A0A096NE89_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB , UniProt , Accession A0A096NE89, Species PAPAN (Papio anubis, Olive baboon), Gene USP33, Length 911 aa.

						>A0A096NE89_PAPAN|A0A096NE89|USP33
MSAFRNHCPHLDSVGEITKEDLIQKSHGTCQDCKVRGPNLWACLENRCSYVGCGESQVDHSTIHSQETKHYLTVNLTTLRVWCYACSKEVFLDRKLGTQPSLPHVRQPHQIQENSVQDFKIPSNTTLKTPLVAVFDDLDIEVDEEDELRARGLTGLKNIGNTCYMNAALQALSNCPPLTQFFLDCGGLARTDKKPAICKSYLKLMTELWHKSRPGSVVPTNLFQGIKTVNPTFRGYSQQDAQEFLRCLMDLLHEELKEQVMEVEEDPQTITTEETMEEDKSQSDVDFQSCESCSNSDKAENENGSRGFSEDNNETTMLIQDDENNSEMSKDWQKEKICNKINKVNSEGELDKDRDSISETVDLNNQETVKVQIHSRASEYITDVHSNDLSTPQILPSNEGVNPRLSASPPKSGNLWPGLAPPHKKAQSASPKRKKQHKKYRSVISDIFDGTIISSVQCLTCDRVSVTLETFQDLSLPIPGKEDLAKLHSSSHPTSIVKAGSCGEAYAPQGWIAFFMEYVKRFVVSCVPSWFWGPVVTLQDCLAAFFARDELKGDNMYSCEKCKKLRNGVKFCKVQKFPEILCIHLKRFRHELMFSTKISTHVSFPLEGLDLQPFLAKDSPAQIVTYDLLSVICHHGTASSGHYIAYCRNNLNNLWYEFDDQSVTEVSESTVQNAEAYVLFYRKSSEEAQKERRRISNLLNIMEPSLLQFYISRQWLNKFKTFAEPGPISNNDFLCIHGGVPPRKAGYIEDLVLMLPQNIWDNLYSRYGGGPAVNHLYICHTCQIEAEKIEKRRKTELEIFIRLNRAFQEEDSPATFYCISMQWFREWESFVKGKDGDPPGPIDNTKIAVTKCGNVILRQGADSGQISEETWNFLQSIYGGGPEVILRPPVVHVDPDILQAEEKIEVETRSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	55.8	Low	250 Å²	250	115.9 Å²	115.9	100%	1.232	60%	0.601	S	S	*	*				0	106.2	0	-77	170.7	160.4	0	0	108.2
2	S	29.1	Very low	57.5	Low	111 Å²	111	118.3 Å²	118.3	78%	0.776	62%	0.615	S	S	*	*			trans	-162.2	13.1	179.7	48.6	0	0	0	0	113.2	F4	S2-F4 VanDerWaalsContact C-N 3.27Å; S2-F4 PolarHBondContact O-N 3.34Å
3	A	31.4	Very low	58.8	Low	92 Å²	92	111.8 Å²	111.8	76%	0.76	59%	0.586	S	S	*	*			trans	-86.3	35	-163.5	0	0	0	0	0	115
4	F	32.3	Very low	60.2	Low	181 Å²	181	107 Å²	107	79%	0.794	56%	0.564	S	S	*	*			trans	-144.9	89.7	175.6	-73.5	-74.9	0	0	0	110.5	S2	S2-F4 VanDerWaalsContact C-N 3.27Å; S2-F4 PolarHBondContact O-N 3.34Å
5	R	40.8	Very low	60.9	Low	236 Å²	236	100.5 Å²	100.5	89%	0.891	53%	0.532	S	S	*	.			trans	-137.2	2.6	173.5	-100.7	-171.1	175.8	-166.7	-2	115.1
6	N	51.2	Low	61.4	Low	108 Å²	108	107 Å²	107	58%	0.578	56%	0.559	S	S	*	*			trans	-95.2	-22.6	-168.7	-72.5	5.3	0	0	0	115.4	K88	N6-K88 PolarHBondContact O-NZ 3.38Å
7	H	69.3	Low	62	Low	118 Å²	118	103.9 Å²	103.9	55%	0.546	54%	0.542	S	S	.	.	S	Bend	trans	-61.7	138.5	177.6	-61.2	-52.3	0	0	0	111.4	D93	H7-D93 IonicContact CE1-OD2 2.76Å; H7-D93 PolarHBondContact CE1-OD2 3.23Å; H7-D93 IonicContact ND1-OD2 3.91Å; H7-D93 PolarHBondContact ND1-OD2 2.92Å
8	C	79.6	Confident	62.6	Low	4 Å²	4	101.8 Å²	101.8	3%	0.027	54%	0.535	C	S	.	.			trans	-84.9	125	174.6	-179.6	0	0	0	0	109.5	H10 L11 C83 C86 V90	C8-H10 PolarHBondContact O-N 3.27Å; C8-H10 PolarHBondContact SG-ND1 3.37Å; C8-L11 HydrophobicContact CB-CG 4.24Å; C8-L11 WeakPolarHBondContact O-CB 3.49Å; C8-L11 WeakPolarHBondContact O-CG 3.36Å; C8-L11 PolarHBondContact O-N 3.14Å; C8-L11 VanDerWaalsContact O-N 3.11Å; C8-C83 PolarHBondContact SG-SG 2.6Å; C8-C86 VanDerWaalsContact SG-SG 3.65Å; C8-V90 HydrophobicContact CB-CG1 3.77Å; C8-V90 HydrophobicContact CB-CG2 3.84Å
9	P	82.5	Confident	62.9	Low	93 Å²	93	102.9 Å²	102.9	60%	0.604	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-66	-20.8	-177.9	28.4	-35.8	0	0	0	112.8	L11	P9-L11 PolarHBondContact O-N 3.09Å
10	H	86.5	Confident	63.4	Low	47 Å²	47	103.3 Å²	103.3	22%	0.218	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-70.6	-13	176.6	-49.2	110.2	0	0	0	113	C8 D12 S13 Y71 L72 C83 A85 C86	C8-H10 PolarHBondContact O-N 3.27Å; C8-H10 PolarHBondContact SG-ND1 3.37Å; H10-D12 PolarHBondContact O-N 2.98Å; H10-D12 VanDerWaalsContact O-N 3.15Å; H10-S13 PolarHBondContact O-N 2.9Å; H10-S13 PolarHBondContact O-OG 3.32Å; H10-S13 VanDerWaalsContact O-OG 3.09Å; H10-Y71 AromaticContact CD2-CD2 3.77Å; H10-L72 HydrophobicContact CB-CD1 4.09Å; H10-L72 HydrophobicContact CB-CG 4.13Å; H10-L72 WeakPolarHBondContact O-CD1 3.44Å; H10-C83 PolarHBondContact ND1-SG 3.46Å; H10-A85 VanDerWaalsContact CE1-CB 3.4Å; H10-A85 WeakPolarHBondContact CE1-CB 3.33Å; H10-C86 VanDerWaalsContact CE1-SG 3.58Å
11	L	81.8	Confident	64	Low	35 Å²	35	101.7 Å²	101.7	18%	0.183	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24.2	176.6	-76	178.3	0	0	0	113.3	C8 P9 S13 V14 L72 V90 L92	C8-L11 HydrophobicContact CB-CG 4.24Å; C8-L11 WeakPolarHBondContact O-CB 3.49Å; C8-L11 WeakPolarHBondContact O-CG 3.36Å; C8-L11 PolarHBondContact O-N 3.14Å; C8-L11 VanDerWaalsContact O-N 3.11Å; P9-L11 PolarHBondContact O-N 3.09Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 3.34Å; L11-V14 HydrophobicContact CD2-CG2 4.37Å; L11-V14 WeakPolarHBondContact O-CB 3.39Å; L11-V14 WeakPolarHBondContact O-CG2 3.28Å; L11-V14 PolarHBondContact O-N 3.32Å; L11-L72 HydrophobicContact CD2-CD1 4.2Å; L11-V90 HydrophobicContact CD1-CG1 3.77Å; L11-V90 HydrophobicContact CD2-CG1 3.71Å; L11-V90 HydrophobicContact CG-CG1 3.84Å; L11-L92 HydrophobicContact CD2-CD2 3.68Å
12	D	76.5	Confident	66.4	Low	144 Å²	144	91.5 Å²	91.5	77%	0.77	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-77	-5.9	176.6	-65.7	-44.1	0	0	0	113.6	H10	H10-D12 PolarHBondContact O-N 2.98Å; H10-D12 VanDerWaalsContact O-N 3.15Å
13	S	74.6	Confident	68.5	Low	35 Å²	35	89.6 Å²	89.6	25%	0.245	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-94	-5.8	171.9	83	0	0	0	0	114.3	H10 L11 G15 E45 N46	H10-S13 PolarHBondContact O-N 2.9Å; H10-S13 PolarHBondContact O-OG 3.32Å; H10-S13 VanDerWaalsContact O-OG 3.09Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 3.34Å; S13-G15 PolarHBondContact O-N 3.03Å; S13-E45 WeakPolarHBondContact CB-OE1 3.45Å; S13-E45 VanDerWaalsContact CB-OE2 3.28Å; S13-E45 WeakPolarHBondContact CB-OE2 3.25Å; S13-E45 PolarHBondContact OG-OE2 3.04Å; S13-N46 PolarHBondContact O-N 3.12Å
14	V	78.4	Confident	70.6	Confident	44 Å²	44	92.3 Å²	92.3	27%	0.267	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-63.1	122.9	178.3	177.7	0	0	0	0	110.3	L11 L44 L72	L11-V14 HydrophobicContact CD2-CG2 4.37Å; L11-V14 WeakPolarHBondContact O-CB 3.39Å; L11-V14 WeakPolarHBondContact O-CG2 3.28Å; L11-V14 PolarHBondContact O-N 3.32Å; V14-L44 HydrophobicContact CG1-CB 4.38Å; V14-L44 HydrophobicContact CG2-CB 4.35Å; V14-L44 HydrophobicContact CG2-CD1 4.41Å; V14-L72 HydrophobicContact CG2-CD1 3.41Å; V14-L72 VanDerWaalsContact CG2-CD1 3.41Å
15	G	70	Confident	72.9	Confident	9 Å²	9	85.5 Å²	85.5	9%	0.093	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-72.5	162.5	174.9	0	0	0	0	0	113.2	S13 I17 L44	S13-G15 PolarHBondContact O-N 3.03Å; G15-I17 PolarHBondContact O-N 3.33Å; G15-I17 VanDerWaalsContact O-N 3.14Å; G15-L44 PolarHBondContact N-O 3.47Å
16	E	69.6	Low	74.4	Confident	205 Å²	205	76.3 Å²	76.3	96%	0.958	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-61.5	116.5	165.2	-68.3	-173.4	158.9	0	0	109.3
17	I	70.8	Confident	75.6	Confident	54 Å²	54	78 Å²	78	28%	0.277	40%	0.4	S	S	.	.			trans	-129.9	121.2	-177.9	-74.6	171	0	0	0	107.6	G15 L22 L44	G15-I17 PolarHBondContact O-N 3.33Å; G15-I17 VanDerWaalsContact O-N 3.14Å; I17-L22 HydrophobicContact CG2-CD1 4.05Å; I17-L22 HydrophobicContact CG2-CD2 3.8Å; I17-L22 HydrophobicContact CG2-CG 3.66Å; I17-L44 HydrophobicContact CD1-CB 4.39Å; I17-L44 HydrophobicContact CD1-CD2 3.55Å
18	T	73.6	Confident	76.2	Confident	67 Å²	67	73.7 Å²	73.7	41%	0.411	39%	0.388	S	S	.	.			trans	-80.8	160.7	179.3	72.1	0	0	0	0	111.3	E20 D21 L22	T18-E20 PolarHBondContact O-N 2.64Å; T18-E20 PolarHBondContact OG1-N 3.18Å; T18-D21 WeakPolarHBondContact CB-OD2 3.4Å; T18-D21 WeakPolarHBondContact CG2-OD2 3.5Å; T18-D21 PolarHBondContact N-OD2 2.63Å; T18-D21 VanDerWaalsContact N-OD2 3.09Å; T18-D21 PolarHBondContact O-N 3.01Å; T18-D21 PolarHBondContact OG1-N 3.41Å; T18-D21 PolarHBondContact OG1-OD2 3.09Å; T18-L22 PolarHBondContact O-N 3.29Å
19	K	68.4	Low	76.6	Confident	123 Å²	123	75.4 Å²	75.4	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-35.4	172	-177.9	-175.5	179.1	-177.9	0	110.3	L22 I23	K19-L22 PolarHBondContact O-N 3.4Å; K19-I23 HydrophobicContact CG-CD1 3.98Å; K19-I23 VanDerWaalsContact O-CG1 3.28Å; K19-I23 WeakPolarHBondContact O-CG1 3.43Å; K19-I23 PolarHBondContact O-N 3.34Å
20	E	72.4	Confident	76.9	Confident	110 Å²	110	71 Å²	71	51%	0.514	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-39	-178.8	-67	58.6	-131.9	0	0	111.2	T18 I23 Q24	T18-E20 PolarHBondContact O-N 2.64Å; T18-E20 PolarHBondContact OG1-N 3.18Å; E20-I23 PolarHBondContact O-N 3.45Å; E20-Q24 WeakPolarHBondContact O-CG 3.47Å; E20-Q24 PolarHBondContact O-N 3.23Å
21	D	75.8	Confident	77.1	Confident	69 Å²	69	72.5 Å²	72.5	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-43.2	172.5	-66.1	-54.4	0	0	0	111.8	T18 I23 Q24 K25	T18-D21 WeakPolarHBondContact CB-OD2 3.4Å; T18-D21 WeakPolarHBondContact CG2-OD2 3.5Å; T18-D21 PolarHBondContact N-OD2 2.63Å; T18-D21 VanDerWaalsContact N-OD2 3.09Å; T18-D21 PolarHBondContact O-N 3.01Å; T18-D21 PolarHBondContact OG1-N 3.41Å; T18-D21 PolarHBondContact OG1-OD2 3.09Å; D21-I23 VanDerWaalsContact C-N 3.35Å; D21-Q24 PolarHBondContact O-N 2.98Å; D21-K25 WeakPolarHBondContact O-CB 3.36Å; D21-K25 WeakPolarHBondContact O-CG 3.45Å; D21-K25 PolarHBondContact O-N 2.95Å
22	L	79.6	Confident	77.5	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.188	39%	0.389	C	S	.	.	H	α-helix	trans	-65.6	-38.4	176.9	-66.7	175.9	0	0	0	111.6	I17 T18 K19 K25 S26 V74 L76	I17-L22 HydrophobicContact CG2-CD1 4.05Å; I17-L22 HydrophobicContact CG2-CD2 3.8Å; I17-L22 HydrophobicContact CG2-CG 3.66Å; T18-L22 PolarHBondContact O-N 3.29Å; K19-L22 PolarHBondContact O-N 3.4Å; L22-K25 PolarHBondContact O-N 2.99Å; L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 2.69Å; L22-S26 PolarHBondContact O-OG 3.41Å; L22-V74 HydrophobicContact CD2-CG1 3.69Å; L22-L76 HydrophobicContact CD2-CD2 4Å
23	I	73.1	Confident	78	Confident	71 Å²	71	70.4 Å²	70.4	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-65.2	-38.9	173.6	-69.6	165.3	0	0	0	111.2	K19 E20 D21 S26 H27	K19-I23 HydrophobicContact CG-CD1 3.98Å; K19-I23 VanDerWaalsContact O-CG1 3.28Å; K19-I23 WeakPolarHBondContact O-CG1 3.43Å; K19-I23 PolarHBondContact O-N 3.34Å; E20-I23 PolarHBondContact O-N 3.45Å; D21-I23 VanDerWaalsContact C-N 3.35Å; I23-S26 PolarHBondContact O-OG 2.74Å; I23-S26 VanDerWaalsContact O-OG 3.04Å; I23-H27 PolarHBondContact O-ND1 3.43Å
24	Q	75.9	Confident	78.6	Confident	149 Å²	149	75.1 Å²	75.1	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-67.9	-43.9	174.4	-72	-174.2	31.7	0	0	111.8	E20 D21 S26 H27	E20-Q24 WeakPolarHBondContact O-CG 3.47Å; E20-Q24 PolarHBondContact O-N 3.23Å; D21-Q24 PolarHBondContact O-N 2.98Å; Q24-S26 VanDerWaalsContact C-N 3.34Å; Q24-S26 PolarHBondContact O-N 3.42Å; Q24-H27 PolarHBondContact O-N 3.35Å
25	K	80.5	Confident	78.8	Confident	38 Å²	38	75.1 Å²	75.1	17%	0.165	39%	0.385	C	S	.	.	H	α-helix	trans	-61.6	-38.1	176.7	-73.5	-178.9	179.1	-178.1	0	112	D21 L22 H27 G28 A42 C48 V51 L76	D21-K25 WeakPolarHBondContact O-CB 3.36Å; D21-K25 WeakPolarHBondContact O-CG 3.45Å; D21-K25 PolarHBondContact O-N 2.95Å; L22-K25 PolarHBondContact O-N 2.99Å; K25-H27 VanDerWaalsContact C-N 3.34Å; K25-H27 PolarHBondContact O-N 2.98Å; K25-G28 PolarHBondContact O-N 3.13Å; K25-G28 VanDerWaalsContact O-N 3.09Å; K25-A42 HydrophobicContact CD-CB 3.68Å; K25-C48 PolarHBondContact NZ-O 3.42Å; K25-V51 HydrophobicContact CB-CG2 4.19Å; K25-V51 HydrophobicContact CD-CG2 4.09Å; K25-V51 HydrophobicContact CG-CG2 4.08Å; K25-L76 HydrophobicContact CB-CD1 3.91Å; K25-L76 HydrophobicContact CB-CD2 3.67Å; K25-L76 HydrophobicContact CB-CG 4.46Å
26	S	73.4	Confident	79.1	Confident	43 Å²	43	83.6 Å²	83.6	30%	0.301	41%	0.414	S	S	.	.	H	α-helix	trans	-69.1	-25.1	-176.7	71.1	0	0	0	0	114.8	L22 I23 Q24 G28 L76	L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 2.69Å; L22-S26 PolarHBondContact O-OG 3.41Å; I23-S26 PolarHBondContact O-OG 2.74Å; I23-S26 VanDerWaalsContact O-OG 3.04Å; Q24-S26 VanDerWaalsContact C-N 3.34Å; Q24-S26 PolarHBondContact O-N 3.42Å; S26-G28 PolarHBondContact O-N 2.88Å; S26-L76 WeakPolarHBondContact CB-O 3.38Å
27	H	75.8	Confident	79.1	Confident	143 Å²	143	75.8 Å²	75.8	66%	0.662	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.4	172.6	-69.1	84.8	0	0	0	113.6	I23 Q24 K25	I23-H27 PolarHBondContact O-ND1 3.43Å; Q24-H27 PolarHBondContact O-N 3.35Å; K25-H27 VanDerWaalsContact C-N 3.34Å; K25-H27 PolarHBondContact O-N 2.98Å
28	G	80.7	Confident	78.9	Confident	29 Å²	29	75 Å²	75	30%	0.299	39%	0.387	S	S	.	.	S	Bend	trans	-81.7	-156.4	-175.1	0	0	0	0	0	115.4	K25 S26	K25-G28 PolarHBondContact O-N 3.13Å; K25-G28 VanDerWaalsContact O-N 3.09Å; S26-G28 PolarHBondContact O-N 2.88Å
29	T	87.6	Confident	79	Confident	40 Å²	40	73.1 Å²	73.1	25%	0.245	38%	0.375	C	S	.	.			trans	-130.3	163.3	170.5	66.5	0	0	0	0	108.8	Q31 K34 V35 R36	T29-Q31 PolarHBondContact O-N 3.37Å; T29-K34 WeakPolarHBondContact CB-O 3.29Å; T29-K34 WeakPolarHBondContact CG2-O 3.24Å; T29-V35 WeakPolarHBondContact CA-O 3.4Å; T29-R36 HydrophobicContact CG2-CG 3.75Å
30	C	89.7	Confident	80	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.35	C	S	.	.			trans	-51.4	136.1	157.3	173.9	0	0	0	0	109.2	D32 C33 K34 V35 L40 V51 C53	C30-D32 VanDerWaalsContact C-N 3.26Å; C30-D32 PolarHBondContact O-N 2.9Å; C30-C33 VanDerWaalsContact SG-SG 3.61Å; C30-K34 VanDerWaalsContact O-CA 3.29Å; C30-K34 WeakPolarHBondContact O-CA 3.39Å; C30-K34 PolarHBondContact O-N 3.41Å; C30-V35 PolarHBondContact N-O 3.31Å; C30-L40 HydrophobicContact CB-CD2 3.87Å; C30-L40 VanDerWaalsContact N-CD2 3.35Å; C30-V51 WeakPolarHBondContact CA-O 3.47Å; C30-C53 HydrophobicContact CB-CB 3.92Å; C30-C53 PolarHBondContact SG-N 3.35Å; C30-C53 VanDerWaalsContact SG-N 3.43Å
31	Q	91.7	Very high	80.8	Confident	78 Å²	78	63.5 Å²	63.5	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.9	-174.3	-69.9	-178.2	8.1	0	0	112.2	T29 K34 S49 Y50 V51	T29-Q31 PolarHBondContact O-N 3.37Å; Q31-K34 WeakPolarHBondContact O-CE 3.28Å; Q31-K34 PolarHBondContact O-NZ 3.28Å; Q31-S49 PolarHBondContact NE2-O 3.06Å; Q31-Y50 HydrophobicContact CB-CD2 4.39Å; Q31-Y50 HydrophobicContact CB-CE2 4.08Å; Q31-V51 HydrophobicContact CG-CB 4.4Å; Q31-V51 PolarHBondContact N-O 3.32Å
32	D	89.6	Confident	81.6	Confident	84 Å²	84	60.2 Å²	60.2	45%	0.449	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-73.7	-176.9	-48.6	-77.2	0	0	0	111.3	C30 K34 Y50 H60	C30-D32 VanDerWaalsContact C-N 3.26Å; C30-D32 PolarHBondContact O-N 2.9Å; D32-K34 VanDerWaalsContact C-N 3.32Å; D32-K34 PolarHBondContact O-N 2.87Å; D32-Y50 WeakPolarHBondContact OD2-CE2 3.28Å; D32-Y50 PolarHBondContact OD2-OH 3.11Å; D32-H60 IonicContact OD2-CG 2.7Å
33	C	86.8	Confident	82.1	Confident	51 Å²	51	58.5 Å²	58.5	35%	0.345	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.5	-175.9	67.2	0	0	0	0	115.6	C30 V35 C53 H60	C30-C33 VanDerWaalsContact SG-SG 3.61Å; C33-V35 HydrophobicContact CB-CG2 4.42Å; C33-V35 PolarHBondContact O-N 3.43Å; C33-V35 VanDerWaalsContact SG-CG2 3.57Å; C33-C53 PolarHBondContact SG-SG 3.15Å; C33-H60 VanDerWaalsContact SG-CE1 3.6Å
34	K	87.7	Confident	82.9	Confident	134 Å²	134	55.4 Å²	55.4	58%	0.583	29%	0.288	S	S	*	.			trans	58.7	11.4	176.9	-46.5	-52.8	-176.7	-173.5	0	116.6	T29 C30 Q31 D32	T29-K34 WeakPolarHBondContact CB-O 3.29Å; T29-K34 WeakPolarHBondContact CG2-O 3.24Å; C30-K34 VanDerWaalsContact O-CA 3.29Å; C30-K34 WeakPolarHBondContact O-CA 3.39Å; C30-K34 PolarHBondContact O-N 3.41Å; Q31-K34 WeakPolarHBondContact O-CE 3.28Å; Q31-K34 PolarHBondContact O-NZ 3.28Å; D32-K34 VanDerWaalsContact C-N 3.32Å; D32-K34 PolarHBondContact O-N 2.87Å
