964 CarbonylContact C-O 3.46Å; V919-R964 WeakPolarHBondContact CA-O 3.47Å; V919-R964 WeakPolarHBondContact CG1-O 3.18Å; T920-R964 PolarHBondContact N-O 3.01Å; T920-R964 PolarHBondContact O-N 3.05Å; T962-R964 HydrophobicContact CG2-CG 3.63Å
965	W	95.1	Very high	90.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.9	168.3	59.3	87.6	0	0	0	111.4	I837 Y872 E878 G879 L881 L907 A914 N918 V919 I944 L963 F967	I837-W965 HydrophobicContact CD1-CH2 4.39Å; Y872-W965 HydrophobicContact CD2-CH2 4.01Å; Y872-W965 HydrophobicContact CD2-CZ2 4.25Å; Y872-W965 AromaticContact CE2-CH2 3.54Å; Y872-W965 HydrophobicContact CE2-CH2 3.54Å; Y872-W965 AromaticContact CE2-CZ2 3.34Å; Y872-W965 HydrophobicContact CE2-CZ2 3.34Å; Y872-W965 AromaticContact CZ-CZ2 3.96Å; E878-W965 CarbonylContact C-O 3.6Å; E878-W965 WeakPolarHBondContact CA-O 3.48Å; G879-W965 PolarHBondContact N-O 2.04Å; G879-W965 PolarHBondContact O-N 2.79Å; L881-W965 HydrophobicContact CB-CH2 4.24Å; L881-W965 HydrophobicContact CB-CZ3 4.16Å; L907-W965 HydrophobicContact CD1-CH2 4.11Å; L907-W965 HydrophobicContact CD1-CZ2 3.79Å; L907-W965 HydrophobicContact CD2-CH2 4.08Å; L907-W965 HydrophobicContact CD2-CZ2 3.43Å; L907-W965 VanDerWaalsContact CD2-CZ2 3.43Å; L907-W965 HydrophobicContact CG-CZ2 4.24Å; A914-W965 HydrophobicContact CB-CG 4.3Å; N918-W965 WeakPolarHBondContact O-CA 3.26Å; V919-W965 HydrophobicContact CB-CB 4.39Å; V919-W965 HydrophobicContact CG1-CB 4.35Å; V919-W965 HydrophobicContact CG2-CB 3.79Å; I944-W965 HydrophobicContact CD1-CB 4.39Å; I944-W965 HydrophobicContact CD1-CD2 3.76Å; I944-W965 HydrophobicContact CD1-CE3 3.89Å; I944-W965 HydrophobicContact CD1-CG 3.98Å; L963-W965 HydrophobicContact CD2-CZ3 4.09Å; L963-W965 HydrophobicContact CG-CE3 4.18Å; L963-W965 HydrophobicContact CG-CZ3 4.04Å; W965-F967 AromaticContact CD1-CE1 3.96Å; W965-F967 AromaticContact NE1-CE1 3.48Å; W965-F967 AromaticContact NE1-CE2 3.94Å; W965-F967 AromaticContact NE1-CZ 3.29Å; W965-F967 VanDerWaalsContact NE1-CZ 3.29Å
966	H	92.9	Very high	90.3	Very high	71 Å²	71	57.4 Å²	57.4	33%	0.329	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.2	174.2	-68.1	-72.7	0	0	0	111.7	E878 A914 K915 N918	E878-H966 IonicContact OE2-CE1 3.4Å; E878-H966 PolarHBondContact OE2-CE1 3.07Å; E878-H966 IonicContact OE2-ND1 3.07Å; E878-H966 IonicContact OE2-NE2 3.98Å; E878-H966 PolarHBondContact OE2-NE2 2.89Å; A914-H966 WeakPolarHBondContact CA-O 3.19Å; K915-H966 PolarHBondContact N-O 3.09Å; N918-H966 HydrophobicContact CB-CB 4.02Å
967	F	89.3	Confident	90.4	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	153.5	170.2	-63.3	-71	0	0	0	111.4	V874 N877 R912 P913 L942 W965 G969	V874-F967 HydrophobicContact CG1-CD2 4.48Å; V874-F967 HydrophobicContact CG1-CE2 4.05Å; V874-F967 HydrophobicContact CG2-CE2 4.23Å; N877-F967 HydrophobicContact CB-CB 4.42Å; N877-F967 WeakPolarHBondContact O-CD2 3.46Å; N877-F967 PolarHBondContact O-N 3.24Å; R912-F967 HydrophobicContact CB-CB 4.06Å; R912-F967 HydrophobicContact CB-CD1 4.24Å; R912-F967 HydrophobicContact CB-CG 4.38Å; R912-F967 WeakPolarHBondContact O-CD1 3.4Å; R912-F967 WeakPolarHBondContact O-CE1 3.43Å; P913-F967 CarbonylContact O-C 3.48Å; P913-F967 WeakPolarHBondContact O-CA 3.48Å; L942-F967 HydrophobicContact CD2-CE1 3.98Å; W965-F967 AromaticContact CD1-CE1 3.96Å; W965-F967 AromaticContact NE1-CE1 3.48Å; W965-F967 AromaticContact NE1-CE2 3.94Å; W965-F967 AromaticContact NE1-CZ 3.29Å; W965-F967 VanDerWaalsContact NE1-CZ 3.29Å; F967-G969 PolarHBondContact O-N 3.18Å
968	L	82.7	Confident	90.5	Very high	84 Å²	84	50.7 Å²	50.7	44%	0.44	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-67.3	117.4	166.1	-75.3	165.1	0	0	0	107.8	R912 P913 K915	R912-L968 WeakPolarHBondContact CD-O 3.47Å; P913-L968 HydrophobicContact CB-CD1 4.03Å; P913-L968 HydrophobicContact CG-CB 4.13Å; P913-L968 HydrophobicContact CG-CD1 3.67Å; P913-L968 HydrophobicContact CG-CG 4.39Å; P913-L968 PolarHBondContact O-N 3.16Å; K915-L968 HydrophobicContact CD-CD2 4.21Å; K915-L968 HydrophobicContact CG-CD2 3.58Å; K915-L968 HydrophobicContact CG-CG 3.84Å
969	G	65.4	Low	90.9	Very high	109 Å²	109	48.2 Å²	48.2	100%	1.124	29%	0.292	S	S	*	.			trans	-70.4	0	178.1	0	0	0	0	0	112.8	F967	F967-G969 PolarHBondContact O-N 3.18Å

Retrieved 969 of 969 residues in 1226.5 ms (Link to these results)

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