35	V	81.9	Confident	83.4	Confident	44 Å²	44	50.4 Å²	50.4	27%	0.267	27%	0.265	S	S	.	.			trans	-60.9	145.5	175	174.9	0	0	0	0	111.1	T29 C30 C33 Q57	T29-V35 WeakPolarHBondContact CA-O 3.4Å; C30-V35 PolarHBondContact N-O 3.31Å; C33-V35 HydrophobicContact CB-CG2 4.42Å; C33-V35 PolarHBondContact O-N 3.43Å; C33-V35 VanDerWaalsContact SG-CG2 3.57Å; V35-Q57 HydrophobicContact CG1-CG 4.09Å; V35-Q57 HydrophobicContact CG2-CG 4.31Å
36	R	76.3	Confident	83.3	Confident	188 Å²	188	53.2 Å²	53.2	71%	0.709	28%	0.281	S	S	*	.			trans	-113.7	151.7	169.8	-65.3	-176.5	179.9	-169.3	-2.6	109.8	T29	T29-R36 HydrophobicContact CG2-CG 3.75Å
37	G	69.2	Low	83.6	Confident	40 Å²	40	62.7 Å²	62.7	41%	0.412	31%	0.311	S	S	.	.	S	Bend	trans	150	-176	175.5	0	0	0	0	0	112.4	N39	G37-N39 VanDerWaalsContact C-N 3.28Å; G37-N39 PolarHBondContact O-N 2.98Å
38	P	66.4	Low	84.1	Confident	38 Å²	38	56.9 Å²	56.9	25%	0.247	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.6	-175.3	27.3	-34.1	0	0	0	114.1	L40 N75 T77 Y777	P38-L40 VanDerWaalsContact C-N 3.27Å; P38-L40 PolarHBondContact O-N 3.44Å; P38-N75 PolarHBondContact O-ND2 3.27Å; P38-N75 PolarHBondContact O-OD1 3.29Å; P38-T77 WeakPolarHBondContact CA-OG1 3.45Å; P38-T77 HydrophobicContact CB-CG2 3.93Å; P38-Y777 HydrophobicContact CB-CE1 4.2Å; P38-Y777 HydrophobicContact CB-CE2 4.44Å; P38-Y777 HydrophobicContact CG-CD1 4.43Å; P38-Y777 HydrophobicContact CG-CD2 3.87Å; P38-Y777 HydrophobicContact CG-CE1 4.05Å; P38-Y777 HydrophobicContact CG-CE2 3.45Å; P38-Y777 VanDerWaalsContact CG-CE2 3.45Å; P38-Y777 HydrophobicContact CG-CG 4.34Å
39	N	77.4	Confident	84.4	Confident	28 Å²	28	59.6 Å²	59.6	15%	0.15	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	38.8	-177	-66.7	-16.5	0	0	0	113.3	G37 C53 G54 S56 H737 Y777	G37-N39 VanDerWaalsContact C-N 3.28Å; G37-N39 PolarHBondContact O-N 2.98Å; N39-C53 WeakPolarHBondContact O-CA 3.42Å; N39-G54 PolarHBondContact O-N 3.3Å; N39-S56 WeakPolarHBondContact CB-OG 3.36Å; N39-S56 VanDerWaalsContact ND2-CB 3.35Å; N39-S56 WeakPolarHBondContact ND2-CB 3.16Å; N39-S56 PolarHBondContact ND2-OG 3.28Å; N39-H737 PolarHBondContact ND2-O 3.44Å; N39-Y777 PolarHBondContact OD1-OH 3.09Å
40	L	87.6	Confident	84.6	Confident	4 Å²	4	59 Å²	59	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.1	167.6	-65.6	-178.7	0	0	0	110.2	C30 P38 V51 G52 C53 N75 L76	C30-L40 HydrophobicContact CB-CD2 3.87Å; C30-L40 VanDerWaalsContact N-CD2 3.35Å; P38-L40 VanDerWaalsContact C-N 3.27Å; P38-L40 PolarHBondContact O-N 3.44Å; L40-V51 HydrophobicContact CB-CG1 4.11Å; L40-G52 WeakPolarHBondContact CA-O 3.48Å; L40-C53 HydrophobicContact CD2-CB 4.25Å; L40-N75 WeakPolarHBondContact O-CA 3.34Å; L40-L76 HydrophobicContact CB-CB 4.48Å; L40-L76 HydrophobicContact CB-CD1 3.97Å; L40-L76 PolarHBondContact O-N 3.21Å
41	W	90.8	Very high	84.6	Confident	26 Å²	26	59.3 Å²	59.3	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.1	-175.9	-67.6	87.4	0	0	0	109.8	V51 G52 V74 N75 W82	W41-V51 WeakPolarHBondContact O-CA 3.49Å; W41-G52 PolarHBondContact N-O 3.32Å; W41-G52 PolarHBondContact O-N 3.39Å; W41-V74 CarbonylContact C-O 3.58Å; W41-V74 WeakPolarHBondContact CA-O 3.29Å; W41-N75 HydrophobicContact CD2-CB 3.79Å; W41-N75 HydrophobicContact CE3-CB 3.67Å; W41-N75 VanDerWaalsContact CE3-N 3.31Å; W41-N75 HydrophobicContact CH2-CB 3.82Å; W41-N75 HydrophobicContact CZ2-CB 3.93Å; W41-N75 HydrophobicContact CZ3-CB 3.67Å; W41-W82 HydrophobicContact CE3-CB 4.37Å; W41-W82 HydrophobicContact CH2-CB 4.02Å; W41-W82 HydrophobicContact CZ3-CB 3.6Å
42	A	91.3	Very high	84.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.1	174.7	0	0	0	0	0	110.7	K25 Y50 V51 T73 V74 L76	K25-A42 HydrophobicContact CD-CB 3.68Å; A42-Y50 WeakPolarHBondContact CA-O 3.14Å; A42-V51 HydrophobicContact CB-CG2 4.2Å; A42-T73 CarbonylContact O-C 3.52Å; A42-T73 WeakPolarHBondContact O-CA 3.33Å; A42-T73 WeakPolarHBondContact O-CB 3.31Å; A42-V74 HydrophobicContact CB-CG1 4.03Å; A42-V74 PolarHBondContact N-O 2.66Å; A42-V74 PolarHBondContact O-N 3.47Å; A42-L76 HydrophobicContact CB-CD1 4.02Å; A42-L76 HydrophobicContact CB-CD2 3.8Å; A42-L76 HydrophobicContact CB-CG 3.94Å
43	C	90.8	Very high	84.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.2	169.6	-169.8	0	0	0	0	111.2	E45 C48 Y50 H70	C43-E45 VanDerWaalsContact SG-CB 3.58Å; C43-C48 HydrophobicContact CB-CB 3.93Å; C43-C48 VanDerWaalsContact CB-SG 3.59Å; C43-C48 VanDerWaalsContact SG-SG 3.63Å; C43-Y50 PolarHBondContact N-O 3.32Å; C43-H70 VanDerWaalsContact SG-CB 3.52Å; C43-H70 PolarHBondContact SG-ND1 3.1Å; C43-H70 VanDerWaalsContact SG-ND1 3.4Å
44	L	89.3	Confident	84.2	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.037	24%	0.242	C	C	.	.			trans	-98.6	-13.3	176	-69.6	-177.2	0	0	0	113.8	V14 G15 I17 L72 V74 V81	V14-L44 HydrophobicContact CG1-CB 4.38Å; V14-L44 HydrophobicContact CG2-CB 4.35Å; V14-L44 HydrophobicContact CG2-CD1 4.41Å; G15-L44 PolarHBondContact N-O 3.47Å; I17-L44 HydrophobicContact CD1-CB 4.39Å; I17-L44 HydrophobicContact CD1-CD2 3.55Å; L44-L72 HydrophobicContact CB-CB 4Å; L44-L72 HydrophobicContact CD1-CB 4.25Å; L44-L72 PolarHBondContact N-O 2.77Å; L44-V74 HydrophobicContact CD1-CB 4.2Å; L44-V74 HydrophobicContact CD2-CB 3.88Å; L44-V74 HydrophobicContact CD2-CG1 3.54Å; L44-V74 HydrophobicContact CG-CB 4.11Å; L44-V74 HydrophobicContact CG-CG1 4.14Å; L44-V81 HydrophobicContact CD1-CB 4.35Å; L44-V81 HydrophobicContact CD1-CG1 3.52Å; L44-V81 HydrophobicContact CD1-CG2 3.88Å
45	E	86.6	Confident	83.2	Confident	43 Å²	43	50.7 Å²	50.7	20%	0.201	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-58.9	140.8	-179.2	-171	57.4	-134.3	0	0	111.2	S13 C43 R47 C48 H70	S13-E45 WeakPolarHBondContact CB-OE1 3.45Å; S13-E45 VanDerWaalsContact CB-OE2 3.28Å; S13-E45 WeakPolarHBondContact CB-OE2 3.25Å; S13-E45 PolarHBondContact OG-OE2 3.04Å; C43-E45 VanDerWaalsContact SG-CB 3.58Å; E45-R47 PolarHBondContact O-N 3.49Å; E45-C48 HydrophobicContact CB-CB 4.25Å; E45-C48 VanDerWaalsContact O-CB 3.25Å; E45-C48 WeakPolarHBondContact O-CB 3.39Å; E45-C48 PolarHBondContact O-N 2.95Å; E45-H70 HydrophobicContact CB-CB 3.84Å; E45-H70 HydrophobicContact CG-CB 4.2Å
46	N	79	Confident	82.3	Confident	97 Å²	97	49.8 Å²	49.8	52%	0.519	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	127.4	-171.1	-164.9	-15.1	0	0	0	112.3	S13 C48	S13-N46 PolarHBondContact O-N 3.12Å; N46-C48 VanDerWaalsContact C-N 3.27Å; N46-C48 PolarHBondContact O-N 2.93Å
47	R	79.6	Confident	81.9	Confident	242 Å²	242	45.6 Å²	45.6	91%	0.913	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	8.2	-174.7	-44.6	-174.4	177.8	-150.6	-5.4	116.3	E45	E45-R47 PolarHBondContact O-N 3.49Å
48	C	86.8	Confident	82.4	Confident	21 Å²	21	47.8 Å²	47.8	14%	0.142	24%	0.24	C	C	.	.			trans	-85.3	122.7	175.7	-162	0	0	0	0	112.8	K25 C43 E45 N46 H70	K25-C48 PolarHBondContact NZ-O 3.42Å; C43-C48 HydrophobicContact CB-CB 3.93Å; C43-C48 VanDerWaalsContact CB-SG 3.59Å; C43-C48 VanDerWaalsContact SG-SG 3.63Å; E45-C48 HydrophobicContact CB-CB 4.25Å; E45-C48 VanDerWaalsContact O-CB 3.25Å; E45-C48 WeakPolarHBondContact O-CB 3.39Å; E45-C48 PolarHBondContact O-N 2.95Å; N46-C48 VanDerWaalsContact C-N 3.27Å; N46-C48 PolarHBondContact O-N 2.93Å; C48-H70 PolarHBondContact SG-ND1 3.4Å
49	S	86.8	Confident	83.3	Confident	86 Å²	86	47 Å²	47	60%	0.601	23%	0.234	S	C	*	.			trans	-98.9	5	175.9	58.4	0	0	0	0	113.9	Q31	Q31-S49 PolarHBondContact NE2-O 3.06Å
50	Y	90.7	Very high	84	Confident	28 Å²	28	47.3 Å²	47.3	11%	0.11	23%	0.234	C	C	.	.			trans	-64.7	144.9	-175.4	-177.9	-100.9	0	0	0	113.3	Q31 D32 A42 C43 G52 H60 H64	Q31-Y50 HydrophobicContact CB-CD2 4.39Å; Q31-Y50 HydrophobicContact CB-CE2 4.08Å; D32-Y50 WeakPolarHBondContact OD2-CE2 3.28Å; D32-Y50 PolarHBondContact OD2-OH 3.11Å; A42-Y50 WeakPolarHBondContact CA-O 3.14Å; C43-Y50 PolarHBondContact N-O 3.32Å; Y50-G52 VanDerWaalsContact CE1-N 3.28Å; Y50-G52 WeakPolarHBondContact OH-CA 3.21Å; Y50-H60 WeakPolarHBondContact OH-CB 3.4Å; Y50-H60 PolarHBondContact OH-O 3.2Å; Y50-H64 HydrophobicContact CD1-CB 3.73Å; Y50-H64 AromaticContact CD1-CD2 3.77Å; Y50-H64 AromaticContact CD1-CE1 3.93Å; Y50-H64 AromaticContact CD1-CG 3.31Å; Y50-H64 AromaticContact CD1-ND1 3.43Å; Y50-H64 WeakPolarHBondContact CD1-ND1 3.39Å; Y50-H64 AromaticContact CD2-ND1 3.97Å; Y50-H64 HydrophobicContact CE1-CB 3.34Å; Y50-H64 AromaticContact CE1-CG 3.52Å; Y50-H64 AromaticContact CE1-ND1 3.91Å; Y50-H64 AromaticContact CG-CE1 3.85Å; Y50-H64 AromaticContact CG-CG 3.88Å; Y50-H64 AromaticContact CG-ND1 3.46Å
51	V	91.8	Very high	84.1	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	109	175.1	-178.8	0	0	0	0	109.5	K25 C30 Q31 L40 W41 A42 L76	K25-V51 HydrophobicContact CB-CG2 4.19Å; K25-V51 HydrophobicContact CD-CG2 4.09Å; K25-V51 HydrophobicContact CG-CG2 4.08Å; C30-V51 WeakPolarHBondContact CA-O 3.47Å; Q31-V51 HydrophobicContact CG-CB 4.4Å; Q31-V51 PolarHBondContact N-O 3.32Å; L40-V51 HydrophobicContact CB-CG1 4.11Å; W41-V51 WeakPolarHBondContact O-CA 3.49Å; A42-V51 HydrophobicContact CB-CG2 4.2Å; V51-L76 HydrophobicContact CG1-CD1 3.64Å; V51-L76 HydrophobicContact CG2-CD1 4.26Å
52	G	90.1	Very high	84	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	171.8	175	0	0	0	0	0	112.5	L40 W41 Y50	L40-G52 WeakPolarHBondContact CA-O 3.48Å; W41-G52 PolarHBondContact N-O 3.32Å; W41-G52 PolarHBondContact O-N 3.39Å; Y50-G52 VanDerWaalsContact CE1-N 3.28Å; Y50-G52 WeakPolarHBondContact OH-CA 3.21Å
53	C	88.1	Confident	84	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149.2	158.6	59.7	0	0	0	0	109.7	C30 C33 N39 L40 D59 H60 S61	C30-C53 HydrophobicContact CB-CB 3.92Å; C30-C53 PolarHBondContact SG-N 3.35Å; C30-C53 VanDerWaalsContact SG-N 3.43Å; C33-C53 PolarHBondContact SG-SG 3.15Å; N39-C53 WeakPolarHBondContact O-CA 3.42Å; L40-C53 HydrophobicContact CD2-CB 4.25Å; C53-D59 CarbonylContact O-C 3.6Å; C53-D59 WeakPolarHBondContact O-CA 3.48Å; C53-H60 PolarHBondContact O-N 3.16Å; C53-H60 PolarHBondContact SG-ND1 2.94Å; C53-S61 PolarHBondContact O-N 2.92Å; C53-S61 PolarHBondContact O-OG 3.39Å
54	G	80.1	Confident	84.1	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.021	26%	0.258	C	S	.	.			trans	-85.1	-175	177.5	0	0	0	0	0	115	N39 S56 Q57 D59 S61	N39-G54 PolarHBondContact O-N 3.3Å; G54-S56 PolarHBondContact O-N 3.24Å; G54-Q57 PolarHBondContact O-N 3.14Å; G54-Q57 VanDerWaalsContact O-N 3.14Å; G54-D59 WeakPolarHBondContact CA-OD1 3.29Å; G54-S61 WeakPolarHBondContact CA-OG 3.38Å
55	E	68	Low	84.2	Confident	162 Å²	162	51.3 Å²	51.3	76%	0.757	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.9	-39.7	-179.3	-64.4	179.3	164.6	0	0	116.1	Q57	E55-Q57 PolarHBondContact O-N 2.93Å
56	S	62.3	Low	84.5	Confident	25 Å²	25	56.1 Å²	56.1	18%	0.175	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	2.3	178.3	60.6	0	0	0	0	116.6	N39 G54	N39-S56 WeakPolarHBondContact CB-OG 3.36Å; N39-S56 VanDerWaalsContact ND2-CB 3.35Å; N39-S56 WeakPolarHBondContact ND2-CB 3.16Å; N39-S56 PolarHBondContact ND2-OG 3.28Å; G54-S56 PolarHBondContact O-N 3.24Å
57	Q	67.8	Low	85.1	Confident	100 Å²	100	59 Å²	59	47%	0.467	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	-80.8	176	-68.7	-66.4	-73.2	0	0	112	V35 G54 E55	V35-Q57 HydrophobicContact CG1-CG 4.09Å; V35-Q57 HydrophobicContact CG2-CG 4.31Å; G54-Q57 PolarHBondContact O-N 3.14Å; G54-Q57 VanDerWaalsContact O-N 3.14Å; E55-Q57 PolarHBondContact O-N 2.93Å
58	V	79.4	Confident	85.7	Confident	87 Å²	87	50 Å²	50	53%	0.527	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	-2.1	-173.7	-170.2	0	0	0	0	111.3	H60	V58-H60 PolarHBondContact O-N 2.82Å
59	D	85.6	Confident	85.9	Confident	22 Å²	22	55.7 Å²	55.7	12%	0.118	29%	0.285	C	S	.	.			trans	45.6	54.1	-174.5	-151.6	-9.1	0	0	0	117.2	C53 G54 S61 T62 I63	C53-D59 CarbonylContact O-C 3.6Å; C53-D59 WeakPolarHBondContact O-CA 3.48Å; G54-D59 WeakPolarHBondContact CA-OD1 3.29Å; D59-S61 PolarHBondContact O-N 3.33Å; D59-S61 VanDerWaalsContact O-N 3.13Å; D59-S61 PolarHBondContact OD1-N 3.26Å; D59-S61 PolarHBondContact OD1-OG 2.66Å; D59-T62 PolarHBondContact O-N 3.39Å; D59-T62 VanDerWaalsContact O-N 3.1Å; D59-T62 PolarHBondContact OD1-N 3.43Å; D59-T62 PolarHBondContact OD1-OG1 3.19Å; D59-T62 VanDerWaalsContact OD2-CB 3.31Å; D59-T62 WeakPolarHBondContact OD2-CB 3.42Å; D59-T62 PolarHBondContact OD2-OG1 3.48Å; D59-I63 WeakPolarHBondContact O-CG1 3.45Å; D59-I63 PolarHBondContact O-N 2.85Å; D59-I63 VanDerWaalsContact O-N 3.09Å
60	H	91.3	Very high	86.2	Confident	33 Å²	33	53.8 Å²	53.8	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-19.1	172	-56.7	98.6	0	0	0	112.7	D32 C33 Y50 C53 V58 H64	D32-H60 IonicContact OD2-CG 2.7Å; C33-H60 VanDerWaalsContact SG-CE1 3.6Å; Y50-H60 WeakPolarHBondContact OH-CB 3.4Å; Y50-H60 PolarHBondContact OH-O 3.2Å; C53-H60 PolarHBondContact O-N 3.16Å; C53-H60 PolarHBondContact SG-ND1 2.94Å; V58-H60 PolarHBondContact O-N 2.82Å; H60-H64 VanDerWaalsContact O-CB 3.28Å; H60-H64 WeakPolarHBondContact O-CB 3.45Å; H60-H64 PolarHBondContact O-N 3.04Å
61	S	89.5	Confident	86.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.2	-42.1	170.9	33.5	0	0	0	0	113.5	C53 G54 D59 S65 Y84	C53-S61 PolarHBondContact O-N 2.92Å; C53-S61 PolarHBondContact O-OG 3.39Å; G54-S61 WeakPolarHBondContact CA-OG 3.38Å; D59-S61 PolarHBondContact O-N 3.33Å; D59-S61 VanDerWaalsContact O-N 3.13Å; D59-S61 PolarHBondContact OD1-N 3.26Å; D59-S61 PolarHBondContact OD1-OG 2.66Å; S61-S65 PolarHBondContact O-N 3.4Å; S61-S65 VanDerWaalsContact O-N 3.14Å; S61-Y84 WeakPolarHBondContact CB-OH 3.46Å
62	T	89.6	Confident	86.2	Confident	34 Å²	34	55.8 Å²	55.8	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-44.3	171.4	-70	0	0	0	0	111.3	D59 H64 S65 Q66 Y84	D59-T62 PolarHBondContact O-N 3.39Å; D59-T62 VanDerWaalsContact O-N 3.1Å; D59-T62 PolarHBondContact OD1-N 3.43Å; D59-T62 PolarHBondContact OD1-OG1 3.19Å; D59-T62 VanDerWaalsContact OD2-CB 3.31Å; D59-T62 WeakPolarHBondContact OD2-CB 3.42Å; D59-T62 PolarHBondContact OD2-OG1 3.48Å; T62-H64 PolarHBondContact O-N 3.06Å; T62-S65 PolarHBondContact O-N 3.48Å; T62-S65 VanDerWaalsContact O-N 3.14Å; T62-Q66 HydrophobicContact CG2-CG 4.43Å; T62-Q66 WeakPolarHBondContact O-CG 3.41Å; T62-Q66 PolarHBondContact O-N 3.09Å; T62-Y84 WeakPolarHBondContact OG1-CE1 3.22Å
63	I	90.4	Very high	86.3	Confident	64 Å²	64	55.9 Å²	55.9	33%	0.328	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-50.1	177.5	-62.1	170.1	0	0	0	110.5	D59 S65 Q66 E67	D59-I63 WeakPolarHBondContact O-CG1 3.45Å; D59-I63 PolarHBondContact O-N 2.85Å; D59-I63 VanDerWaalsContact O-N 3.09Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 2.94Å; I63-Q66 PolarHBondContact O-N 3.34Å; I63-E67 HydrophobicContact CG2-CG 4.32Å; I63-E67 PolarHBondContact O-N 3.47Å
64	H	92.9	Very high	86.3	Confident	19 Å²	19	56 Å²	56	9%	0.088	28%	0.275	C	S	.	.	H	α-helix	trans	-55.4	-44	175.4	170.8	87.1	0	0	0	112.2	Y50 H60 T62 Q66 E67 T68 H70	Y50-H64 HydrophobicContact CD1-CB 3.73Å; Y50-H64 AromaticContact CD1-CD2 3.77Å; Y50-H64 AromaticContact CD1-CE1 3.93Å; Y50-H64 AromaticContact CD1-CG 3.31Å; Y50-H64 AromaticContact CD1-ND1 3.43Å; Y50-H64 WeakPolarHBondContact CD1-ND1 3.39Å; Y50-H64 AromaticContact CD2-ND1 3.97Å; Y50-H64 HydrophobicContact CE1-CB 3.34Å; Y50-H64 AromaticContact CE1-CG 3.52Å; Y50-H64 AromaticContact CE1-ND1 3.91Å; Y50-H64 AromaticContact CG-CE1 3.85Å; Y50-H64 AromaticContact CG-CG 3.88Å; Y50-H64 AromaticContact CG-ND1 3.46Å; H60-H64 VanDerWaalsContact O-CB 3.28Å; H60-H64 WeakPolarHBondContact O-CB 3.45Å; H60-H64 PolarHBondContact O-N 3.04Å; T62-H64 PolarHBondContact O-N 3.06Å; H64-Q66 VanDerWaalsContact C-N 3.31Å; H64-Q66 PolarHBondContact O-N 3.3Å; H64-E67 PolarHBondContact O-N 3.33Å; H64-T68 PolarHBondContact CE1-OG1 3.43Å; H64-T68 PolarHBondContact NE2-OG1 3.12Å; H64-T68 WeakPolarHBondContact O-CB 3.4Å; H64-T68 PolarHBondContact O-N 2.98Å; H64-T68 PolarHBondContact O-OG1 3.45Å; H64-H70 AromaticContact CE1-ND1 3.86Å; H64-H70 AromaticContact NE2-CG 3.62Å; H64-H70 AromaticContact NE2-ND1 3.41Å; H64-H70 PolarHBondContact NE2-ND1 3.26Å
65	S	92	Very high	86.6	Confident	5 Å²	5	56 Å²	56	4%	0.035	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-30.9	178	-176.8	0	0	0	0	113.2	S61 T62 I63 K69 H70 Y84	S61-S65 PolarHBondContact O-N 3.4Å; S61-S65 VanDerWaalsContact O-N 3.14Å; T62-S65 PolarHBondContact O-N 3.48Å; T62-S65 VanDerWaalsContact O-N 3.14Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 2.94Å; S65-K69 VanDerWaalsContact O-CA 3.24Å; S65-K69 WeakPolarHBondContact O-CA 3.47Å; S65-K69 PolarHBondContact O-N 2.92Å; S65-K69 VanDerWaalsContact O-N 3.12Å; S65-H70 PolarHBondContact OG-O 2.95Å; S65-Y84 VanDerWaalsContact OG-CB 3.31Å; S65-Y84 WeakPolarHBondContact OG-CB 3.38Å; S65-Y84 WeakPolarHBondContact OG-CD2 3.47Å
66	Q	91.8	Very high	87.3	Confident	144 Å²	144	48.8 Å²	48.8	67%	0.673	24%	0.241	S	C	*	.	H	α-helix	trans	-74.1	-44.8	177	-70.6	174.5	-0.3	0	0	111.3	T62 I63 H64	T62-Q66 HydrophobicContact CG2-CG 4.43Å; T62-Q66 WeakPolarHBondContact O-CG 3.41Å; T62-Q66 PolarHBondContact O-N 3.09Å; I63-Q66 PolarHBondContact O-N 3.34Å; H64-Q66 VanDerWaalsContact C-N 3.31Å; H64-Q66 PolarHBondContact O-N 3.3Å
67	E	93.5	Very high	88	Confident	156 Å²	156	50.4 Å²	50.4	73%	0.729	25%	0.25	S	C	*	.	H	α-helix	trans	-70.4	-43.9	-179.6	-68.5	-176.2	168.8	0	0	112.8	I63 H64	I63-E67 HydrophobicContact CG2-CG 4.32Å; I63-E67 PolarHBondContact O-N 3.47Å; H64-E67 PolarHBondContact O-N 3.33Å
68	T	91.3	Very high	88.4	Confident	53 Å²	53	46.1 Å²	46.1	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-97.3	-14.7	-172.1	67.1	0	0	0	0	114.4	H64 H70	H64-T68 PolarHBondContact CE1-OG1 3.43Å; H64-T68 PolarHBondContact NE2-OG1 3.12Å; H64-T68 WeakPolarHBondContact O-CB 3.4Å; H64-T68 PolarHBondContact O-N 2.98Å; H64-T68 PolarHBondContact O-OG1 3.45Å; T68-H70 PolarHBondContact O-CD2 3.09Å; T68-H70 VanDerWaalsContact O-CD2 3.32Å; T68-H70 PolarHBondContact O-N 3.14Å; T68-H70 WeakPolarHBondContact OG1-CB 3.39Å; T68-H70 PolarHBondContact OG1-CD2 2.87Å; T68-H70 VanDerWaalsContact OG1-CD2 3.32Å; T68-H70 PolarHBondContact OG1-N 3.43Å
69	K	90.8	Very high	88.4	Confident	141 Å²	141	46.3 Å²	46.3	61%	0.613	23%	0.228	S	C	*	.			trans	61.2	18.8	-168.1	-56.4	-176.4	-179.9	-175.5	0	114.6	S65 Y71	S65-K69 VanDerWaalsContact O-CA 3.24Å; S65-K69 WeakPolarHBondContact O-CA 3.47Å; S65-K69 PolarHBondContact O-N 2.92Å; S65-K69 VanDerWaalsContact O-N 3.12Å; K69-Y71 HydrophobicContact CB-CE1 4.01Å; K69-Y71 HydrophobicContact CB-CE2 4.33Å; K69-Y71 VanDerWaalsContact O-CD2 3.29Å; K69-Y71 WeakPolarHBondContact O-CD2 3.31Å; K69-Y71 WeakPolarHBondContact O-CE2 3.43Å; K69-Y71 PolarHBondContact O-N 3.4Å
70	H	92.6	Very high	88.2	Confident	47 Å²	47	47 Å²	47	22%	0.218	23%	0.229	C	C	.	.			trans	-77.3	88.4	173.5	-67.6	-160.8	0	0	0	110.3	C43 E45 C48 H64 S65 T68 L72	C43-H70 VanDerWaalsContact SG-CB 3.52Å; C43-H70 PolarHBondContact SG-ND1 3.1Å; C43-H70 VanDerWaalsContact SG-ND1 3.4Å; E45-H70 HydrophobicContact CB-CB 3.84Å; E45-H70 HydrophobicContact CG-CB 4.2Å; C48-H70 PolarHBondContact SG-ND1 3.4Å; H64-H70 AromaticContact CE1-ND1 3.86Å; H64-H70 AromaticContact NE2-CG 3.62Å; H64-H70 AromaticContact NE2-ND1 3.41Å; H64-H70 PolarHBondContact NE2-ND1 3.26Å; S65-H70 PolarHBondContact OG-O 2.95Å; T68-H70 PolarHBondContact O-CD2 3.09Å; T68-H70 VanDerWaalsContact O-CD2 3.32Å; T68-H70 PolarHBondContact O-N 3.14Å; T68-H70 WeakPolarHBondContact OG1-CB 3.39Å; T68-H70 PolarHBondContact OG1-CD2 2.87Å; T68-H70 VanDerWaalsContact OG1-CD2 3.32Å; T68-H70 PolarHBondContact OG1-N 3.43Å; H70-L72 VanDerWaalsContact C-N 3.32Å; H70-L72 PolarHBondContact O-N 3.13Å
71	Y	91.8	Very high	88	Confident	76 Å²	76	45.7 Å²	45.7	30%	0.298	22%	0.223	S	C	.	.			trans	-73.4	-12	-164.4	-58.1	-54.4	0	0	0	116.7	H10 K69 C83 Y84 A85	H10-Y71 AromaticContact CD2-CD2 3.77Å; K69-Y71 HydrophobicContact CB-CE1 4.01Å; K69-Y71 HydrophobicContact CB-CE2 4.33Å; K69-Y71 VanDerWaalsContact O-CD2 3.29Å; K69-Y71 WeakPolarHBondContact O-CD2 3.31Å; K69-Y71 WeakPolarHBondContact O-CE2 3.43Å; K69-Y71 PolarHBondContact O-N 3.4Å; Y71-C83 CarbonylContact O-C 3.56Å; Y71-C83 VanDerWaalsContact O-CA 3.31Å; Y71-C83 WeakPolarHBondContact O-CA 3.22Å; Y71-Y84 PolarHBondContact O-N 2.83Å; Y71-A85 HydrophobicContact CD1-CB 3.53Å; Y71-A85 HydrophobicContact CD2-CB 3.9Å; Y71-A85 HydrophobicContact CE1-CB 3.95Å; Y71-A85 HydrophobicContact CE2-CB 4.3Å; Y71-A85 HydrophobicContact CG-CB 3.48Å; Y71-A85 VanDerWaalsContact CG-CB 3.48Å
72	L	91	Very high	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	-176.2	-72.2	177.4	0	0	0	112.9	H10 L11 V14 L44 H70 V81 W82 C83	H10-L72 HydrophobicContact CB-CD1 4.09Å; H10-L72 HydrophobicContact CB-CG 4.13Å; H10-L72 WeakPolarHBondContact O-CD1 3.44Å; L11-L72 HydrophobicContact CD2-CD1 4.2Å; V14-L72 HydrophobicContact CG2-CD1 3.41Å; V14-L72 VanDerWaalsContact CG2-CD1 3.41Å; L44-L72 HydrophobicContact CB-CB 4Å; L44-L72 HydrophobicContact CD1-CB 4.25Å; L44-L72 PolarHBondContact N-O 2.77Å; H70-L72 VanDerWaalsContact C-N 3.32Å; H70-L72 PolarHBondContact O-N 3.13Å; L72-V81 HydrophobicContact CD2-CG1 4.02Å; L72-W82 WeakPolarHBondContact CA-O 3.05Å; L72-C83 HydrophobicContact CD2-CB 3.54Å
73	T	91.6	Very high	87.9	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.6	171.9	54.6	0	0	0	0	111.5	A42 V81 W82 Y84	A42-T73 CarbonylContact O-C 3.52Å; A42-T73 WeakPolarHBondContact O-CA 3.33Å; A42-T73 WeakPolarHBondContact O-CB 3.31Å; T73-V81 CarbonylContact O-C 3.56Å; T73-V81 VanDerWaalsContact O-CA 3.29Å; T73-V81 WeakPolarHBondContact O-CA 3.31Å; T73-W82 PolarHBondContact N-O 3.3Å; T73-W82 VanDerWaalsContact N-O 3.16Å; T73-W82 PolarHBondContact O-N 3.23Å; T73-Y84 HydrophobicContact CG2-CE2 3.79Å; T73-Y84 WeakPolarHBondContact OG1-CE2 3.43Å
74	V	88.4	Confident	87.8	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.2	170.7	64.3	0	0	0	0	110.2	L22 W41 A42 L44 L76 R80 V81	L22-V74 HydrophobicContact CD2-CG1 3.69Å; W41-V74 CarbonylContact C-O 3.58Å; W41-V74 WeakPolarHBondContact CA-O 3.29Å; A42-V74 HydrophobicContact CB-CG1 4.03Å; A42-V74 PolarHBondContact N-O 2.66Å; A42-V74 PolarHBondContact O-N 3.47Å; L44-V74 HydrophobicContact CD1-CB 4.2Å; L44-V74 HydrophobicContact CD2-CB 3.88Å; L44-V74 HydrophobicContact CD2-CG1 3.54Å; L44-V74 HydrophobicContact CG-CB 4.11Å; L44-V74 HydrophobicContact CG-CG1 4.14Å; V74-L76 PolarHBondContact O-N 3.45Å; V74-R80 WeakPolarHBondContact CA-O 3.47Å; V74-V81 HydrophobicContact CB-CG2 4.07Å; V74-V81 HydrophobicContact CG2-CG2 3.97Å
75	N	86.4	Confident	87.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.6	172.8	178.1	-85.9	0	0	0	110.1	P38 L40 W41 T77 T78 L79 R80	P38-N75 PolarHBondContact O-ND2 3.27Å; P38-N75 PolarHBondContact O-OD1 3.29Å; L40-N75 WeakPolarHBondContact O-CA 3.34Å; W41-N75 HydrophobicContact CD2-CB 3.79Å; W41-N75 HydrophobicContact CE3-CB 3.67Å; W41-N75 VanDerWaalsContact CE3-N 3.31Å; W41-N75 HydrophobicContact CH2-CB 3.82Å; W41-N75 HydrophobicContact CZ2-CB 3.93Å; W41-N75 HydrophobicContact CZ3-CB 3.67Å; N75-T77 PolarHBondContact O-N 2.98Å; N75-T77 PolarHBondContact OD1-N 2.82Å; N75-T77 VanDerWaalsContact OD1-N 3.14Å; N75-T78 VanDerWaalsContact CB-OG1 3.28Å; N75-T78 WeakPolarHBondContact CB-OG1 3.45Å; N75-T78 WeakPolarHBondContact OD1-CB 3.38Å; N75-T78 PolarHBondContact OD1-N 2.94Å; N75-T78 PolarHBondContact OD1-OG1 3Å; N75-L79 VanDerWaalsContact O-CA 3.22Å; N75-L79 WeakPolarHBondContact O-CA 3.29Å; N75-L79 PolarHBondContact O-N 3.47Å; N75-R80 PolarHBondContact N-O 3Å
76	L	84.1	Confident	87.2	Confident	12 Å²	12	49.6 Å²	49.6	6%	0.063	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.9	-168.6	-72.2	165.3	0	0	0	115.2	L22 K25 S26 L40 A42 V51 V74	L22-L76 HydrophobicContact CD2-CD2 4Å; K25-L76 HydrophobicContact CB-CD1 3.91Å; K25-L76 HydrophobicContact CB-CD2 3.67Å; K25-L76 HydrophobicContact CB-CG 4.46Å; S26-L76 WeakPolarHBondContact CB-O 3.38Å; L40-L76 HydrophobicContact CB-CB 4.48Å; L40-L76 HydrophobicContact CB-CD1 3.97Å; L40-L76 PolarHBondContact O-N 3.21Å; A42-L76 HydrophobicContact CB-CD1 4.02Å; A42-L76 HydrophobicContact CB-CD2 3.8Å; A42-L76 HydrophobicContact CB-CG 3.94Å; V51-L76 HydrophobicContact CG1-CD1 3.64Å; V51-L76 HydrophobicContact CG2-CD1 4.26Å; V74-L76 PolarHBondContact O-N 3.45Å
77	T	76.8	Confident	86.9	Confident	58 Å²	58	47.4 Å²	47.4	36%	0.356	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-40.3	174.2	-62.9	0	0	0	0	112.5	P38 N75	P38-T77 WeakPolarHBondContact CA-OG1 3.45Å; P38-T77 HydrophobicContact CB-CG2 3.93Å; N75-T77 PolarHBondContact O-N 2.98Å; N75-T77 PolarHBondContact OD1-N 2.82Å; N75-T77 VanDerWaalsContact OD1-N 3.14Å
78	T	75.8	Confident	86.2	Confident	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.1	-179.3	61.1	0	0	0	0	113.1	N75 R80 N774 H775	N75-T78 VanDerWaalsContact CB-OG1 3.28Å; N75-T78 WeakPolarHBondContact CB-OG1 3.45Å; N75-T78 WeakPolarHBondContact OD1-CB 3.38Å; N75-T78 PolarHBondContact OD1-N 2.94Å; N75-T78 PolarHBondContact OD1-OG1 3Å; T78-R80 PolarHBondContact O-N 2.9Å; T78-R80 PolarHBondContact OG1-NE 2.9Å; T78-R80 VanDerWaalsContact OG1-NE 3.12Å; T78-N774 WeakPolarHBondContact CB-OD1 3.49Å; T78-N774 VanDerWaalsContact O-CG 3.28Å; T78-N774 PolarHBondContact O-ND2 2.88Å; T78-N774 PolarHBondContact O-OD1 3.04Å; T78-H775 HydrophobicContact CG2-CB 4.12Å
79	L	78.8	Confident	85.7	Confident	92 Å²	92	41 Å²	41	48%	0.482	21%	0.211	S	C	.	.			trans	56.5	8.8	-175.5	-53	-179.8	0	0	0	115	N75	N75-L79 VanDerWaalsContact O-CA 3.22Å; N75-L79 WeakPolarHBondContact O-CA 3.29Å; N75-L79 PolarHBondContact O-N 3.47Å
80	R	81.1	Confident	85.3	Confident	37 Å²	37	34.7 Å²	34.7	14%	0.14	18%	0.184	C	C	.	.			trans	-66.7	138.9	173.1	-63.3	-178.2	-54.8	129.1	-7.7	109.7	V74 N75 T78 E89 A772	V74-R80 WeakPolarHBondContact CA-O 3.47Å; N75-R80 PolarHBondContact N-O 3Å; T78-R80 PolarHBondContact O-N 2.9Å; T78-R80 PolarHBondContact OG1-NE 2.9Å; T78-R80 VanDerWaalsContact OG1-NE 3.12Å; R80-E89 HydrophobicContact CB-CG 4.42Å; R80-E89 WeakPolarHBondContact CB-OE1 3.45Å; R80-E89 VanDerWaalsContact CD-OE1 3.27Å; R80-E89 WeakPolarHBondContact CD-OE1 3.28Å; R80-E89 VanDerWaalsContact CG-OE1 3.28Å; R80-E89 WeakPolarHBondContact CG-OE1 3.39Å; R80-E89 IonicContact CZ-OE2 2.67Å; R80-E89 IonicContact NH1-OE2 3.14Å; R80-E89 PolarHBondContact NH1-OE2 3.14Å; R80-A772 WeakPolarHBondContact CD-O 3.28Å; R80-A772 PolarHBondContact NE-O 2.85Å; R80-A772 PolarHBondContact NH1-O 2.96Å
81	V	86.9	Confident	84.5	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.6	179.1	176.8	0	0	0	0	109.5	L44 L72 T73 V74 E89 V90 L92	L44-V81 HydrophobicContact CD1-CB 4.35Å; L44-V81 HydrophobicContact CD1-CG1 3.52Å; L44-V81 HydrophobicContact CD1-CG2 3.88Å; L72-V81 HydrophobicContact CD2-CG1 4.02Å; T73-V81 CarbonylContact O-C 3.56Å; T73-V81 VanDerWaalsContact O-CA 3.29Å; T73-V81 WeakPolarHBondContact O-CA 3.31Å; V74-V81 HydrophobicContact CB-CG2 4.07Å; V74-V81 HydrophobicContact CG2-CG2 3.97Å; V81-E89 WeakPolarHBondContact O-CA 3.39Å; V81-E89 VanDerWaalsContact O-CG 3.29Å; V81-E89 WeakPolarHBondContact O-CG 3.47Å; V81-V90 WeakPolarHBondContact CB-O 3.35Å; V81-V90 PolarHBondContact O-N 3.28Å; V81-L92 HydrophobicContact CG2-CD1 4Å; V81-L92 HydrophobicContact CG2-CG 4.19Å
82	W	88.3	Confident	83.5	Confident	71 Å²	71	36 Å²	36	27%	0.269	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.4	177.7	-174.8	-100.6	0	0	0	110.8	W41 L72 T73 Y84 S87 E89	W41-W82 HydrophobicContact CE3-CB 4.37Å; W41-W82 HydrophobicContact CH2-CB 4.02Å; W41-W82 HydrophobicContact CZ3-CB 3.6Å; L72-W82 WeakPolarHBondContact CA-O 3.05Å; T73-W82 PolarHBondContact N-O 3.3Å; T73-W82 VanDerWaalsContact N-O 3.16Å; T73-W82 PolarHBondContact O-N 3.23Å; W82-Y84 AromaticContact CD1-CD1 3.5Å; W82-Y84 AromaticContact CD1-CE1 3.4Å; W82-Y84 AromaticContact CD1-CE2 4Å; W82-Y84 AromaticContact CD1-CG 3.82Å; W82-Y84 AromaticContact CD1-CZ 3.68Å; W82-Y84 AromaticContact NE1-CD1 3.4Å; W82-Y84 AromaticContact NE1-CE1 3.54Å; W82-S87 WeakPolarHBondContact CH2-O 3.48Å; W82-S87 VanDerWaalsContact CZ2-C 3.44Å; W82-E89 HydrophobicContact CE3-CB 4.12Å; W82-E89 HydrophobicContact CZ3-CB 4.31Å; W82-E89 VanDerWaalsContact CZ3-N 3.33Å
83	C	90.2	Very high	81.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	105.8	174.4	-172	0	0	0	0	111.7	C8 H10 Y71 L72 A85 C86 S87 K88 V90	C8-C83 PolarHBondContact SG-SG 2.6Å; H10-C83 PolarHBondContact ND1-SG 3.46Å; Y71-C83 CarbonylContact O-C 3.56Å; Y71-C83 VanDerWaalsContact O-CA 3.31Å; Y71-C83 WeakPolarHBondContact O-CA 3.22Å; L72-C83 HydrophobicContact CD2-CB 3.54Å; C83-A85 PolarHBondContact O-N 2.75Å; C83-C86 HydrophobicContact CB-CB 4.22Å; C83-C86 CarbonylContact O-C 3.46Å; C83-C86 PolarHBondContact O-N 2.8Å; C83-C86 VanDerWaalsContact O-N 3.12Å; C83-S87 PolarHBondContact O-N 3.14Å; C83-K88 PolarHBondContact N-O 3.35Å; C83-K88 PolarHBondContact O-N 2.93Å; C83-V90 HydrophobicContact CB-CG2 3.56Å
84	Y	88.1	Confident	79.7	Confident	42 Å²	42	49.3 Å²	49.3	17%	0.165	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.5	-35.5	-179	-66.7	-71.8	0	0	0	113.3	S61 T62 S65 Y71 T73 W82 C86 S87	S61-Y84 WeakPolarHBondContact CB-OH 3.46Å; T62-Y84 WeakPolarHBondContact OG1-CE1 3.22Å; S65-Y84 VanDerWaalsContact OG-CB 3.31Å; S65-Y84 WeakPolarHBondContact OG-CB 3.38Å; S65-Y84 WeakPolarHBondContact OG-CD2 3.47Å; Y71-Y84 PolarHBondContact O-N 2.83Å; T73-Y84 HydrophobicContact CG2-CE2 3.79Å; T73-Y84 WeakPolarHBondContact OG1-CE2 3.43Å; W82-Y84 AromaticContact CD1-CD1 3.5Å; W82-Y84 AromaticContact CD1-CE1 3.4Å; W82-Y84 AromaticContact CD1-CE2 4Å; W82-Y84 AromaticContact CD1-CG 3.82Å; W82-Y84 AromaticContact CD1-CZ 3.68Å; W82-Y84 AromaticContact NE1-CD1 3.4Å; W82-Y84 AromaticContact NE1-CE1 3.54Å; Y84-C86 PolarHBondContact O-N 2.72Å; Y84-S87 PolarHBondContact O-N 3.03Å
85	A	87.6	Confident	77.3	Confident	47 Å²	47	58 Å²	58	39%	0.388	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-74	-9	175.8	0	0	0	0	0	114.5	H10 Y71 C83	H10-A85 VanDerWaalsContact CE1-CB 3.4Å; H10-A85 WeakPolarHBondContact CE1-CB 3.33Å; Y71-A85 HydrophobicContact CD1-CB 3.53Å; Y71-A85 HydrophobicContact CD2-CB 3.9Å; Y71-A85 HydrophobicContact CE1-CB 3.95Å; Y71-A85 HydrophobicContact CE2-CB 4.3Å; Y71-A85 HydrophobicContact CG-CB 3.48Å; Y71-A85 VanDerWaalsContact CG-CB 3.48Å; C83-A85 PolarHBondContact O-N 2.75Å
86	C	84.9	Confident	74.8	Confident	44 Å²	44	64.2 Å²	64.2	30%	0.297	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-120.9	4.8	175.5	-63.9	0	0	0	0	113	C8 H10 C83 Y84 K88	C8-C86 VanDerWaalsContact SG-SG 3.65Å; H10-C86 VanDerWaalsContact CE1-SG 3.58Å; C83-C86 HydrophobicContact CB-CB 4.22Å; C83-C86 CarbonylContact O-C 3.46Å; C83-C86 PolarHBondContact O-N 2.8Å; C83-C86 VanDerWaalsContact O-N 3.12Å; Y84-C86 PolarHBondContact O-N 2.72Å; C86-K88 HydrophobicContact CB-CD 4.24Å; C86-K88 HydrophobicContact CB-CG 3.87Å; C86-K88 WeakPolarHBondContact O-CG 3.19Å; C86-K88 PolarHBondContact O-N 3.17Å
87	S	84.5	Confident	72.2	Confident	98 Å²	98	66.6 Å²	66.6	69%	0.685	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	39.7	-176.3	-56.6	0	0	0	0	114.4	W82 C83 Y84	W82-S87 WeakPolarHBondContact CH2-O 3.48Å; W82-S87 VanDerWaalsContact CZ2-C 3.44Å; C83-S87 PolarHBondContact O-N 3.14Å; Y84-S87 PolarHBondContact O-N 3.03Å
88	K	78.7	Confident	69.9	Low	68 Å²	68	70.8 Å²	70.8	30%	0.296	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.4	-174.4	72.7	-179	-171.4	171.1	0	113.5	N6 C83 C86 V90	N6-K88 PolarHBondContact O-NZ 3.38Å; C83-K88 PolarHBondContact N-O 3.35Å; C83-K88 PolarHBondContact O-N 2.93Å; C86-K88 HydrophobicContact CB-CD 4.24Å; C86-K88 HydrophobicContact CB-CG 3.87Å; C86-K88 WeakPolarHBondContact O-CG 3.19Å; C86-K88 PolarHBondContact O-N 3.17Å; K88-V90 HydrophobicContact CG-CG2 4.38Å
89	E	81	Confident	67.7	Low	7 Å²	7	78.2 Å²	78.2	3%	0.033	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	147.6	168	-153	168.3	126	0	0	110.3	R80 V81 W82 F91 A772	R80-E89 HydrophobicContact CB-CG 4.42Å; R80-E89 WeakPolarHBondContact CB-OE1 3.45Å; R80-E89 VanDerWaalsContact CD-OE1 3.27Å; R80-E89 WeakPolarHBondContact CD-OE1 3.28Å; R80-E89 VanDerWaalsContact CG-OE1 3.28Å; R80-E89 WeakPolarHBondContact CG-OE1 3.39Å; R80-E89 IonicContact CZ-OE2 2.67Å; R80-E89 IonicContact NH1-OE2 3.14Å; R80-E89 PolarHBondContact NH1-OE2 3.14Å; V81-E89 WeakPolarHBondContact O-CA 3.39Å; V81-E89 VanDerWaalsContact O-CG 3.29Å; V81-E89 WeakPolarHBondContact O-CG 3.47Å; W82-E89 HydrophobicContact CE3-CB 4.12Å; W82-E89 HydrophobicContact CZ3-CB 4.31Å; W82-E89 VanDerWaalsContact CZ3-N 3.33Å; E89-F91 HydrophobicContact CG-CZ 4.46Å; E89-A772 WeakPolarHBondContact OE1-CB 3.27Å; E89-A772 WeakPolarHBondContact OE2-CB 3.37Å
90	V	83.1	Confident	65.5	Low	9 Å²	9	79.4 Å²	79.4	6%	0.055	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.5	-174.9	-175.4	0	0	0	0	108.9	C8 L11 V81 C83 K88	C8-V90 HydrophobicContact CB-CG1 3.77Å; C8-V90 HydrophobicContact CB-CG2 3.84Å; L11-V90 HydrophobicContact CD1-CG1 3.77Å; L11-V90 HydrophobicContact CD2-CG1 3.71Å; L11-V90 HydrophobicContact CG-CG1 3.84Å; V81-V90 WeakPolarHBondContact CB-O 3.35Å; V81-V90 PolarHBondContact O-N 3.28Å; C83-V90 HydrophobicContact CB-CG2 3.56Å; K88-V90 HydrophobicContact CG-CG2 4.38Å
91	F	75.7	Confident	63	Low	49 Å²	49	82.5 Å²	82.5	22%	0.215	45%	0.451	C	S	.	.			trans	-106.9	138.5	-179.3	-53	-75.4	0	0	0	110	E89 D93 F709 W760 Y764	E89-F91 HydrophobicContact CG-CZ 4.46Å; F91-D93 PolarHBondContact O-N 2.87Å; F91-F709 HydrophobicContact CD1-CZ 4.39Å; F91-F709 HydrophobicContact CE1-CE1 4.19Å; F91-F709 AromaticContact CE1-CZ 3.88Å; F91-F709 HydrophobicContact CE1-CZ 3.88Å; F91-W760 AromaticContact CZ-NE1 3.88Å; F91-Y764 AromaticContact CE2-CD1 3.89Å; F91-Y764 HydrophobicContact CE2-CD1 3.89Å; F91-Y764 HydrophobicContact CE2-CE1 4.13Å; F91-Y764 HydrophobicContact CZ-CD1 4.14Å; F91-Y764 HydrophobicContact CZ-CE1 4.32Å
92	L	69.9	Low	60.3	Low	101 Å²	101	90 Å²	90	53%	0.529	49%	0.49	S	S	.	.			trans	-87	107.1	-179.3	-69.4	173.2	0	0	0	109.9	L11 V81 R94	L11-L92 HydrophobicContact CD2-CD2 3.68Å; V81-L92 HydrophobicContact CG2-CD1 4Å; V81-L92 HydrophobicContact CG2-CG 4.19Å; L92-R94 PolarHBondContact O-N 3.17Å
93	D	56.8	Low	58	Low	108 Å²	108	91.9 Å²	91.9	58%	0.578	51%	0.511	S	S	*	.			trans	-60.9	126.2	177.2	-83.5	-55.7	0	0	0	112	H7 F91 K95	H7-D93 IonicContact CE1-OD2 2.76Å; H7-D93 PolarHBondContact CE1-OD2 3.23Å; H7-D93 IonicContact ND1-OD2 3.91Å; H7-D93 PolarHBondContact ND1-OD2 2.92Å; F91-D93 PolarHBondContact O-N 2.87Å; D93-K95 VanDerWaalsContact C-N 3.35Å; D93-K95 PolarHBondContact O-N 3.05Å
94	R	46.1	Very low	55.3	Low	172 Å²	172	101 Å²	101	65%	0.649	55%	0.554	S	S	*	*			trans	-74.4	85.4	-179.9	-167.3	-175	-173.7	-174.7	2.7	110.3	L92 L96	L92-R94 PolarHBondContact O-N 3.17Å; R94-L96 HydrophobicContact CG-CG 4.26Å; R94-L96 PolarHBondContact O-N 2.61Å
95	K	38.9	Very low	52.5	Low	189 Å²	189	105.8 Å²	105.8	82%	0.822	59%	0.587	S	S	*	*			trans	-61.1	81.2	166.4	-71.3	179.8	-178.3	169.5	0	110	D93 G97	D93-K95 VanDerWaalsContact C-N 3.35Å; D93-K95 PolarHBondContact O-N 3.05Å; K95-G97 PolarHBondContact O-N 3.06Å; K95-G97 VanDerWaalsContact O-N 3.13Å
96	L	33.6	Very low	49.6	Very low	130 Å²	130	114.3 Å²	114.3	68%	0.681	61%	0.609	S	S	*	*			trans	-59.4	112.9	173.5	-82.2	164.2	0	0	0	108.8	R94 T98	R94-L96 HydrophobicContact CG-CG 4.26Å; R94-L96 PolarHBondContact O-N 2.61Å; L96-T98 PolarHBondContact O-N 3.14Å
97	G	29.6	Very low	47	Very low	62 Å²	62	121 Å²	121	64%	0.639	64%	0.636	S	S	*	*			trans	-59.1	132.4	-177.1	0	0	0	0	0	112	K95 Q99	K95-G97 PolarHBondContact O-N 3.06Å; K95-G97 VanDerWaalsContact O-N 3.13Å; G97-Q99 PolarHBondContact O-N 2.78Å
98	T	28.2	Very low	44.3	Very low	146 Å²	146	122 Å²	122	90%	0.896	64%	0.64	S	S	*	*			trans	-58.4	106.6	-176.8	-43	0	0	0	0	111.3	L96	L96-T98 PolarHBondContact O-N 3.14Å
99	Q	29.9	Very low	41.8	Very low	166 Å²	166	127.6 Å²	127.6	78%	0.776	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-73.9	139.6	173.6	-75.6	-69.8	-29.5	0	0	110.7	G97	G97-Q99 PolarHBondContact O-N 2.78Å
100	P	32	Very low	39.6	Very low	117 Å²	117	136.4 Å²	136.4	76%	0.76	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-70	159.3	174.2	30.5	-34.3	0	0	0	111.7
101	S	30.2	Very low	36.8	Very low	103 Å²	103	143.2 Å²	143.2	72%	0.72	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-93.4	161.1	-166.9	54.8	0	0	0	0	115.1
102	L	28.8	Very low	34.3	Very low	160 Å²	160	149.2 Å²	149.2	84%	0.838	77%	0.772	S	S	*	*			trans	85.2	150.9	166.5	-53.9	164.7	0	0	0	117.2
103	P	39.4	Very low	32.4	Very low	111 Å²	111	153.4 Å²	153.4	72%	0.721	79%	0.788	S	S	*	*			cis	-138.4	152.3	-34	36.3	-19.7	0	0	0	115.9
104	H	34.1	Very low	30.8	Very low	191 Å²	191	155.6 Å²	155.6	88%	0.884	80%	0.8	S	S	*	*			trans	16.5	109.4	151.5	-118.6	-13.5	0	0	0	121.4
105	V	29.1	Very low	30	Very low	143 Å²	143	151.8 Å²	151.8	87%	0.867	80%	0.8	S	S	*	*			trans	-139	168.7	146.5	-177.4	0	0	0	0	109.1
106	R	28	Very low	29.3	Very low	227 Å²	227	149.5 Å²	149.5	86%	0.857	80%	0.801	S	S	*	*			trans	-95.2	146.8	-163.5	-57.1	170.3	177	163.7	-3.3	115.5
107	Q	28.6	Very low	28.9	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	80%	0.803	S	S	*	*			trans	56.5	151.4	146.6	-82.9	-179.7	-29.4	0	0	120.8
108	P	27.9	Very low	28.7	Very low	120 Å²	120	154.7 Å²	154.7	78%	0.779	81%	0.81	S	S	*	*			trans	-87.1	141.8	-173.2	34.7	-34.7	0	0	0	113.4
109	H	26.8	Very low	28.7	Very low	185 Å²	185	155.5 Å²	155.5	86%	0.856	80%	0.802	S	S	*	*			trans	-116.8	151.3	159.7	-90.2	-72.9	0	0	0	110.1	I111	H109-I111 PolarHBondContact O-N 2.91Å
110	Q	34.6	Very low	28.4	Very low	193 Å²	193	156.7 Å²	156.7	90%	0.902	80%	0.804	S	S	*	*			trans	-69.7	124.5	-178.6	-64.6	161.7	-46.6	0	0	111.3
111	I	24.3	Very low	28.4	Very low	152 Å²	152	158.2 Å²	158.2	78%	0.779	81%	0.805	S	S	*	*			trans	-138.5	97.5	164.4	-55.8	-179.5	0	0	0	103.9	H109	H109-I111 PolarHBondContact O-N 2.91Å
112	Q	23.5	Very low	28.2	Very low	175 Å²	175	158.5 Å²	158.5	82%	0.818	80%	0.804	S	S	*	*				67.8	116.8	79.4	-166.2	172	44.6	0	0	111.7
113	E	30.2	Very low	28.4	Very low	188 Å²	188	156.3 Å²	156.3	88%	0.879	80%	0.802	S	S	*	*			trans	-60.4	136.7	-171.7	-57.7	164.6	120.5	0	0	112.3
114	N	23.6	Very low	28.1	Very low	154 Å²	154	158.2 Å²	158.2	82%	0.824	81%	0.806	S	S	*	*			trans	-157.9	117.6	160	-108.1	-56	0	0	0	113.1
115	S	29.3	Very low	28.2	Very low	93 Å²	93	155 Å²	155	65%	0.65	80%	0.8	S	S	*	*			trans	34.8	92	157.6	-158.8	0	0	0	0	118.6
116	V	24.4	Very low	29.2	Very low	140 Å²	140	154.5 Å²	154.5	85%	0.848	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-80.3	137.4	132.3	-179.6	0	0	0	0	106.7
117	Q	24.3	Very low	30.7	Very low	155 Å²	155	145 Å²	145	72%	0.724	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-87.2	119.3	-179	-68.8	-179	-11	0	0	110.9	F119	Q117-F119 PolarHBondContact O-N 2.73Å
118	D	24.9	Very low	32.2	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.4	177.4	-75.7	-40.1	0	0	0	112.5	K120	D118-K120 PolarHBondContact O-N 3.23Å; D118-K120 VanDerWaalsContact O-N 3.09Å
119	F	27.8	Very low	33.5	Very low	164 Å²	164	142.4 Å²	142.4	72%	0.719	75%	0.747	S	S	*	*			trans	-78.1	90.2	172.2	-78.1	-90.7	0	0	0	111.2	Q117 I121	Q117-F119 PolarHBondContact O-N 2.73Å; F119-I121 PolarHBondContact O-N 3.46Å
120	K	24	Very low	35.2	Very low	191 Å²	191	134 Å²	134	83%	0.83	71%	0.709	S	S	*	*			trans	-81.5	99.2	170.3	-76.3	-176.7	176.8	174	0	111.9	D118	D118-K120 PolarHBondContact O-N 3.23Å; D118-K120 VanDerWaalsContact O-N 3.09Å
121	I	32.1	Very low	36.3	Very low	149 Å²	149	130.5 Å²	130.5	76%	0.764	70%	0.695	S	S	*	*			trans	-82.6	146.1	164.4	-62.1	176.9	0	0	0	108.8	F119 S123	F119-I121 PolarHBondContact O-N 3.46Å; I121-S123 PolarHBondContact O-N 3.12Å
122	P	25.8	Very low	37.9	Very low	109 Å²	109	126.3 Å²	126.3	71%	0.708	68%	0.677	S	S	*	*			trans	-63.6	120	-175.5	-24.4	35.6	0	0	0	114.3	N124	P122-N124 PolarHBondContact O-N 3.33Å
123	S	33.3	Very low	39.4	Very low	114 Å²	114	118.7 Å²	118.7	80%	0.797	64%	0.644	S	S	*	*			trans	3.6	89.2	160.2	59.6	0	0	0	0	117.9	I121	I121-S123 PolarHBondContact O-N 3.12Å
124	N	33.9	Very low	40.1	Very low	151 Å²	151	113.7 Å²	113.7	81%	0.807	63%	0.626	S	S	*	*			trans	-105.1	154.3	140.8	-83.8	-43.9	0	0	0	108	P122 T126	P122-N124 PolarHBondContact O-N 3.33Å; N124-T126 PolarHBondContact O-N 2.92Å
125	T	36.6	Very low	40.7	Very low	122 Å²	122	110.1 Å²	110.1	75%	0.748	60%	0.603	S	S	*	*			trans	-54.3	104.8	-174.6	-43.7	0	0	0	0	111.1	L127	T125-L127 PolarHBondContact O-N 3.03Å
126	T	48.7	Very low	41.3	Very low	134 Å²	134	112.5 Å²	112.5	82%	0.822	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-66.6	118.9	-170.7	-11.6	0	0	0	0	110	N124 K128	N124-T126 PolarHBondContact O-N 2.92Å; T126-K128 PolarHBondContact O-N 2.83Å
127	L	59.1	Low	42.2	Very low	28 Å²	28	107.9 Å²	107.9	15%	0.147	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-57.5	136.3	158.4	-67.4	172.6	0	0	0	107.1	T125 T129 V740 A745 I748 L776 I778	T125-L127 PolarHBondContact O-N 3.03Å; L127-T129 PolarHBondContact O-N 3.43Å; L127-V740 HydrophobicContact CD1-CB 4.43Å; L127-V740 HydrophobicContact CD1-CG2 4.13Å; L127-A745 HydrophobicContact CD2-CB 3.7Å; L127-I748 HydrophobicContact CD2-CG2 4.25Å; L127-L776 HydrophobicContact CD1-CB 3.74Å; L127-I778 HydrophobicContact CD1-CG1 4.42Å; L127-I778 HydrophobicContact CD2-CD1 4.19Å; L127-I778 HydrophobicContact CD2-CG1 3.79Å; L127-I778 HydrophobicContact CG-CG1 4.04Å
128	K	60.7	Low	43.2	Very low	133 Å²	133	101.5 Å²	101.5	58%	0.578	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-58.5	139.2	169.6	-68.1	165.1	165.7	-173.5	0	108.7	T126 P130 E749	T126-K128 PolarHBondContact O-N 2.83Å; K128-P130 WeakPolarHBondContact O-CD 3.25Å; K128-E749 HydrophobicContact CD-CG 4.46Å; K128-E749 WeakPolarHBondContact CD-OE1 3.4Å; K128-E749 VanDerWaalsContact CD-OE2 3.31Å; K128-E749 WeakPolarHBondContact CD-OE2 3.23Å; K128-E749 WeakPolarHBondContact CE-OE1 3.33Å; K128-E749 IonicContact NZ-OE1 2.73Å; K128-E749 PolarHBondContact NZ-OE1 2.97Å; K128-E749 IonicContact NZ-OE2 3.78Å; K128-E749 PolarHBondContact NZ-OE2 3.49Å
129	T	56.2	Low	43.9	Very low	115 Å²	115	97 Å²	97	71%	0.706	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60.7	119	171.8	-42.2	0	0	0	0	109.2	L127 M754	L127-T129 PolarHBondContact O-N 3.43Å; T129-M754 HydrophobicContact CG2-SD 4.42Å
130	P	61.3	Low	44.8	Very low	8 Å²	8	94.7 Å²	94.7	5%	0.052	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-61.8	163.8	170.8	-22.8	36.6	0	0	0	111.1	K128 V132 Y710 V752 M754 L776	K128-P130 WeakPolarHBondContact O-CD 3.25Å; P130-V132 PolarHBondContact O-N 3.31Å; P130-Y710 HydrophobicContact CB-CE1 4.38Å; P130-Y710 HydrophobicContact CG-CD1 4.28Å; P130-Y710 HydrophobicContact CG-CE1 3.76Å; P130-V752 HydrophobicContact CB-CG2 3.72Å; P130-V752 HydrophobicContact CG-CG2 3.54Å; P130-M754 HydrophobicContact CB-SD 4.3Å; P130-L776 HydrophobicContact CG-CD1 3.93Å
131	L	58.1	Low	45.6	Very low	119 Å²	119	91.2 Å²	91.2	62%	0.623	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-66	134.5	173.3	-62.3	176.1	0	0	0	110.1
132	V	57.8	Low	46	Very low	65 Å²	65	87.3 Å²	87.3	39%	0.394	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-54	139.4	155.7	179.9	0	0	0	0	107.2	P130 V134 M754	P130-V132 PolarHBondContact O-N 3.31Å; V132-V134 VanDerWaalsContact C-N 3.32Å; V132-V134 WeakPolarHBondContact O-CG2 3.46Å; V132-V134 PolarHBondContact O-N 2.81Å; V132-M754 HydrophobicContact CG2-CE 4.41Å
133	A	55	Low	46.7	Very low	14 Å²	14	87.9 Å²	87.9	12%	0.116	49%	0.487	C	S	.	.			trans	-61	98.7	171.8	0	0	0	0	0	109	L138 L753 M754 L755	A133-L138 HydrophobicContact CB-CD1 3.54Å; A133-L753 HydrophobicContact CB-CD2 3.81Å; A133-M754 VanDerWaalsContact CB-O 3.3Å; A133-M754 WeakPolarHBondContact CB-O 3.43Å; A133-M754 PolarHBondContact N-O 3.35Å; A133-L755 HydrophobicContact CB-CD2 4.21Å
134	V	45	Very low	47.2	Very low	84 Å²	84	91 Å²	91	51%	0.509	49%	0.489	S	S	.	.			trans	-72.7	154.9	170.6	-161.3	0	0	0	0	107.2	V132 D136 D137	V132-V134 VanDerWaalsContact C-N 3.32Å; V132-V134 WeakPolarHBondContact O-CG2 3.46Å; V132-V134 PolarHBondContact O-N 2.81Å; V134-D136 VanDerWaalsContact C-N 3.28Å; V134-D136 PolarHBondContact O-N 3.2Å; V134-D137 PolarHBondContact O-N 3.15Å
135	F	37.4	Very low	47.7	Very low	79 Å²	79	91.9 Å²	91.9	35%	0.346	49%	0.488	S	S	.	.	H	α-helix	trans	-35.3	-60.8	168.4	-80.1	-105.8	0	0	0	111	D137 L138 D139 N700 M702	F135-D137 PolarHBondContact O-N 3.24Å; F135-L138 CarbonylContact O-C 3.58Å; F135-L138 PolarHBondContact O-N 3.24Å; F135-D139 VanDerWaalsContact CB-OD2 3.29Å; F135-D139 WeakPolarHBondContact CB-OD2 3.46Å; F135-D139 WeakPolarHBondContact O-CB 3.21Å; F135-D139 PolarHBondContact O-N 3.24Å; F135-N700 HydrophobicContact CE1-CB 3.94Å; F135-N700 HydrophobicContact CZ-CB 4.4Å; F135-M702 HydrophobicContact CE2-CG 3.96Å; F135-M702 HydrophobicContact CE2-SD 3.83Å; F135-M702 HydrophobicContact CZ-CG 4.34Å
136	D	40.6	Very low	48.2	Very low	142 Å²	142	87.8 Å²	87.8	76%	0.759	46%	0.461	S	S	*	.	H	α-helix	trans	-49.5	-25.6	179.5	-151.8	14.4	0	0	0	116.3	V134 D139	V134-D136 VanDerWaalsContact C-N 3.28Å; V134-D136 PolarHBondContact O-N 3.2Å; D136-D139 PolarHBondContact N-OD2 3.4Å
137	D	43.5	Very low	48	Very low	44 Å²	44	88.7 Å²	88.7	24%	0.235	46%	0.456	C	S	.	.	H	α-helix	trans	-90.3	-11.8	-179.9	-134.3	3.4	0	0	0	112.7	V134 F135 R713 K720 L753	V134-D137 PolarHBondContact O-N 3.15Å; F135-D137 PolarHBondContact O-N 3.24Å; D137-R713 IonicContact OD1-NH1 2.71Å; D137-R713 PolarHBondContact OD1-NH1 3.09Å; D137-R713 IonicContact OD2-CZ 3.53Å; D137-R713 IonicContact OD2-NH1 2.82Å; D137-R713 PolarHBondContact OD2-NH1 3Å; D137-R713 IonicContact OD2-NH2 3.89Å; D137-R713 PolarHBondContact OD2-NH2 3.15Å; D137-K720 PolarHBondContact O-NZ 2.93Å; D137-L753 WeakPolarHBondContact OD2-CD2 3.46Å
138	L	46	Very low	47.5	Very low	20 Å²	20	94.3 Å²	94.3	11%	0.105	49%	0.486	C	S	.	.	H	α-helix	trans	-127.3	-12.7	-178.8	-86.2	164.9	0	0	0	114.6	A133 F135 L699 L716 L755	A133-L138 HydrophobicContact CB-CD1 3.54Å; F135-L138 CarbonylContact O-C 3.58Å; F135-L138 PolarHBondContact O-N 3.24Å; L138-L699 HydrophobicContact CB-CD1 3.94Å; L138-L699 HydrophobicContact CD1-CD1 3.59Å; L138-L699 HydrophobicContact CD1-CD2 3.55Å; L138-L699 HydrophobicContact CD1-CG 4.21Å; L138-L699 HydrophobicContact CD2-CD1 4.19Å; L138-L699 HydrophobicContact CG-CD1 4.12Å; L138-L716 HydrophobicContact CD2-CD1 4.05Å; L138-L716 HydrophobicContact CD2-CD2 3.85Å; L138-L716 HydrophobicContact CD2-CG 4.29Å; L138-L755 HydrophobicContact CD1-CD2 3.97Å
139	D	39.3	Very low	47.6	Very low	53 Å²	53	95.5 Å²	95.5	28%	0.283	49%	0.486	S	S	.	.			trans	-62.4	137.6	-172.3	-83.8	-21.4	0	0	0	113.5	F135 D136 E141	F135-D139 VanDerWaalsContact CB-OD2 3.29Å; F135-D139 WeakPolarHBondContact CB-OD2 3.46Å; F135-D139 WeakPolarHBondContact O-CB 3.21Å; F135-D139 PolarHBondContact O-N 3.24Å; D136-D139 PolarHBondContact N-OD2 3.4Å; D139-E141 HydrophobicContact CB-CB 4.45Å
140	I	46.7	Very low	48.5	Very low	115 Å²	115	90.6 Å²	90.6	59%	0.59	46%	0.458	S	S	*	.			trans	-98.2	-5.3	153.9	-63.9	173.5	0	0	0	109.4	V142	I140-V142 PolarHBondContact O-N 2.88Å
141	E	40.6	Very low	49.8	Very low	117 Å²	117	93.9 Å²	93.9	55%	0.547	47%	0.469	S	S	.	.			trans	-76.3	86.9	174.6	-74.4	177.4	-141.8	0	0	110.5	D139 N700	D139-E141 HydrophobicContact CB-CB 4.45Å; E141-N700 PolarHBondContact OE1-ND2 3.23Å
142	V	40.9	Very low	51.3	Low	67 Å²	67	88.3 Å²	88.3	41%	0.406	44%	0.44	S	S	.	.			trans	-59.1	130.4	159.1	-169.7	0	0	0	0	108	I140 E144 D146 E147	I140-V142 PolarHBondContact O-N 2.88Å; V142-E144 PolarHBondContact O-N 3.33Å; V142-D146 VanDerWaalsContact CG1-C 3.42Å; V142-D146 HydrophobicContact CG1-CB 3.78Å; V142-E147 HydrophobicContact CB-CG 4.28Å; V142-E147 HydrophobicContact CG1-CG 4.21Å; V142-E147 VanDerWaalsContact CG1-N 3.3Å
143	D	40.7	Very low	53	Low	121 Å²	121	85.5 Å²	85.5	65%	0.647	42%	0.423	S	S	*	.			trans	-48.1	140.6	168	-82.5	-59	0	0	0	109.8	E145 D146 E147	D143-E145 PolarHBondContact O-N 2.84Å; D143-D146 HydrophobicContact CB-CB 4.08Å; D143-D146 PolarHBondContact O-N 2.91Å; D143-E147 PolarHBondContact O-N 3.38Å
144	E	43.9	Very low	55	Low	180 Å²	180	84.9 Å²	84.9	84%	0.841	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.2	-180	-64.2	-173	155.8	0	0	113.1	V142	V142-E144 PolarHBondContact O-N 3.33Å
145	E	44	Very low	57.5	Low	170 Å²	170	80.9 Å²	80.9	79%	0.794	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-26.3	170.7	-63.9	-162.5	151.6	0	0	114.4	D143	D143-E145 PolarHBondContact O-N 2.84Å
146	D	45.9	Very low	60.3	Low	35 Å²	35	77.1 Å²	77.1	19%	0.187	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-15.5	-177.4	-145.8	29.6	0	0	0	111.5	V142 D143 L148 R149 R151 K211	V142-D146 VanDerWaalsContact CG1-C 3.42Å; V142-D146 HydrophobicContact CG1-CB 3.78Å; D143-D146 HydrophobicContact CB-CB 4.08Å; D143-D146 PolarHBondContact O-N 2.91Å; D146-L148 PolarHBondContact O-N 3.21Å; D146-R149 PolarHBondContact O-N 3.29Å; D146-R149 VanDerWaalsContact O-N 3.15Å; D146-R151 IonicContact OD2-CZ 3.7Å; D146-R151 IonicContact OD2-NE 3.98Å; D146-R151 IonicContact OD2-NH2 2.82Å; D146-R151 PolarHBondContact OD2-NH2 3.35Å; D146-K211 IonicContact OD2-NZ 3.2Å
147	E	45.1	Very low	63	Low	153 Å²	153	75.1 Å²	75.1	72%	0.715	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-34	165.1	-82.9	-150.9	134.6	0	0	111.7	V142 D143 R149	V142-E147 HydrophobicContact CB-CG 4.28Å; V142-E147 HydrophobicContact CG1-CG 4.21Å; V142-E147 VanDerWaalsContact CG1-N 3.3Å; D143-E147 PolarHBondContact O-N 3.38Å; E147-R149 PolarHBondContact O-N 2.66Å; E147-R149 VanDerWaalsContact O-N 3.09Å
148	L	49.6	Very low	65.3	Low	146 Å²	146	75.3 Å²	75.3	76%	0.764	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.4	-177.2	-64	168.3	0	0	0	113.6	D146	D146-L148 PolarHBondContact O-N 3.21Å
149	R	61.4	Low	67.4	Low	158 Å²	158	77.4 Å²	77.4	60%	0.596	37%	0.373	S	S	*	.	S	Bend	trans	-139.7	76.1	-178.4	-67.7	-169.6	176.6	-171.9	1.3	113.9	D146 E147 R151	D146-R149 PolarHBondContact O-N 3.29Å; D146-R149 VanDerWaalsContact O-N 3.15Å; E147-R149 PolarHBondContact O-N 2.66Å; E147-R149 VanDerWaalsContact O-N 3.09Å; R149-R151 PolarHBondContact O-N 3.04Å
150	A	76.2	Confident	69.8	Low	13 Å²	13	77.3 Å²	77.3	11%	0.107	39%	0.385	C	S	.	.			trans	-44.7	114.6	166.1	0	0	0	0	0	112.2	L153	A150-L153 HydrophobicContact CB-CD1 3.82Å; A150-L153 HydrophobicContact CB-CG 4.47Å
151	R	89.1	Confident	71.9	Confident	77 Å²	77	74.6 Å²	74.6	29%	0.291	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	165.8	179.9	-52.1	-176.2	-162.8	150.7	6.5	110.7	D146 R149 L153 W209 N649 L651	D146-R151 IonicContact OD2-CZ 3.7Å; D146-R151 IonicContact OD2-NE 3.98Å; D146-R151 IonicContact OD2-NH2 2.82Å; D146-R151 PolarHBondContact OD2-NH2 3.35Å; R149-R151 PolarHBondContact O-N 3.04Å; R151-L153 PolarHBondContact O-N 3.47Å; R151-W209 HydrophobicContact CB-CE3 3.97Å; R151-W209 HydrophobicContact CB-CZ3 4.48Å; R151-W209 WeakPolarHBondContact O-CZ3 3.42Å; R151-N649 PolarHBondContact O-ND2 3Å; R151-L651 HydrophobicContact CB-CD1 4.04Å; R151-L651 HydrophobicContact CG-CD1 4.39Å
152	G	89.5	Confident	74.5	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.01	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-11.3	-178.2	0	0	0	0	0	114.9	T154 L208 W209	G152-T154 PolarHBondContact O-N 2.77Å; G152-L208 WeakPolarHBondContact CA-O 3.48Å; G152-W209 VanDerWaalsContact CA-CD2 3.45Å
153	L	93.6	Very high	77.1	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.037	33%	0.328	C	S	.	.			trans	-82.3	63.5	179.3	-58.7	-176	0	0	0	112	A150 R151 R213 N649 Y656 F658 V663	A150-L153 HydrophobicContact CB-CD1 3.82Å; A150-L153 HydrophobicContact CB-CG 4.47Å; R151-L153 PolarHBondContact O-N 3.47Å; L153-R213 VanDerWaalsContact CB-CZ 3.42Å; L153-R213 VanDerWaalsContact CB-NH2 3.35Å; L153-R213 PolarHBondContact O-NE 3.2Å; L153-R213 PolarHBondContact O-NH2 2.7Å; L153-N649 HydrophobicContact CD2-CB 4.2Å; L153-N649 WeakPolarHBondContact CD2-ND2 3.47Å; L153-Y656 HydrophobicContact CD1-CD1 4.32Å; L153-Y656 HydrophobicContact CD1-CD2 4.28Å; L153-Y656 HydrophobicContact CD1-CE1 3.9Å; L153-Y656 HydrophobicContact CD1-CE2 3.83Å; L153-Y656 HydrophobicContact CD2-CD1 4.12Å; L153-Y656 HydrophobicContact CD2-CD2 3.4Å; L153-Y656 VanDerWaalsContact CD2-CD2 3.4Å; L153-Y656 HydrophobicContact CD2-CE1 4.46Å; L153-Y656 HydrophobicContact CD2-CE2 3.77Å; L153-Y656 HydrophobicContact CD2-CG 3.61Å; L153-Y656 HydrophobicContact CG-CD2 4.49Å; L153-Y656 HydrophobicContact CG-CE2 4.45Å; L153-F658 HydrophobicContact CD2-CZ 4.08Å; L153-V663 HydrophobicContact CB-CG1 4.43Å
154	T	95.6	Very high	79.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.298	C	S	.	.			trans	-127.4	129.1	-172.4	-63.2	0	0	0	0	109.8	G152 Q170 L208 P214 V217	G152-T154 PolarHBondContact O-N 2.77Å; T154-Q170 PolarHBondContact O-NE2 3.09Å; T154-L208 WeakPolarHBondContact CB-O 3.4Å; T154-L208 HydrophobicContact CG2-CD2 3.52Å; T154-L208 PolarHBondContact OG1-O 3.4Å; T154-P214 HydrophobicContact CG2-CG 3.94Å; T154-P214 WeakPolarHBondContact CG2-O 3.41Å; T154-P214 PolarHBondContact OG1-O 3.26Å; T154-V217 HydrophobicContact CG2-CB 4.37Å; T154-V217 HydrophobicContact CG2-CG2 3.64Å
155	G	97.1	Very high	82.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	163.6	179.4	0	0	0	0	0	114.4	G215 S216 V217 D660	G155-G215 PolarHBondContact N-O 2.93Å; G155-S216 CarbonylContact O-C 3.56Å; G155-S216 WeakPolarHBondContact O-CA 3.31Å; G155-V217 PolarHBondContact O-N 2.87Å; G155-D660 CarbonylContact C-O 3.54Å; G155-D660 WeakPolarHBondContact CA-O 3.37Å
156	L	97.6	Very high	84.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.4	171.6	-73.5	176.1	0	0	0	110.5	N158 N166 L169 Q170 L204 L208 V217 P219 D660 Q661	L156-N158 PolarHBondContact O-N 2.89Å; L156-N166 HydrophobicContact CB-CB 3.96Å; L156-N166 HydrophobicContact CD1-CB 4.27Å; L156-N166 PolarHBondContact O-ND2 3.4Å; L156-L169 HydrophobicContact CD1-CB 3.61Å; L156-L169 HydrophobicContact CD1-CD1 4.09Å; L156-Q170 HydrophobicContact CD1-CG 4.11Å; L156-L204 HydrophobicContact CD2-CD1 4.02Å; L156-L208 HydrophobicContact CD2-CD2 3.88Å; L156-L208 HydrophobicContact CG-CD2 4.29Å; L156-V217 WeakPolarHBondContact CA-O 3.46Å; L156-V217 HydrophobicContact CD2-CB 4.39Å; L156-P219 HydrophobicContact CD2-CB 4.46Å; L156-P219 HydrophobicContact CD2-CG 4.32Å; L156-D660 PolarHBondContact N-O 3.45Å; L156-D660 CarbonylContact O-C 3.59Å; L156-D660 VanDerWaalsContact O-CA 3.23Å; L156-D660 WeakPolarHBondContact O-CA 3.03Å; L156-D660 WeakPolarHBondContact O-CB 3.47Å; L156-D660 VanDerWaalsContact O-O 3.12Å; L156-Q661 PolarHBondContact O-N 2.99Å
157	K	96	Very high	87.3	Confident	100 Å²	100	42.6 Å²	42.6	44%	0.435	21%	0.214	S	C	.	.			trans	-65.3	132.2	-174.8	-169.4	171.4	-176.4	172.6	0	112.1	N166 V217 V218	K157-N166 PolarHBondContact O-ND2 2.82Å; K157-V217 PolarHBondContact N-O 2.99Å; K157-V218 HydrophobicContact CB-CG2 4.09Å; K157-V218 HydrophobicContact CD-CG2 4.34Å
158	N	93.1	Very high	89.8	Confident	49 Å²	49	35.3 Å²	35.3	26%	0.262	18%	0.18	S	C	.	.			trans	-68	134.4	173.2	-159.4	-33.9	0	0	0	111.1	L156 G160 N161 T162 D660	L156-N158 PolarHBondContact O-N 2.89Å; N158-G160 PolarHBondContact OD1-N 3.47Å; N158-G160 PolarHBondContact OD1-O 3.31Å; N158-N161 PolarHBondContact OD1-N 2.95Å; N158-T162 WeakPolarHBondContact CA-OG1 3.29Å; N158-T162 PolarHBondContact OD1-N 2.92Å; N158-T162 PolarHBondContact OD1-OG1 3.21Å; N158-D660 HydrophobicContact CB-CB 4.11Å; N158-D660 WeakPolarHBondContact CB-OD2 3.21Å; N158-D660 PolarHBondContact ND2-OD2 2.91Å
159	I	90.3	Very high	92.1	Very high	63 Å²	63	28.4 Å²	28.4	32%	0.323	14%	0.143	S	C	.	.			trans	-112.5	30.7	179.4	-30.3	179.8	0	0	0	111	T162 V218 F223	I159-T162 HydrophobicContact CB-CG2 3.85Å; I159-T162 HydrophobicContact CG1-CG2 4.16Å; I159-T162 PolarHBondContact N-OG1 3.02Å; I159-V218 HydrophobicContact CD1-CG1 3.6Å; I159-V218 HydrophobicContact CG1-CG1 4.19Å; I159-F223 HydrophobicContact CD1-CD1 4.21Å
160	G	88.4	Confident	93.9	Very high	51 Å²	51	21 Å²	21	53%	0.526	12%	0.115	S	C	.	.	S	Bend	trans	126	-80.1	177.7	0	0	0	0	0	111.3	N158	N158-G160 PolarHBondContact OD1-N 3.47Å; N158-G160 PolarHBondContact OD1-O 3.31Å
161	N	91.3	Very high	94.9	Very high	58 Å²	58	20.3 Å²	20.3	31%	0.31	11%	0.11	S	C	.	.	S	Bend	trans	-124.9	38.7	177.7	-78.3	-47.4	0	0	0	111.1	N158 Y164 Y236 Q238	N158-N161 PolarHBondContact OD1-N 2.95Å; N161-Y164 WeakPolarHBondContact O-CD1 3.36Å; N161-Y164 WeakPolarHBondContact O-CE1 3.37Å; N161-Y236 PolarHBondContact ND2-O 3.13Å; N161-Q238 HydrophobicContact CB-CG 3.89Å
162	T	94.6	Very high	95.3	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.018	10%	0.097	C	C	.	.			trans	-91.8	6	-171.7	61.8	0	0	0	0	114.9	N158 I159 Y164 M165 N166 F223	N158-T162 WeakPolarHBondContact CA-OG1 3.29Å; N158-T162 PolarHBondContact OD1-N 2.92Å; N158-T162 PolarHBondContact OD1-OG1 3.21Å; I159-T162 HydrophobicContact CB-CG2 3.85Å; I159-T162 HydrophobicContact CG1-CG2 4.16Å; I159-T162 PolarHBondContact N-OG1 3.02Å; T162-Y164 VanDerWaalsContact C-N 3.28Å; T162-Y164 PolarHBondContact O-N 2.9Å; T162-M165 HydrophobicContact CG2-CE 3.95Å; T162-M165 WeakPolarHBondContact O-CB 3.15Å; T162-M165 PolarHBondContact O-N 3.36Å; T162-N166 PolarHBondContact O-N 3.07Å; T162-N166 PolarHBondContact OG1-ND2 3.47Å; T162-F223 HydrophobicContact CG2-CE1 3.9Å; T162-F223 HydrophobicContact CG2-CE2 4.34Å; T162-F223 HydrophobicContact CG2-CZ 3.68Å
163	C	96.3	Very high	95.7	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.027	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-34.9	-176.6	54.7	0	0	0	0	113.6	M165 N166 A167 H642 D660	C163-M165 VanDerWaalsContact C-N 3.32Å; C163-M165 PolarHBondContact O-N 3.31Å; C163-N166 PolarHBondContact O-N 2.74Å; C163-A167 WeakPolarHBondContact O-CB 3.21Å; C163-A167 PolarHBondContact O-N 3.45Å; C163-H642 WeakPolarHBondContact CB-CE1 3.49Å; C163-H642 VanDerWaalsContact CB-ND1 3.32Å; C163-H642 WeakPolarHBondContact CB-ND1 3.32Å; C163-H642 PolarHBondContact SG-ND1 2.92Å; C163-D660 WeakPolarHBondContact CA-OD1 3.4Å
164	Y	96.1	Very high	95.8	Very high	6 Å²	6	16.7 Å²	16.7	2%	0.024	10%	0.096	C	C	.	.	H	α-helix	trans	-58.6	-42.6	173.5	71.7	-91.4	0	0	0	112.2	N161 T162 A168 F233 Q239 F244	N161-Y164 WeakPolarHBondContact O-CD1 3.36Å; N161-Y164 WeakPolarHBondContact O-CE1 3.37Å; T162-Y164 VanDerWaalsContact C-N 3.28Å; T162-Y164 PolarHBondContact O-N 2.9Å; Y164-A168 VanDerWaalsContact O-CB 3.25Å; Y164-A168 WeakPolarHBondContact O-CB 3.38Å; Y164-A168 PolarHBondContact O-N 3.15Å; Y164-F233 AromaticContact CE2-CD1 3.77Å; Y164-F233 HydrophobicContact CE2-CD1 3.77Å; Y164-F233 AromaticContact CE2-CE1 3.79Å; Y164-F233 HydrophobicContact CE2-CE1 3.79Å; Y164-F233 AromaticContact CZ-CD1 3.98Å; Y164-F233 WeakPolarHBondContact OH-CD1 3.44Å; Y164-Q239 VanDerWaalsContact CB-O 3.24Å; Y164-Q239 WeakPolarHBondContact CB-O 3.36Å; Y164-Q239 HydrophobicContact CD1-CB 4.08Å; Y164-Q239 HydrophobicContact CD2-CB 4.08Å; Y164-Q239 HydrophobicContact CE1-CB 3.86Å; Y164-Q239 HydrophobicContact CE1-CG 4.18Å; Y164-Q239 HydrophobicContact CE2-CB 3.89Å; Y164-Q239 HydrophobicContact CG-CB 4.2Å; Y164-F244 HydrophobicContact CD2-CB 3.79Å; Y164-F244 HydrophobicContact CD2-CD2 4.31Å; Y164-F244 HydrophobicContact CD2-CG 4.06Å; Y164-F244 HydrophobicContact CE2-CB 3.98Å; Y164-F244 AromaticContact CE2-CD2 3.75Å; Y164-F244 HydrophobicContact CE2-CD2 3.75Å; Y164-F244 AromaticContact CE2-CG 3.97Å; Y164-F244 HydrophobicContact CE2-CG 3.97Å
165	M	96.4	Very high	95.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.7	-43.3	175.1	163.7	174.6	72.3	0	0	110.4	T162 C163 A168 L169 P219 F223 F244	T162-M165 HydrophobicContact CG2-CE 3.95Å; T162-M165 WeakPolarHBondContact O-CB 3.15Å; T162-M165 PolarHBondContact O-N 3.36Å; C163-M165 VanDerWaalsContact C-N 3.32Å; C163-M165 PolarHBondContact O-N 3.31Å; M165-A168 PolarHBondContact O-N 2.96Å; M165-L169 HydrophobicContact CG-CD1 3.45Å; M165-L169 VanDerWaalsContact CG-CD1 3.45Å; M165-L169 HydrophobicContact CG-CG 4.05Å; M165-L169 WeakPolarHBondContact O-CB 3.4Å; M165-L169 WeakPolarHBondContact O-CG 3.16Å; M165-L169 PolarHBondContact O-N 3.03Å; M165-L169 HydrophobicContact SD-CD1 4.04Å; M165-P219 HydrophobicContact CE-CG 3.88Å; M165-F223 HydrophobicContact CE-CB 3.96Å; M165-F223 HydrophobicContact CE-CD1 4.23Å; M165-F223 HydrophobicContact CE-CD2 3.53Å; M165-F223 HydrophobicContact CE-CE2 3.95Å; M165-F223 HydrophobicContact CE-CG 3.68Å; M165-F223 HydrophobicContact CE-CZ 4.44Å; M165-F223 HydrophobicContact SD-CB 4.02Å; M165-F223 HydrophobicContact SD-CD2 3.53Å; M165-F223 VanDerWaalsContact SD-CD2 3.53Å; M165-F223 HydrophobicContact SD-CE2 4.22Å; M165-F223 HydrophobicContact SD-CG 4.02Å; M165-F244 HydrophobicContact CB-CD1 4.32Å; M165-F244 HydrophobicContact CB-CD2 4.32Å; M165-F244 HydrophobicContact CB-CE1 4.02Å; M165-F244 HydrophobicContact CB-CE2 4Å; M165-F244 HydrophobicContact CB-CG 4.47Å; M165-F244 HydrophobicContact CB-CZ 3.86Å; M165-F244 HydrophobicContact CG-CE1 3.79Å; M165-F244 HydrophobicContact CG-CE2 3.92Å; M165-F244 HydrophobicContact CG-CZ 3.41Å; M165-F244 VanDerWaalsContact CG-CZ 3.41Å; M165-F244 HydrophobicContact SD-CE2 4.06Å; M165-F244 HydrophobicContact SD-CZ 3.85Å
166	N	97.6	Very high	95.7	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-65.8	-46	-175.5	-69.2	-17.6	0	0	0	111.2	L156 K157 T162 C163 A168 L169 Q170 D660	L156-N166 HydrophobicContact CB-CB 3.96Å; L156-N166 HydrophobicContact CD1-CB 4.27Å; L156-N166 PolarHBondContact O-ND2 3.4Å; K157-N166 PolarHBondContact O-ND2 2.82Å; T162-N166 PolarHBondContact O-N 3.07Å; T162-N166 PolarHBondContact OG1-ND2 3.47Å; C163-N166 PolarHBondContact O-N 2.74Å; N166-A168 PolarHBondContact O-N 3.08Å; N166-L169 PolarHBondContact O-N 3.34Å; N166-Q170 VanDerWaalsContact O-CG 3.29Å; N166-Q170 WeakPolarHBondContact O-CG 3.5Å; N166-Q170 PolarHBondContact O-N 3.15Å; N166-D660 WeakPolarHBondContact CB-OD1 3.15Å; N166-D660 PolarHBondContact ND2-OD1 2.76Å
167	A	98.3	Very high	95.6	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-43	174.5	0	0	0	0	0	112.3	C163 Q170 A171 I632 A645	C163-A167 WeakPolarHBondContact O-CB 3.21Å; C163-A167 PolarHBondContact O-N 3.45Å; A167-Q170 PolarHBondContact O-N 3.44Å; A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 3.13Å; A167-I632 HydrophobicContact CB-CG2 4.05Å; A167-A645 HydrophobicContact CB-CB 4.11Å
168	A	98.2	Very high	95.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.2	-44.1	175.1	0	0	0	0	0	113.1	Y164 M165 N166 A171 L172 F244 L245 I632	Y164-A168 VanDerWaalsContact O-CB 3.25Å; Y164-A168 WeakPolarHBondContact O-CB 3.38Å; Y164-A168 PolarHBondContact O-N 3.15Å; M165-A168 PolarHBondContact O-N 2.96Å; N166-A168 PolarHBondContact O-N 3.08Å; A168-A171 PolarHBondContact O-N 2.78Å; A168-L172 WeakPolarHBondContact O-CG 3.42Å; A168-L172 PolarHBondContact O-N 2.82Å; A168-F244 HydrophobicContact CB-CD1 3.63Å; A168-F244 HydrophobicContact CB-CE1 4.08Å; A168-L245 HydrophobicContact CB-CD2 3.71Å; A168-L245 HydrophobicContact CB-CG 3.74Å; A168-I632 HydrophobicContact CB-CD1 4.4Å
169	L	98.2	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.5	-36.5	177.5	-72	172.4	0	0	0	112.1	L156 M165 N166 S173 Y201 L204 P219 L222 F244 L248	L156-L169 HydrophobicContact CD1-CB 3.61Å; L156-L169 HydrophobicContact CD1-CD1 4.09Å; M165-L169 HydrophobicContact CG-CD1 3.45Å; M165-L169 VanDerWaalsContact CG-CD1 3.45Å; M165-L169 HydrophobicContact CG-CG 4.05Å; M165-L169 WeakPolarHBondContact O-CB 3.4Å; M165-L169 WeakPolarHBondContact O-CG 3.16Å; M165-L169 PolarHBondContact O-N 3.03Å; M165-L169 HydrophobicContact SD-CD1 4.04Å; N166-L169 PolarHBondContact O-N 3.34Å; L169-S173 WeakPolarHBondContact O-CB 3.3Å; L169-S173 PolarHBondContact O-N 2.78Å; L169-Y201 HydrophobicContact CD2-CD2 4.36Å; L169-Y201 HydrophobicContact CD2-CE2 4Å; L169-L204 HydrophobicContact CD1-CD2 3.93Å; L169-L204 HydrophobicContact CD2-CD2 4.19Å; L169-P219 HydrophobicContact CD1-CB 4.24Å; L169-P219 HydrophobicContact CD1-CG 4.4Å; L169-L222 HydrophobicContact CD1-CD2 4.23Å; L169-L222 HydrophobicContact CD2-CD2 3.71Å; L169-F244 HydrophobicContact CD2-CE1 4.42Å; L169-F244 HydrophobicContact CG-CE1 4.23Å; L169-L248 HydrophobicContact CD2-CD2 3.59Å
170	Q	98	Very high	95.9	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.009	7%	0.072	C	C	.	.	H	α-helix	trans	-69.3	-38.4	175.1	-65.9	-68.2	18	0	0	112.2	T154 L156 N166 A167 S173 N174 A645 F658	T154-Q170 PolarHBondContact O-NE2 3.09Å; L156-Q170 HydrophobicContact CD1-CG 4.11Å; N166-Q170 VanDerWaalsContact O-CG 3.29Å; N166-Q170 WeakPolarHBondContact O-CG 3.5Å; N166-Q170 PolarHBondContact O-N 3.15Å; A167-Q170 PolarHBondContact O-N 3.44Å; Q170-S173 PolarHBondContact O-N 3.14Å; Q170-N174 PolarHBondContact O-N 3.41Å; Q170-N174 PolarHBondContact O-ND2 3.03Å; Q170-A645 HydrophobicContact CB-CB 4.23Å; Q170-F658 HydrophobicContact CB-CB 4.24Å; Q170-F658 HydrophobicContact CB-CD1 4.41Å; Q170-F658 HydrophobicContact CB-CG 4.21Å; Q170-F658 HydrophobicContact CG-CB 3.91Å; Q170-F658 HydrophobicContact CG-CD1 3.87Å; Q170-F658 HydrophobicContact CG-CG 4Å; Q170-F658 VanDerWaalsContact NE2-CD1 3.3Å
171	A	98.1	Very high	96.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.5	-44.4	175.2	0	0	0	0	0	111.9	A167 A168 N174 C175 S630 I632 F680	A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 3.13Å; A168-A171 PolarHBondContact O-N 2.78Å; A171-N174 PolarHBondContact O-N 3.46Å; A171-C175 PolarHBondContact O-SG 3.46Å; A171-S630 WeakPolarHBondContact CB-OG 3.21Å; A171-I632 HydrophobicContact CB-CD1 3.93Å; A171-I632 HydrophobicContact CB-CG1 3.92Å; A171-F680 HydrophobicContact CB-CD2 3.87Å; A171-F680 HydrophobicContact CB-CE2 3.6Å; A171-F680 HydrophobicContact CB-CZ 4.29Å
172	L	97.9	Very high	96.3	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-69.3	-38.2	174.5	-69.7	174.8	0	0	0	113.1	A168 N174 C175 L178 Y201 L245 L248 F448 F680	A168-L172 WeakPolarHBondContact O-CG 3.42Å; A168-L172 PolarHBondContact O-N 2.82Å; L172-N174 PolarHBondContact O-N 3.42Å; L172-C175 WeakPolarHBondContact O-CB 3.33Å; L172-C175 PolarHBondContact O-N 2.93Å; L172-L178 HydrophobicContact CB-CD2 4.16Å; L172-L178 HydrophobicContact CD2-CD2 4.04Å; L172-Y201 WeakPolarHBondContact CB-OH 3.05Å; L172-L245 HydrophobicContact CD1-CD2 3.62Å; L172-L245 HydrophobicContact CD2-CD2 4.13Å; L172-L245 HydrophobicContact CG-CD2 3.67Å; L172-L248 HydrophobicContact CD1-CD2 3.87Å; L172-F448 HydrophobicContact CD2-CE1 4.45Å; L172-F448 HydrophobicContact CD2-CZ 3.83Å; L172-F680 HydrophobicContact CD2-CE1 3.92Å; L172-F680 HydrophobicContact CD2-CZ 4.23Å
173	S	97.1	Very high	96.2	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-60.4	-31.1	175.2	179.2	0	0	0	0	112.4	L169 Q170 T179 W209	L169-S173 WeakPolarHBondContact O-CB 3.3Å; L169-S173 PolarHBondContact O-N 2.78Å; Q170-S173 PolarHBondContact O-N 3.14Å; S173-T179 PolarHBondContact O-OG1 3.28Å; S173-W209 WeakPolarHBondContact O-CZ2 3.3Å; S173-W209 PolarHBondContact O-NE1 3.37Å; S173-W209 PolarHBondContact OG-NE1 2.82Å
174	N	95.8	Very high	95.8	Very high	6 Å²	6	11.1 Å²	11.1	3%	0.032	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	20.2	175.3	-69.1	-88.9	0	0	0	113.3	Q170 A171 L172 P176 C647	Q170-N174 PolarHBondContact O-N 3.41Å; Q170-N174 PolarHBondContact O-ND2 3.03Å; A171-N174 PolarHBondContact O-N 3.46Å; L172-N174 PolarHBondContact O-N 3.42Å; N174-P176 WeakPolarHBondContact O-CD 3.49Å; N174-C647 HydrophobicContact CB-CB 3.68Å; N174-C647 VanDerWaalsContact CG-CB 3.5Å
175	C	96.6	Very high	95.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.			trans	-97.3	98.7	166.3	-69.1	0	0	0	0	110.1	A171 L172 P177 L178 T179	A171-C175 PolarHBondContact O-SG 3.46Å; L172-C175 WeakPolarHBondContact O-CB 3.33Å; L172-C175 PolarHBondContact O-N 2.93Å; C175-P177 VanDerWaalsContact C-CD 3.49Å; C175-L178 HydrophobicContact CB-CB 4.31Å; C175-L178 PolarHBondContact O-N 3.19Å; C175-T179 PolarHBondContact O-N 3.46Å; C175-T179 VanDerWaalsContact O-N 3.08Å; C175-T179 PolarHBondContact O-OG1 3.47Å
176	P	93.9	Very high	94.7	Very high	20 Å²	20	11.8 Å²	11.8	13%	0.13	7%	0.067	C	C	.	.	H	α-helix	trans	-56.2	-39.4	-170.8	-24.3	34.1	0	0	0	115.4	N174 L178 Q180 N650 T721	N174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-L178 VanDerWaalsContact C-N 3.26Å; P176-L178 PolarHBondContact O-N 2.82Å; P176-Q180 VanDerWaalsContact O-CB 3.29Å; P176-Q180 WeakPolarHBondContact O-CB 3.42Å; P176-Q180 VanDerWaalsContact O-CG 3.29Å; P176-Q180 WeakPolarHBondContact O-CG 3.46Å; P176-Q180 PolarHBondContact O-N 3.43Å; P176-N650 HydrophobicContact CG-CB 3.93Å; P176-T721 HydrophobicContact CB-CG2 4.48Å
177	P	95.7	Very high	93.9	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.032	8%	0.077	C	C	.	.	H	α-helix	trans	-57.8	-35	174.8	-26.6	35.7	0	0	0	114.3	C175 F181 I447 E579 I580 F722	C175-P177 VanDerWaalsContact C-CD 3.49Å; P177-F181 WeakPolarHBondContact O-CB 3.45Å; P177-F181 PolarHBondContact O-N 3.27Å; P177-I447 HydrophobicContact CB-CD1 3.8Å; P177-I447 HydrophobicContact CB-CG1 3.85Å; P177-I447 HydrophobicContact CB-CG2 4.32Å; P177-E579 HydrophobicContact CG-CG 4.29Å; P177-I580 HydrophobicContact CG-CD1 4.07Å; P177-I580 HydrophobicContact CG-CG1 4.15Å; P177-F722 HydrophobicContact CB-CD1 4.19Å; P177-F722 HydrophobicContact CB-CE1 3.78Å
178	L	96.6	Very high	93.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-81.8	-49.1	-178.4	-175	65.5	0	0	0	110.6	L172 C175 P176 F181 F182 Y201 I444 I447 F448	L172-L178 HydrophobicContact CB-CD2 4.16Å; L172-L178 HydrophobicContact CD2-CD2 4.04Å; C175-L178 HydrophobicContact CB-CB 4.31Å; C175-L178 PolarHBondContact O-N 3.19Å; P176-L178 VanDerWaalsContact C-N 3.26Å; P176-L178 PolarHBondContact O-N 2.82Å; L178-F181 PolarHBondContact O-N 3.38Å; L178-F182 HydrophobicContact CD1-CD2 4.3Å; L178-F182 HydrophobicContact CD1-CE2 3.85Å; L178-F182 HydrophobicContact CG-CD2 4.4Å; L178-F182 HydrophobicContact CG-CE2 4.31Å; L178-F182 WeakPolarHBondContact O-CD2 3.3Å; L178-F182 PolarHBondContact O-N 3.03Å; L178-Y201 HydrophobicContact CD2-CE1 4.41Å; L178-Y201 HydrophobicContact CG-CE1 4.47Å; L178-I444 HydrophobicContact CD1-CD1 3.77Å; L178-I447 HydrophobicContact CB-CD1 3.82Å; L178-I447 HydrophobicContact CD1-CD1 3.99Å; L178-F448 HydrophobicContact CD2-CE2 4.21Å; L178-F448 HydrophobicContact CD2-CZ 4.29Å
179	T	95.5	Very high	92.5	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-46.3	-177.9	-60.3	0	0	0	0	111.4	S173 C175 F181 F182 L183 M205 W209	S173-T179 PolarHBondContact O-OG1 3.28Å; C175-T179 PolarHBondContact O-N 3.46Å; C175-T179 VanDerWaalsContact O-N 3.08Å; C175-T179 PolarHBondContact O-OG1 3.47Å; T179-F181 VanDerWaalsContact C-N 3.31Å; T179-F181 PolarHBondContact O-N 2.88Å; T179-F182 PolarHBondContact O-N 3.02Å; T179-F182 VanDerWaalsContact O-N 3.12Å; T179-L183 HydrophobicContact CG2-CD1 3.97Å; T179-L183 HydrophobicContact CG2-CG 4.43Å; T179-L183 WeakPolarHBondContact O-CG 3.44Å; T179-L183 PolarHBondContact O-N 2.66Å; T179-M205 HydrophobicContact CG2-SD 4.36Å; T179-W209 HydrophobicContact CG2-CD2 4.16Å; T179-W209 HydrophobicContact CG2-CG 4.11Å; T179-W209 HydrophobicContact CG2-CZ2 4.5Å
180	Q	93	Very high	91.6	Very high	68 Å²	68	20 Å²	20	32%	0.318	11%	0.107	S	C	.	.	H	α-helix	trans	-69.9	-27	178.7	-59.2	-65.9	44.9	0	0	112.4	P176 F182 L183 D184 N717 T721	P176-Q180 VanDerWaalsContact O-CB 3.29Å; P176-Q180 WeakPolarHBondContact O-CB 3.42Å; P176-Q180 VanDerWaalsContact O-CG 3.29Å; P176-Q180 WeakPolarHBondContact O-CG 3.46Å; P176-Q180 PolarHBondContact O-N 3.43Å; Q180-F182 VanDerWaalsContact C-N 3.33Å; Q180-L183 PolarHBondContact O-N 2.88Å; Q180-D184 VanDerWaalsContact O-CB 3.29Å; Q180-D184 WeakPolarHBondContact O-CB 3.21Å; Q180-D184 PolarHBondContact O-N 2.98Å; Q180-N717 WeakPolarHBondContact CB-ND2 3.49Å; Q180-N717 PolarHBondContact O-ND2 3.41Å; Q180-N717 VanDerWaalsContact O-ND2 3.08Å; Q180-T721 HydrophobicContact CB-CG2 4.13Å; Q180-T721 HydrophobicContact CG-CG2 4.13Å
181	F	94.7	Very high	90.8	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-42.7	169.3	171.3	-91.7	0	0	0	111.2	P177 L178 T179 C185 L188 L256 V443 Q714	P177-F181 WeakPolarHBondContact O-CB 3.45Å; P177-F181 PolarHBondContact O-N 3.27Å; L178-F181 PolarHBondContact O-N 3.38Å; T179-F181 VanDerWaalsContact C-N 3.31Å; T179-F181 PolarHBondContact O-N 2.88Å; F181-C185 HydrophobicContact CD2-CB 4.01Å; F181-C185 HydrophobicContact CE2-CB 4.16Å; F181-C185 CarbonylContact O-C 3.48Å; F181-C185 WeakPolarHBondContact O-CA 3.28Å; F181-C185 WeakPolarHBondContact O-CB 3.46Å; F181-C185 PolarHBondContact O-N 3.48Å; F181-L188 HydrophobicContact CE2-CB 4.23Å; F181-L188 HydrophobicContact CE2-CD1 3.74Å; F181-L188 HydrophobicContact CZ-CB 3.87Å; F181-L188 HydrophobicContact CZ-CD1 4.23Å; F181-L256 HydrophobicContact CE1-CD1 4.35Å; F181-V443 HydrophobicContact CB-CG2 3.91Å; F181-V443 HydrophobicContact CD1-CB 4.08Å; F181-V443 HydrophobicContact CD1-CG1 3.9Å; F181-V443 HydrophobicContact CD1-CG2 3.8Å; F181-V443 HydrophobicContact CD2-CB 4.21Å; F181-V443 HydrophobicContact CD2-CG2 3.86Å; F181-V443 HydrophobicContact CE1-CB 4.05Å; F181-V443 HydrophobicContact CE1-CG1 3.72Å; F181-V443 HydrophobicContact CE1-CG2 4.29Å; F181-V443 HydrophobicContact CE2-CB 4.17Å; F181-V443 HydrophobicContact CE2-CG2 4.33Å; F181-V443 HydrophobicContact CG-CB 4.16Å; F181-V443 HydrophobicContact CG-CG1 4.48Å; F181-V443 HydrophobicContact CG-CG2 3.56Å; F181-V443 HydrophobicContact CZ-CB 4.09Å; F181-V443 HydrophobicContact CZ-CG1 4.14Å; F181-Q714 HydrophobicContact CD2-CG 4.41Å; F181-Q714 HydrophobicContact CE2-CG 4.18Å
182	F	94.8	Very high	89.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-33.2	176.8	-79.2	-74.7	0	0	0	113	L178 T179 Q180 G186 A189 C198 Y201 L202 M205 L252 L256	L178-F182 HydrophobicContact CD1-CD2 4.3Å; L178-F182 HydrophobicContact CD1-CE2 3.85Å; L178-F182 HydrophobicContact CG-CD2 4.4Å; L178-F182 HydrophobicContact CG-CE2 4.31Å; L178-F182 WeakPolarHBondContact O-CD2 3.3Å; L178-F182 PolarHBondContact O-N 3.03Å; T179-F182 PolarHBondContact O-N 3.02Å; T179-F182 VanDerWaalsContact O-N 3.12Å; Q180-F182 VanDerWaalsContact C-N 3.33Å; F182-G186 WeakPolarHBondContact O-CA 3.32Å; F182-G186 PolarHBondContact O-N 3.47Å; F182-A189 HydrophobicContact CD1-CB 4.11Å; F182-A189 HydrophobicContact CE1-CB 3.93Å; F182-C198 HydrophobicContact CE1-CB 4.42Å; F182-Y201 HydrophobicContact CD1-CD1 4.31Å; F182-Y201 AromaticContact CD2-CD1 3.57Å; F182-Y201 HydrophobicContact CD2-CD1 3.57Å; F182-Y201 AromaticContact CD2-CE1 3.54Å; F182-Y201 HydrophobicContact CD2-CE1 3.54Å; F182-Y201 HydrophobicContact CE1-CD1 4.12Å; F182-Y201 AromaticContact CE2-CD1 3.35Å; F182-Y201 HydrophobicContact CE2-CD1 3.35Å; F182-Y201 AromaticContact CE2-CE1 3.52Å; F182-Y201 HydrophobicContact CE2-CE1 3.52Å; F182-Y201 HydrophobicContact CE2-CG 4.47Å; F182-Y201 HydrophobicContact CG-CD1 4.05Å; F182-Y201 HydrophobicContact CG-CE1 4.32Å; F182-Y201 AromaticContact CZ-CD1 3.65Å; F182-Y201 HydrophobicContact CZ-CD1 3.65Å; F182-Y201 HydrophobicContact CZ-CE1 4.28Å; F182-Y201 HydrophobicContact CZ-CG 4.47Å; F182-L202 HydrophobicContact CB-CD1 4.08Å; F182-L202 HydrophobicContact CD1-CB 3.8Å; F182-L202 HydrophobicContact CD1-CD1 4.17Å; F182-L202 HydrophobicContact CE1-CB 4.33Å; F182-L202 WeakPolarHBondContact O-CD1 3.49Å; F182-M205 HydrophobicContact CB-CB 4.35Å; F182-M205 HydrophobicContact CB-CG 4.19Å; F182-L252 HydrophobicContact CZ-CD2 4.24Å; F182-L256 HydrophobicContact CE1-CD1 4.34Å; F182-L256 HydrophobicContact CZ-CD1 3.86Å
183	L	91.4	Very high	88.8	Confident	62 Å²	62	33.2 Å²	33.2	33%	0.325	17%	0.173	S	C	.	.	H	α-helix	trans	-78.1	-61	178.1	-61.8	178.7	0	0	0	112.3	T179 Q180 C185 M205 W209	T179-L183 HydrophobicContact CG2-CD1 3.97Å; T179-L183 HydrophobicContact CG2-CG 4.43Å; T179-L183 WeakPolarHBondContact O-CG 3.44Å; T179-L183 PolarHBondContact O-N 2.66Å; Q180-L183 PolarHBondContact O-N 2.88Å; L183-C185 PolarHBondContact O-N 2.8Å; L183-M205 HydrophobicContact CD2-CB 4.44Å; L183-W209 HydrophobicContact CD1-CB 3.96Å; L183-W209 HydrophobicContact CD1-CG 4.27Å
184	D	87.2	Confident	88	Confident	45 Å²	45	42.7 Å²	42.7	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-32.4	-178.1	-66.4	17.4	0	0	0	112.7	Q180 N717 K720	Q180-D184 VanDerWaalsContact O-CB 3.29Å; Q180-D184 WeakPolarHBondContact O-CB 3.21Å; Q180-D184 PolarHBondContact O-N 2.98Å; D184-N717 PolarHBondContact OD2-ND2 3.36Å; D184-K720 WeakPolarHBondContact OD2-CD 3.33Å; D184-K720 IonicContact OD2-NZ 3.94Å; D184-K720 PolarHBondContact OD2-NZ 3.37Å
185	C	87.4	Confident	87.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	27.8	-173.4	-51.9	0	0	0	0	112.5	F181 L183 G187 L188	F181-C185 HydrophobicContact CD2-CB 4.01Å; F181-C185 HydrophobicContact CE2-CB 4.16Å; F181-C185 CarbonylContact O-C 3.48Å; F181-C185 WeakPolarHBondContact O-CA 3.28Å; F181-C185 WeakPolarHBondContact O-CB 3.46Å; F181-C185 PolarHBondContact O-N 3.48Å; L183-C185 PolarHBondContact O-N 2.8Å; C185-G187 PolarHBondContact O-N 3.32Å; C185-L188 HydrophobicContact CB-CD1 3.97Å; C185-L188 HydrophobicContact CB-CG 4.36Å; C185-L188 WeakPolarHBondContact O-CB 3.46Å; C185-L188 PolarHBondContact O-N 3.29Å
186	G	82.6	Confident	87.1	Confident	19 Å²	19	45.1 Å²	45.1	20%	0.196	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-54.7	-25.8	178.3	0	0	0	0	0	114.2	F182 L188 A189	F182-G186 WeakPolarHBondContact O-CA 3.32Å; F182-G186 PolarHBondContact O-N 3.47Å; G186-L188 PolarHBondContact O-N 3.38Å; G186-A189 WeakPolarHBondContact O-CB 3.33Å; G186-A189 PolarHBondContact O-N 3.08Å
187	G	81.1	Confident	87.2	Confident	22 Å²	22	44.1 Å²	44.1	23%	0.227	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.6	-18.3	170.6	0	0	0	0	0	115.3	C185 R190 D750	C185-G187 PolarHBondContact O-N 3.32Å; G187-R190 VanDerWaalsContact O-CD 3.28Å; G187-R190 WeakPolarHBondContact O-CD 3.39Å; G187-R190 VanDerWaalsContact O-CG 3.32Å; G187-R190 WeakPolarHBondContact O-CG 3.42Å; G187-R190 PolarHBondContact O-NE 2.85Å; G187-D750 VanDerWaalsContact CA-OD2 3.3Å; G187-D750 WeakPolarHBondContact CA-OD2 3.39Å
188	L	83.3	Confident	87.1	Confident	34 Å²	34	43.9 Å²	43.9	18%	0.178	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-83.2	-16.4	170.5	-69.4	177.3	0	0	0	113.5	F181 C185 G186 R190 Q714 L751	F181-L188 HydrophobicContact CE2-CB 4.23Å; F181-L188 HydrophobicContact CE2-CD1 3.74Å; F181-L188 HydrophobicContact CZ-CB 3.87Å; F181-L188 HydrophobicContact CZ-CD1 4.23Å; C185-L188 HydrophobicContact CB-CD1 3.97Å; C185-L188 HydrophobicContact CB-CG 4.36Å; C185-L188 WeakPolarHBondContact O-CB 3.46Å; C185-L188 PolarHBondContact O-N 3.29Å; G186-L188 PolarHBondContact O-N 3.38Å; L188-R190 PolarHBondContact O-N 3.09Å; L188-Q714 HydrophobicContact CD1-CB 3.99Å; L188-Q714 HydrophobicContact CD1-CG 4.11Å; L188-L751 HydrophobicContact CD2-CD2 3.35Å; L188-L751 HydrophobicContact CG-CD2 4.35Å
189	A	84.6	Confident	86.9	Confident	3 Å²	3	48.1 Å²	48.1	3%	0.025	24%	0.242	C	C	.	.			trans	-77.9	52.6	-177.8	0	0	0	0	0	112.7	F182 G186 K199 L202	F182-A189 HydrophobicContact CD1-CB 4.11Å; F182-A189 HydrophobicContact CE1-CB 3.93Å; G186-A189 WeakPolarHBondContact O-CB 3.33Å; G186-A189 PolarHBondContact O-N 3.08Å; A189-K199 WeakPolarHBondContact O-CG 3.33Å; A189-L202 HydrophobicContact CB-CD2 4.17Å
190	R	78.8	Confident	86.9	Confident	118 Å²	118	49 Å²	49	45%	0.445	25%	0.248	S	C	.	.			trans	-102.3	117.3	-174.2	-65.3	179.2	-177.8	-135.4	-2.7	110.8	G187 L188 Y747 D750	G187-R190 VanDerWaalsContact O-CD 3.28Å; G187-R190 WeakPolarHBondContact O-CD 3.39Å; G187-R190 VanDerWaalsContact O-CG 3.32Å; G187-R190 WeakPolarHBondContact O-CG 3.42Å; G187-R190 PolarHBondContact O-NE 2.85Å; L188-R190 PolarHBondContact O-N 3.09Å; R190-Y747 VanDerWaalsContact NH1-CG 3.32Å; R190-Y747 VanDerWaalsContact NH2-CB 3.29Å; R190-D750 IonicContact CZ-OD2 2.67Å; R190-D750 IonicContact NE-OD2 2.71Å; R190-D750 IonicContact NH2-OD2 3.64Å; R190-D750 PolarHBondContact NH2-OD2 3.31Å
191	T	81.4	Confident	87.1	Confident	11 Å²	11	45.8 Å²	45.8	7%	0.067	23%	0.233	C	C	.	.			trans	-134.8	143.3	168.5	-172.7	0	0	0	0	110.7	K193 A196 C198 K199	T191-K193 WeakPolarHBondContact OG1-CB 3.32Å; T191-K193 PolarHBondContact OG1-N 3.23Å; T191-A196 HydrophobicContact CG2-CB 3.55Å; T191-C198 VanDerWaalsContact CG2-SG 3.56Å; T191-K199 PolarHBondContact O-NZ 3.24Å
192	D	75	Confident	87.1	Confident	162 Å²	162	47.2 Å²	47.2	87%	0.866	24%	0.241	S	C	*	.			trans	-99.4	-3.8	170	-61.7	-44.8	0	0	0	112.2
193	K	77.7	Confident	87.1	Confident	109 Å²	109	51.8 Å²	51.8	47%	0.474	26%	0.261	S	S	.	.	S	Bend	trans	-64.8	152.1	170.9	-58.8	179.1	-179.5	179.1	0	110	T191 E254 E255	T191-K193 WeakPolarHBondContact OG1-CB 3.32Å; T191-K193 PolarHBondContact OG1-N 3.23Å; K193-E254 PolarHBondContact NZ-O 3.41Å; K193-E255 HydrophobicContact CD-CG 4.33Å
194	K	80.3	Confident	87.4	Confident	200 Å²	200	49 Å²	49	87%	0.87	25%	0.246	S	C	*	.	S	Bend	trans	-131.8	135.2	175.7	-70.3	-174.1	-179.9	178.9	0	110.3
195	P	84.2	Confident	87.8	Confident	35 Å²	35	46.9 Å²	46.9	23%	0.227	24%	0.235	C	C	.	.	S	Bend	cis	-61.3	154.8	-8	31.1	-37.5	0	0	0	111.4	I197 T228 V229 E255	P195-I197 HydrophobicContact CB-CD1 4.33Å; P195-I197 HydrophobicContact CG-CD1 4.06Å; P195-T228 HydrophobicContact CG-CG2 4.39Å; P195-V229 HydrophobicContact CG-CG2 3.5Å; P195-E255 VanDerWaalsContact O-OE1 3.11Å
196	A	90.8	Very high	88.1	Confident	21 Å²	21	50 Å²	50	17%	0.174	25%	0.254	C	S	.	.			trans	-97.8	94.3	178.6	0	0	0	0	0	109.1	T191 K199 S200	T191-A196 HydrophobicContact CG2-CB 3.55Å; A196-K199 HydrophobicContact CB-CB 4.05Å; A196-K199 HydrophobicContact CB-CD 4.05Å; A196-K199 HydrophobicContact CB-CG 4.35Å; A196-S200 WeakPolarHBondContact O-CB 3.43Å; A196-S200 PolarHBondContact O-N 3.07Å; A196-S200 PolarHBondContact O-OG 3.28Å
197	I	94.3	Very high	88.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-44.5	-175.8	-55.9	-57	0	0	0	110.6	P195 K199 S200 Y201 L222 I226 L248 L251 L252 E255	P195-I197 HydrophobicContact CB-CD1 4.33Å; P195-I197 HydrophobicContact CG-CD1 4.06Å; I197-K199 PolarHBondContact O-N 3.3Å; I197-S200 CarbonylContact O-C 3.5Å; I197-S200 WeakPolarHBondContact O-CB 3.32Å; I197-S200 PolarHBondContact O-N 2.98Å; I197-S200 VanDerWaalsContact O-N 3.08Å; I197-Y201 WeakPolarHBondContact O-CB 3.37Å; I197-Y201 PolarHBondContact O-N 3.19Å; I197-L222 HydrophobicContact CG2-CD1 3.82Å; I197-I226 HydrophobicContact CD1-CG1 4.36Å; I197-L248 HydrophobicContact CG2-CD1 3.92Å; I197-L251 HydrophobicContact CG1-CB 4.39Å; I197-L251 HydrophobicContact CG1-CD1 4.43Å; I197-L251 HydrophobicContact CG2-CB 4.24Å; I197-L252 HydrophobicContact CG2-CD2 4.05Å; I197-L252 HydrophobicContact CG2-CG 4.48Å; I197-E255 WeakPolarHBondContact CB-OE1 3.5Å; I197-E255 WeakPolarHBondContact CG1-OE1 3.35Å; I197-E255 VanDerWaalsContact N-CD 3.31Å; I197-E255 PolarHBondContact N-OE1 3.22Å; I197-E255 PolarHBondContact N-OE2 3.13Å
198	C	94.3	Very high	89.3	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-38.2	-178.8	73.9	0	0	0	0	112.7	F182 T191 S200 Y201 L202 L252 E255 L256	F182-C198 HydrophobicContact CE1-CB 4.42Å; T191-C198 VanDerWaalsContact CG2-SG 3.56Å; C198-S200 VanDerWaalsContact C-N 3.34Å; C198-Y201 PolarHBondContact O-N 3.03Å; C198-L202 VanDerWaalsContact O-CB 3.27Å; C198-L202 WeakPolarHBondContact O-CB 3.49Å; C198-L202 PolarHBondContact O-N 2.96Å; C198-L252 HydrophobicContact CB-CD2 3.89Å; C198-E255 HydrophobicContact CB-CB 4.39Å; C198-E255 WeakPolarHBondContact CB-OE2 3.45Å; C198-E255 PolarHBondContact N-OE2 3.19Å; C198-E255 PolarHBondContact SG-OE2 2.92Å; C198-E255 VanDerWaalsContact SG-OE2 3.34Å; C198-L256 HydrophobicContact CB-CD1 4.08Å; C198-L256 HydrophobicContact CB-CD2 3.81Å; C198-L256 HydrophobicContact CB-CG 3.98Å
199	K	93.6	Very high	89.7	Confident	90 Å²	90	51.1 Å²	51.1	39%	0.391	25%	0.246	S	C	.	.	H	α-helix	trans	-69.4	-32	173.9	-71.1	175.1	174.1	165.3	0	112.2	A189 T191 A196 I197 K203	A189-K199 WeakPolarHBondContact O-CG 3.33Å; T191-K199 PolarHBondContact O-NZ 3.24Å; A196-K199 HydrophobicContact CB-CB 4.05Å; A196-K199 HydrophobicContact CB-CD 4.05Å; A196-K199 HydrophobicContact CB-CG 4.35Å; I197-K199 PolarHBondContact O-N 3.3Å; K199-K203 PolarHBondContact O-N 3.37Å
200	S	95.1	Very high	90	Very high	22 Å²	22	55.6 Å²	55.6	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-74.7	-36.5	175.7	-56.7	0	0	0	0	112.1	A196 I197 C198 L204	A196-S200 WeakPolarHBondContact O-CB 3.43Å; A196-S200 PolarHBondContact O-N 3.07Å; A196-S200 PolarHBondContact O-OG 3.28Å; I197-S200 CarbonylContact O-C 3.5Å; I197-S200 WeakPolarHBondContact O-CB 3.32Å; I197-S200 PolarHBondContact O-N 2.98Å; I197-S200 VanDerWaalsContact O-N 3.08Å; C198-S200 VanDerWaalsContact C-N 3.34Å; S200-L204 PolarHBondContact O-N 3.47Å
201	Y	96.6	Very high	90.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-44.9	174.2	-171	-87.5	0	0	0	111.7	L169 L172 L178 F182 I197 C198 K203 L204 M205 L222 L248 L252	L169-Y201 HydrophobicContact CD2-CD2 4.36Å; L169-Y201 HydrophobicContact CD2-CE2 4Å; L172-Y201 WeakPolarHBondContact CB-OH 3.05Å; L178-Y201 HydrophobicContact CD2-CE1 4.41Å; L178-Y201 HydrophobicContact CG-CE1 4.47Å; F182-Y201 HydrophobicContact CD1-CD1 4.31Å; F182-Y201 AromaticContact CD2-CD1 3.57Å; F182-Y201 HydrophobicContact CD2-CD1 3.57Å; F182-Y201 AromaticContact CD2-CE1 3.54Å; F182-Y201 HydrophobicContact CD2-CE1 3.54Å; F182-Y201 HydrophobicContact CE1-CD1 4.12Å; F182-Y201 AromaticContact CE2-CD1 3.35Å; F182-Y201 HydrophobicContact CE2-CD1 3.35Å; F182-Y201 AromaticContact CE2-CE1 3.52Å; F182-Y201 HydrophobicContact CE2-CE1 3.52Å; F182-Y201 HydrophobicContact CE2-CG 4.47Å; F182-Y201 HydrophobicContact CG-CD1 4.05Å; F182-Y201 HydrophobicContact CG-CE1 4.32Å; F182-Y201 AromaticContact CZ-CD1 3.65Å; F182-Y201 HydrophobicContact CZ-CD1 3.65Å; F182-Y201 HydrophobicContact CZ-CE1 4.28Å; F182-Y201 HydrophobicContact CZ-CG 4.47Å; I197-Y201 WeakPolarHBondContact O-CB 3.37Å; I197-Y201 PolarHBondContact O-N 3.19Å; C198-Y201 PolarHBondContact O-N 3.03Å; Y201-K203 VanDerWaalsContact C-N 3.33Å; Y201-K203 PolarHBondContact O-N 2.87Å; Y201-L204 WeakPolarHBondContact O-CB 3.44Å; Y201-L204 PolarHBondContact O-N 3.17Å; Y201-M205 HydrophobicContact CD1-CE 4.49Å; Y201-M205 HydrophobicContact CD1-CG 3.8Å; Y201-M205 HydrophobicContact CD1-SD 4.5Å; Y201-M205 HydrophobicContact CE1-CE 3.88Å; Y201-M205 HydrophobicContact CE1-CG 3.43Å; Y201-M205 VanDerWaalsContact CE1-CG 3.43Å; Y201-M205 HydrophobicContact CE1-SD 3.64Å; Y201-M205 HydrophobicContact CE2-CE 3.92Å; Y201-M205 WeakPolarHBondContact O-CG 3.17Å; Y201-M205 PolarHBondContact O-N 3.34Å; Y201-L222 HydrophobicContact CD2-CD2 3.98Å; Y201-L248 HydrophobicContact CD2-CD1 4.47Å; Y201-L248 HydrophobicContact CD2-CD2 4.24Å; Y201-L248 HydrophobicContact CE2-CD2 4.12Å; Y201-L252 HydrophobicContact CD1-CD1 4.49Å; Y201-L252 HydrophobicContact CD2-CD1 4.24Å; Y201-L252 HydrophobicContact CG-CD1 4.23Å; Y201-L252 HydrophobicContact CG-CD2 4.49Å
202	L	95.7	Very high	90.5	Very high	37 Å²	37	58.5 Å²	58.5	19%	0.194	29%	0.291	C	S	.	.	H	α-helix	trans	-48.4	-55.2	171	170.3	58.2	0	0	0	110.9	F182 A189 C198 L204 M205 T206	F182-L202 HydrophobicContact CB-CD1 4.08Å; F182-L202 HydrophobicContact CD1-CB 3.8Å; F182-L202 HydrophobicContact CD1-CD1 4.17Å; F182-L202 HydrophobicContact CE1-CB 4.33Å; F182-L202 WeakPolarHBondContact O-CD1 3.49Å; A189-L202 HydrophobicContact CB-CD2 4.17Å; C198-L202 VanDerWaalsContact O-CB 3.27Å; C198-L202 WeakPolarHBondContact O-CB 3.49Å; C198-L202 PolarHBondContact O-N 2.96Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 PolarHBondContact O-N 3.41Å; L202-M205 PolarHBondContact O-N 3Å; L202-M205 VanDerWaalsContact O-N 3.13Å; L202-T206 PolarHBondContact O-N 3.15Å; L202-T206 PolarHBondContact O-OG1 3.33Å; L202-T206 VanDerWaalsContact O-OG1 3.08Å
203	K	94.8	Very high	90.8	Very high	96 Å²	96	55.7 Å²	55.7	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-56	-43.6	178.9	-176.3	-177.5	-179.5	-135.5	0	111.6	K199 Y201 T206 E207	K199-K203 PolarHBondContact O-N 3.37Å; Y201-K203 VanDerWaalsContact C-N 3.33Å; Y201-K203 PolarHBondContact O-N 2.87Å; K203-T206 PolarHBondContact O-N 3.5Å; K203-E207 WeakPolarHBondContact CE-OE1 3.37Å; K203-E207 IonicContact NZ-OE1 2.68Å; K203-E207 PolarHBondContact NZ-OE1 2.89Å; K203-E207 IonicContact NZ-OE2 2.65Å; K203-E207 WeakPolarHBondContact O-CG 3.27Å; K203-E207 PolarHBondContact O-N 3.48Å
204	L	95.9	Very high	91.1	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-41.6	179	-176	63.7	0	0	0	112	L156 L169 S200 Y201 L202 T206 E207 L208 V217 P219 L222	L156-L204 HydrophobicContact CD2-CD1 4.02Å; L169-L204 HydrophobicContact CD1-CD2 3.93Å; L169-L204 HydrophobicContact CD2-CD2 4.19Å; S200-L204 PolarHBondContact O-N 3.47Å; Y201-L204 WeakPolarHBondContact O-CB 3.44Å; Y201-L204 PolarHBondContact O-N 3.17Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 PolarHBondContact O-N 3.41Å; L204-T206 VanDerWaalsContact C-N 3.35Å; L204-E207 PolarHBondContact O-N 3.07Å; L204-L208 HydrophobicContact CD1-CD1 4.46Å; L204-L208 HydrophobicContact CD1-CG 4.23Å; L204-L208 HydrophobicContact CG-CD1 4.13Å; L204-L208 HydrophobicContact CG-CG 4.3Å; L204-L208 WeakPolarHBondContact O-CB 3.47Å; L204-L208 WeakPolarHBondContact O-CG 3.32Å; L204-L208 PolarHBondContact O-N 2.9Å; L204-V217 HydrophobicContact CD1-CG1 3.75Å; L204-P219 HydrophobicContact CD1-CB 4.05Å; L204-P219 HydrophobicContact CD2-CB 3.98Å; L204-L222 HydrophobicContact CD2-CD2 3.76Å
205	M	95.9	Very high	91.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-43.6	175.2	-63.9	-58.7	99.1	0	0	111.1	T179 F182 L183 Y201 L202 E207 L208 W209	T179-M205 HydrophobicContact CG2-SD 4.36Å; F182-M205 HydrophobicContact CB-CB 4.35Å; F182-M205 HydrophobicContact CB-CG 4.19Å; L183-M205 HydrophobicContact CD2-CB 4.44Å; Y201-M205 HydrophobicContact CD1-CE 4.49Å; Y201-M205 HydrophobicContact CD1-CG 3.8Å; Y201-M205 HydrophobicContact CD1-SD 4.5Å; Y201-M205 HydrophobicContact CE1-CE 3.88Å; Y201-M205 HydrophobicContact CE1-CG 3.43Å; Y201-M205 VanDerWaalsContact CE1-CG 3.43Å; Y201-M205 HydrophobicContact CE1-SD 3.64Å; Y201-M205 HydrophobicContact CE2-CE 3.92Å; Y201-M205 WeakPolarHBondContact O-CG 3.17Å; Y201-M205 PolarHBondContact O-N 3.34Å; L202-M205 PolarHBondContact O-N 3Å; L202-M205 VanDerWaalsContact O-N 3.13Å; M205-E207 VanDerWaalsContact C-N 3.31Å; M205-E207 PolarHBondContact O-N 3.48Å; M205-L208 HydrophobicContact CE-CD1 3.93Å; M205-L208 PolarHBondContact O-N 2.94Å; M205-W209 WeakPolarHBondContact O-CB 3.46Å; M205-W209 PolarHBondContact O-N 3.04Å
206	T	93.8	Very high	92	Very high	66 Å²	66	46.6 Å²	46.6	41%	0.405	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-37.8	174.8	-47.3	0	0	0	0	112.5	L202 K203 L204 H210	L202-T206 PolarHBondContact O-N 3.15Å; L202-T206 PolarHBondContact O-OG1 3.33Å; L202-T206 VanDerWaalsContact O-OG1 3.08Å; K203-T206 PolarHBondContact O-N 3.5Å; L204-T206 VanDerWaalsContact C-N 3.35Å; T206-H210 WeakPolarHBondContact O-CA 3.45Å; T206-H210 WeakPolarHBondContact O-CB 3.35Å; T206-H210 PolarHBondContact O-N 3.08Å
207	E	94.2	Very high	92.3	Very high	64 Å²	64	46.2 Å²	46.2	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-73.7	-39.6	177.3	-73.4	177.4	152.5	0	0	112.8	K203 L204 M205 V217	K203-E207 WeakPolarHBondContact CE-OE1 3.37Å; K203-E207 IonicContact NZ-OE1 2.68Å; K203-E207 PolarHBondContact NZ-OE1 2.89Å; K203-E207 IonicContact NZ-OE2 2.65Å; K203-E207 WeakPolarHBondContact O-CG 3.27Å; K203-E207 PolarHBondContact O-N 3.48Å; L204-E207 PolarHBondContact O-N 3.07Å; M205-E207 VanDerWaalsContact C-N 3.31Å; M205-E207 PolarHBondContact O-N 3.48Å; E207-V217 HydrophobicContact CB-CG1 4.08Å; E207-V217 HydrophobicContact CB-CG2 4.09Å
208	L	94.4	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.8	-40.2	178.3	-71	-179.1	0	0	0	112.9	G152 T154 L156 L204 M205 V217	G152-L208 WeakPolarHBondContact CA-O 3.48Å; T154-L208 WeakPolarHBondContact CB-O 3.4Å; T154-L208 HydrophobicContact CG2-CD2 3.52Å; T154-L208 PolarHBondContact OG1-O 3.4Å; L156-L208 HydrophobicContact CD2-CD2 3.88Å; L156-L208 HydrophobicContact CG-CD2 4.29Å; L204-L208 HydrophobicContact CD1-CD1 4.46Å; L204-L208 HydrophobicContact CD1-CG 4.23Å; L204-L208 HydrophobicContact CG-CD1 4.13Å; L204-L208 HydrophobicContact CG-CG 4.3Å; L204-L208 WeakPolarHBondContact O-CB 3.47Å; L204-L208 WeakPolarHBondContact O-CG 3.32Å; L204-L208 PolarHBondContact O-N 2.9Å; M205-L208 HydrophobicContact CE-CD1 3.93Å; M205-L208 PolarHBondContact O-N 2.94Å; L208-V217 HydrophobicContact CD2-CB 4.3Å; L208-V217 HydrophobicContact CD2-CG2 4.41Å
209	W	92.9	Very high	92.2	Very high	36 Å²	36	49.5 Å²	49.5	14%	0.136	27%	0.268	C	S	.	.	S	Bend	trans	-97.4	10.1	-176.7	-69.8	81.7	0	0	0	114	R151 G152 S173 T179 L183 M205 L651	R151-W209 HydrophobicContact CB-CE3 3.97Å; R151-W209 HydrophobicContact CB-CZ3 4.48Å; R151-W209 WeakPolarHBondContact O-CZ3 3.42Å; G152-W209 VanDerWaalsContact CA-CD2 3.45Å; S173-W209 WeakPolarHBondContact O-CZ2 3.3Å; S173-W209 PolarHBondContact O-NE1 3.37Å; S173-W209 PolarHBondContact OG-NE1 2.82Å; T179-W209 HydrophobicContact CG2-CD2 4.16Å; T179-W209 HydrophobicContact CG2-CG 4.11Å; T179-W209 HydrophobicContact CG2-CZ2 4.5Å; L183-W209 HydrophobicContact CD1-CB 3.96Å; L183-W209 HydrophobicContact CD1-CG 4.27Å; M205-W209 WeakPolarHBondContact O-CB 3.46Å; M205-W209 PolarHBondContact O-N 3.04Å; W209-L651 HydrophobicContact CZ3-CD1 4.19Å
210	H	90.8	Very high	92	Very high	96 Å²	96	47.8 Å²	47.8	44%	0.444	27%	0.265	S	S	.	.			trans	-59.6	140.1	-178.3	-163.5	-115.6	0	0	0	112.9	T206 S212 R213	T206-H210 WeakPolarHBondContact O-CA 3.45Å; T206-H210 WeakPolarHBondContact O-CB 3.35Å; T206-H210 PolarHBondContact O-N 3.08Å; H210-S212 WeakPolarHBondContact ND1-CB 3.29Å; H210-S212 PolarHBondContact ND1-N 3.02Å; H210-S212 PolarHBondContact ND1-OG 3.31Å; H210-S212 PolarHBondContact O-N 3.09Å; H210-R213 PolarHBondContact O-N 3.11Å
211	K	85.3	Confident	91.7	Very high	116 Å²	116	50.8 Å²	50.8	50%	0.504	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.9	178.2	-65.8	-153.4	-178.3	-159	0	113.2	D146 R213	D146-K211 IonicContact OD2-NZ 3.2Å; K211-R213 VanDerWaalsContact C-N 3.31Å; K211-R213 PolarHBondContact O-N 3.16Å
212	S	84	Confident	91.4	Very high	75 Å²	75	50.9 Å²	50.9	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.8	178.4	80	0	0	0	0	115.3	H210	H210-S212 WeakPolarHBondContact ND1-CB 3.29Å; H210-S212 PolarHBondContact ND1-N 3.02Å; H210-S212 PolarHBondContact ND1-OG 3.31Å; H210-S212 PolarHBondContact O-N 3.09Å
213	R	81.9	Confident	91.2	Very high	102 Å²	102	50 Å²	50	39%	0.385	28%	0.275	S	S	.	.			trans	40.1	74.1	-178.6	-169.9	-179.5	166.7	-176.1	-5	113.8	L153 H210 K211	L153-R213 VanDerWaalsContact CB-CZ 3.42Å; L153-R213 VanDerWaalsContact CB-NH2 3.35Å; L153-R213 PolarHBondContact O-NE 3.2Å; L153-R213 PolarHBondContact O-NH2 2.7Å; H210-R213 PolarHBondContact O-N 3.11Å; K211-R213 VanDerWaalsContact C-N 3.31Å; K211-R213 PolarHBondContact O-N 3.16Å
214	P	84.9	Confident	91	Very high	41 Å²	41	50.9 Å²	50.9	27%	0.266	28%	0.281	S	S	.	.			trans	-59.6	146.5	174.1	27	-33.3	0	0	0	110.6	T154 S216 V217	T154-P214 HydrophobicContact CG2-CG 3.94Å; T154-P214 WeakPolarHBondContact CG2-O 3.41Å; T154-P214 PolarHBondContact OG1-O 3.26Å; P214-S216 PolarHBondContact O-N 3.25Å; P214-V217 HydrophobicContact CB-CG2 4.49Å; P214-V217 HydrophobicContact CG-CG2 3.86Å
215	G	88.7	Confident	90.7	Very high	62 Å²	62	50.9 Å²	50.9	64%	0.639	28%	0.281	S	S	*	.	S	Bend	trans	-64.3	-41.3	-178.1	0	0	0	0	0	113.2	G155	G155-G215 PolarHBondContact N-O 2.93Å
216	S	94.6	Very high	90.5	Very high	50 Å²	50	51 Å²	51	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.5	169.1	59.8	0	0	0	0	112.4	G155 P214	G155-S216 CarbonylContact O-C 3.56Å; G155-S216 WeakPolarHBondContact O-CA 3.31Å; P214-S216 PolarHBondContact O-N 3.25Å
217	V	96.1	Very high	90.3	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.085	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156.2	178.5	173	0	0	0	0	109.5	T154 G155 L156 K157 L204 E207 L208 P214	T154-V217 HydrophobicContact CG2-CB 4.37Å; T154-V217 HydrophobicContact CG2-CG2 3.64Å; G155-V217 PolarHBondContact O-N 2.87Å; L156-V217 WeakPolarHBondContact CA-O 3.46Å; L156-V217 HydrophobicContact CD2-CB 4.39Å; K157-V217 PolarHBondContact N-O 2.99Å; L204-V217 HydrophobicContact CD1-CG1 3.75Å; E207-V217 HydrophobicContact CB-CG1 4.08Å; E207-V217 HydrophobicContact CB-CG2 4.09Å; L208-V217 HydrophobicContact CD2-CB 4.3Å; L208-V217 HydrophobicContact CD2-CG2 4.41Å; P214-V217 HydrophobicContact CB-CG2 4.49Å; P214-V217 HydrophobicContact CG-CG2 3.86Å
218	V	94.8	Very high	90.1	Very high	65 Å²	65	50.2 Å²	50.2	39%	0.394	28%	0.279	S	S	.	.			trans	-115.3	113.8	175.8	-165.5	0	0	0	0	108.7	K157 I159 T220	K157-V218 HydrophobicContact CB-CG2 4.09Å; K157-V218 HydrophobicContact CD-CG2 4.34Å; I159-V218 HydrophobicContact CD1-CG1 3.6Å; I159-V218 HydrophobicContact CG1-CG1 4.19Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.22Å; V218-T220 PolarHBondContact O-N 2.71Å
219	P	91.8	Very high	89.7	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.026	30%	0.3	C	S	.	.			trans	-78.2	40.4	-171.5	32.4	-36.4	0	0	0	113.7	L156 M165 L169 L204 N221 L222 F223	L156-P219 HydrophobicContact CD2-CB 4.46Å; L156-P219 HydrophobicContact CD2-CG 4.32Å; M165-P219 HydrophobicContact CE-CG 3.88Å; L169-P219 HydrophobicContact CD1-CB 4.24Å; L169-P219 HydrophobicContact CD1-CG 4.4Å; L204-P219 HydrophobicContact CD1-CB 4.05Å; L204-P219 HydrophobicContact CD2-CB 3.98Å; P219-N221 PolarHBondContact O-N 2.82Å; P219-L222 PolarHBondContact O-N 2.82Å; P219-F223 WeakPolarHBondContact O-CB 3.5Å; P219-F223 PolarHBondContact O-N 3.08Å
220	T	88.9	Confident	89.5	Confident	53 Å²	53	53.9 Å²	53.9	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-52.8	-50.6	-167.5	-55	0	0	0	0	113.7	V218 F223 Q224	V218-T220 WeakPolarHBondContact CG1-OG1 3.22Å; V218-T220 PolarHBondContact O-N 2.71Å; T220-F223 PolarHBondContact O-N 2.99Å; T220-Q224 HydrophobicContact CG2-CG 4.49Å; T220-Q224 WeakPolarHBondContact O-CB 3.09Å; T220-Q224 VanDerWaalsContact O-CG 3.27Å; T220-Q224 WeakPolarHBondContact O-CG 3.38Å; T220-Q224 PolarHBondContact O-N 3.01Å
221	N	89.1	Confident	89.3	Confident	86 Å²	86	53.2 Å²	53.2	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-42.7	-176.1	-68.1	10.6	0	0	0	111.7	P219 G225	P219-N221 PolarHBondContact O-N 2.82Å; N221-G225 PolarHBondContact O-N 2.94Å
222	L	91.7	Very high	89.3	Confident	2 Å²	2	51 Å²	51	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-47.2	178.9	-177.7	61.5	0	0	0	110.6	L169 I197 Y201 L204 P219 Q224 G225 I226 L248	L169-L222 HydrophobicContact CD1-CD2 4.23Å; L169-L222 HydrophobicContact CD2-CD2 3.71Å; I197-L222 HydrophobicContact CG2-CD1 3.82Å; Y201-L222 HydrophobicContact CD2-CD2 3.98Å; L204-L222 HydrophobicContact CD2-CD2 3.76Å; P219-L222 PolarHBondContact O-N 2.82Å; L222-Q224 PolarHBondContact O-N 3.29Å; L222-G225 PolarHBondContact O-N 2.96Å; L222-I226 HydrophobicContact CD1-CD1 4.07Å; L222-I226 HydrophobicContact CD1-CG1 4.43Å; L222-I226 HydrophobicContact CG-CD1 3.97Å; L222-I226 WeakPolarHBondContact O-CG1 3.31Å; L222-I226 PolarHBondContact O-N 3.31Å; L222-L248 HydrophobicContact CD1-CD1 4.24Å
223	F	90.2	Very high	89.4	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-42.8	178.5	-172.2	-138.9	0	0	0	112.3	I159 T162 M165 P219 T220 I226 K227	I159-F223 HydrophobicContact CD1-CD1 4.21Å; T162-F223 HydrophobicContact CG2-CE1 3.9Å; T162-F223 HydrophobicContact CG2-CE2 4.34Å; T162-F223 HydrophobicContact CG2-CZ 3.68Å; M165-F223 HydrophobicContact CE-CB 3.96Å; M165-F223 HydrophobicContact CE-CD1 4.23Å; M165-F223 HydrophobicContact CE-CD2 3.53Å; M165-F223 HydrophobicContact CE-CE2 3.95Å; M165-F223 HydrophobicContact CE-CG 3.68Å; M165-F223 HydrophobicContact CE-CZ 4.44Å; M165-F223 HydrophobicContact SD-CB 4.02Å; M165-F223 HydrophobicContact SD-CD2 3.53Å; M165-F223 VanDerWaalsContact SD-CD2 3.53Å; M165-F223 HydrophobicContact SD-CE2 4.22Å; M165-F223 HydrophobicContact SD-CG 4.02Å; P219-F223 WeakPolarHBondContact O-CB 3.5Å; P219-F223 PolarHBondContact O-N 3.08Å; T220-F223 PolarHBondContact O-N 2.99Å; F223-I226 PolarHBondContact O-N 3.01Å; F223-K227 HydrophobicContact CD2-CG 4.38Å; F223-K227 HydrophobicContact CE1-CD 4.29Å; F223-K227 HydrophobicContact CE2-CD 4.32Å; F223-K227 HydrophobicContact CE2-CG 4.33Å; F223-K227 HydrophobicContact CZ-CD 4.2Å; F223-K227 WeakPolarHBondContact O-CB 3.32Å; F223-K227 VanDerWaalsContact O-CG 3.3Å; F223-K227 WeakPolarHBondContact O-CG 3.32Å; F223-K227 PolarHBondContact O-N 3.2Å
224	Q	90	Very high	89.5	Confident	115 Å²	115	49.1 Å²	49.1	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-38.4	174.2	-73.4	177.2	1.2	0	0	112.5	T220 L222 T228	T220-Q224 HydrophobicContact CG2-CG 4.49Å; T220-Q224 WeakPolarHBondContact O-CB 3.09Å; T220-Q224 VanDerWaalsContact O-CG 3.27Å; T220-Q224 WeakPolarHBondContact O-CG 3.38Å; T220-Q224 PolarHBondContact O-N 3.01Å; L222-Q224 PolarHBondContact O-N 3.29Å; Q224-T228 WeakPolarHBondContact O-CB 3.44Å; Q224-T228 PolarHBondContact O-N 2.75Å; Q224-T228 PolarHBondContact O-OG1 3.08Å
225	G	90.5	Very high	89.1	Confident	4 Å²	4	48.9 Å²	48.9	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-52.3	173.6	0	0	0	0	0	112.1	N221 L222 K227 T228 V229	N221-G225 PolarHBondContact O-N 2.94Å; L222-G225 PolarHBondContact O-N 2.96Å; G225-K227 PolarHBondContact O-N 2.82Å; G225-T228 WeakPolarHBondContact O-CA 3.35Å; G225-T228 WeakPolarHBondContact O-CB 3.12Å; G225-T228 PolarHBondContact O-N 2.67Å; G225-V229 PolarHBondContact O-N 3Å; G225-V229 VanDerWaalsContact O-N 3.13Å
226	I	91.5	Very high	88.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-44.9	179.6	-63.6	167.1	0	0	0	110.8	I197 L222 F223 T228 V229 N230 F233 F244 L248 L251	I197-I226 HydrophobicContact CD1-CG1 4.36Å; L222-I226 HydrophobicContact CD1-CD1 4.07Å; L222-I226 HydrophobicContact CD1-CG1 4.43Å; L222-I226 HydrophobicContact CG-CD1 3.97Å; L222-I226 WeakPolarHBondContact O-CG1 3.31Å; L222-I226 PolarHBondContact O-N 3.31Å; F223-I226 PolarHBondContact O-N 3.01Å; I226-T228 PolarHBondContact O-N 3.47Å; I226-V229 PolarHBondContact O-N 3.23Å; I226-N230 PolarHBondContact O-N 3.31Å; I226-F233 HydrophobicContact CG2-CB 4.36Å; I226-F233 HydrophobicContact CG2-CD2 3.82Å; I226-F233 HydrophobicContact CG2-CG 4.27Å; I226-F244 HydrophobicContact CD1-CE2 3.61Å; I226-F244 HydrophobicContact CD1-CZ 3.63Å; I226-F244 HydrophobicContact CG2-CE2 4.24Å; I226-L248 HydrophobicContact CD1-CD1 4.12Å; I226-L251 HydrophobicContact CG1-CD1 4.35Å
227	K	89.8	Confident	88.4	Confident	33 Å²	33	54.6 Å²	54.6	14%	0.143	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-32.8	172.7	-77.5	-169.4	158.7	-167	0	113.2	F223 G225 F233 R234 G235	F223-K227 HydrophobicContact CD2-CG 4.38Å; F223-K227 HydrophobicContact CE1-CD 4.29Å; F223-K227 HydrophobicContact CE2-CD 4.32Å; F223-K227 HydrophobicContact CE2-CG 4.33Å; F223-K227 HydrophobicContact CZ-CD 4.2Å; F223-K227 WeakPolarHBondContact O-CB 3.32Å; F223-K227 VanDerWaalsContact O-CG 3.3Å; F223-K227 WeakPolarHBondContact O-CG 3.32Å; F223-K227 PolarHBondContact O-N 3.2Å; G225-K227 PolarHBondContact O-N 2.82Å; K227-F233 WeakPolarHBondContact CE-O 3.27Å; K227-R234 HydrophobicContact CB-CG 4.33Å; K227-R234 WeakPolarHBondContact CE-O 3.26Å; K227-R234 PolarHBondContact NZ-O 2.82Å; K227-R234 WeakPolarHBondContact O-CG 3.47Å; K227-R234 PolarHBondContact O-NE 3.14Å; K227-G235 WeakPolarHBondContact CE-O 3.43Å; K227-G235 PolarHBondContact NZ-O 2.95Å
228	T	89.3	Confident	88	Confident	82 Å²	82	57.2 Å²	57.2	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-69.5	-47.6	177.5	-57.8	0	0	0	0	110.5	P195 Q224 G225 I226 R234	P195-T228 HydrophobicContact CG-CG2 4.39Å; Q224-T228 WeakPolarHBondContact O-CB 3.44Å; Q224-T228 PolarHBondContact O-N 2.75Å; Q224-T228 PolarHBondContact O-OG1 3.08Å; G225-T228 WeakPolarHBondContact O-CA 3.35Å; G225-T228 WeakPolarHBondContact O-CB 3.12Å; G225-T228 PolarHBondContact O-N 2.67Å; I226-T228 PolarHBondContact O-N 3.47Å; T228-R234 PolarHBondContact O-NH2 2.84Å
229	V	87.6	Confident	87.9	Confident	72 Å²	72	56.3 Å²	56.3	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-77.5	-48.1	-175.3	-171.2	0	0	0	0	112.8	P195 G225 I226 L251	P195-V229 HydrophobicContact CG-CG2 3.5Å; G225-V229 PolarHBondContact O-N 3Å; G225-V229 VanDerWaalsContact O-N 3.13Å; I226-V229 PolarHBondContact O-N 3.23Å; V229-L251 HydrophobicContact CB-CD2 4.23Å; V229-L251 HydrophobicContact CG1-CD2 3.7Å; V229-L251 HydrophobicContact CG2-CD2 4.49Å
230	N	87.1	Confident	88	Confident	41 Å²	41	57.5 Å²	57.5	22%	0.219	30%	0.304	C	S	.	.			trans	-105.9	115.5	-175.6	-174.8	-26.4	0	0	0	111.3	I226 T232 F233 C247	I226-N230 PolarHBondContact O-N 3.31Å; N230-T232 VanDerWaalsContact C-N 3.32Å; N230-T232 PolarHBondContact O-N 3.34Å; N230-T232 WeakPolarHBondContact OD1-CB 3.46Å; N230-T232 PolarHBondContact OD1-N 3.05Å; N230-T232 PolarHBondContact OD1-OG1 3.42Å; N230-F233 HydrophobicContact CB-CD2 3.98Å; N230-F233 HydrophobicContact CB-CE2 4.44Å; N230-F233 WeakPolarHBondContact ND2-CE2 3.34Å; N230-C247 PolarHBondContact ND2-SG 3.36Å
231	P	87.1	Confident	88.4	Confident	81 Å²	81	55 Å²	55	53%	0.526	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59	-33.1	179.7	-26.3	35.9	0	0	0	115.6	F233 R234	P231-F233 PolarHBondContact O-N 3.38Å; P231-R234 VanDerWaalsContact O-CB 3.31Å; P231-R234 WeakPolarHBondContact O-CB 3.45Å; P231-R234 WeakPolarHBondContact O-CG 3.28Å; P231-R234 PolarHBondContact O-N 2.94Å
232	T	85.6	Confident	88.7	Confident	70 Å²	70	51.9 Å²	51.9	43%	0.429	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.8	-38.4	-175.5	-58	0	0	0	0	111.9	N230 R234 Q239	N230-T232 VanDerWaalsContact C-N 3.32Å; N230-T232 PolarHBondContact O-N 3.34Å; N230-T232 WeakPolarHBondContact OD1-CB 3.46Å; N230-T232 PolarHBondContact OD1-N 3.05Å; N230-T232 PolarHBondContact OD1-OG1 3.42Å; T232-R234 PolarHBondContact O-N 3.38Å; T232-Q239 PolarHBondContact O-NE2 2.91Å
233	F	86.8	Confident	88.8	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.013	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-82.8	-7.5	-177.5	-59.9	-66.4	0	0	0	114.1	Y164 I226 K227 N230 P231 G235 Q239 F244 C247	Y164-F233 AromaticContact CE2-CD1 3.77Å; Y164-F233 HydrophobicContact CE2-CD1 3.77Å; Y164-F233 AromaticContact CE2-CE1 3.79Å; Y164-F233 HydrophobicContact CE2-CE1 3.79Å; Y164-F233 AromaticContact CZ-CD1 3.98Å; Y164-F233 WeakPolarHBondContact OH-CD1 3.44Å; I226-F233 HydrophobicContact CG2-CB 4.36Å; I226-F233 HydrophobicContact CG2-CD2 3.82Å; I226-F233 HydrophobicContact CG2-CG 4.27Å; K227-F233 WeakPolarHBondContact CE-O 3.27Å; N230-F233 HydrophobicContact CB-CD2 3.98Å; N230-F233 HydrophobicContact CB-CE2 4.44Å; N230-F233 WeakPolarHBondContact ND2-CE2 3.34Å; P231-F233 PolarHBondContact O-N 3.38Å; F233-G235 VanDerWaalsContact C-N 3.3Å; F233-G235 PolarHBondContact O-N 3.41Å; F233-Q239 HydrophobicContact CD1-CB 4.25Å; F233-Q239 HydrophobicContact CD1-CG 4.01Å; F233-Q239 HydrophobicContact CE1-CB 4Å; F233-Q239 HydrophobicContact CE1-CG 4.2Å; F233-F244 HydrophobicContact CD1-CD2 4.2Å; F233-F244 HydrophobicContact CE1-CB 3.97Å; F233-F244 AromaticContact CE1-CD2 3.96Å; F233-F244 HydrophobicContact CE1-CD2 3.96Å; F233-F244 HydrophobicContact CE1-CG 4.48Å; F233-F244 HydrophobicContact CE2-CD2 4.49Å; F233-F244 HydrophobicContact CZ-CB 4Å; F233-F244 HydrophobicContact CZ-CD2 4.13Å; F233-C247 HydrophobicContact CE2-CB 3.82Å; F233-C247 HydrophobicContact CZ-CB 4.35Å
234	R	83.2	Confident	89.1	Confident	134 Å²	134	55.9 Å²	55.9	51%	0.506	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-60	-31.7	-171.2	-75.4	179.1	-177.3	166	3.1	115.2	K227 T228 P231 T232	K227-R234 HydrophobicContact CB-CG 4.33Å; K227-R234 WeakPolarHBondContact CE-O 3.26Å; K227-R234 PolarHBondContact NZ-O 2.82Å; K227-R234 WeakPolarHBondContact O-CG 3.47Å; K227-R234 PolarHBondContact O-NE 3.14Å; T228-R234 PolarHBondContact O-NH2 2.84Å; P231-R234 VanDerWaalsContact O-CB 3.31Å; P231-R234 WeakPolarHBondContact O-CB 3.45Å; P231-R234 WeakPolarHBondContact O-CG 3.28Å; P231-R234 PolarHBondContact O-N 2.94Å; T232-R234 PolarHBondContact O-N 3.38Å
235	G	76.8	Confident	89.4	Confident	36 Å²	36	50.5 Å²	50.5	37%	0.371	27%	0.265	S	S	.	.	S	Bend	trans	-74.3	-159	-174.4	0	0	0	0	0	115.3	K227 F233	K227-G235 WeakPolarHBondContact CE-O 3.43Å; K227-G235 PolarHBondContact NZ-O 2.95Å; F233-G235 VanDerWaalsContact C-N 3.3Å; F233-G235 PolarHBondContact O-N 3.41Å
236	Y	81.1	Confident	89.7	Confident	174 Å²	174	55 Å²	55	68%	0.682	28%	0.281	S	S	*	.	S	Bend	trans	-118.4	19.9	167.1	-64.9	-84.7	0	0	0	111.1	N161	N161-Y236 PolarHBondContact ND2-O 3.13Å
237	S	86.7	Confident	89.9	Confident	58 Å²	58	55.7 Å²	55.7	41%	0.406	29%	0.286	S	S	.	.			trans	-65.7	150.6	171.9	41.2	0	0	0	0	111	Q239	S237-Q239 PolarHBondContact OG-NE2 2.95Å
238	Q	88.9	Confident	90.2	Very high	70 Å²	70	54.2 Å²	54.2	33%	0.327	28%	0.279	S	S	.	.			trans	-64	145.7	156.7	-68.3	169.2	-29.4	0	0	108	N161 S640 G641	N161-Q238 HydrophobicContact CB-CG 3.89Å; Q238-S640 PolarHBondContact NE2-OG 2.84Å; Q238-S640 VanDerWaalsContact OE1-CA 3.3Å; Q238-S640 PolarHBondContact OE1-OG 3.44Å; Q238-G641 PolarHBondContact NE2-O 3.05Å
239	Q	93.2	Very high	90.5	Very high	46 Å²	46	50.4 Å²	50.4	22%	0.215	26%	0.256	C	S	.	.			trans	-139.4	169.4	179.2	-60.7	-64.7	9.8	0	0	109.3	Y164 T232 F233 S237	Y164-Q239 VanDerWaalsContact CB-O 3.24Å; Y164-Q239 WeakPolarHBondContact CB-O 3.36Å; Y164-Q239 HydrophobicContact CD1-CB 4.08Å; Y164-Q239 HydrophobicContact CD2-CB 4.08Å; Y164-Q239 HydrophobicContact CE1-CB 3.86Å; Y164-Q239 HydrophobicContact CE1-CG 4.18Å; Y164-Q239 HydrophobicContact CE2-CB 3.89Å; Y164-Q239 HydrophobicContact CG-CB 4.2Å; T232-Q239 PolarHBondContact O-NE2 2.91Å; F233-Q239 HydrophobicContact CD1-CB 4.25Å; F233-Q239 HydrophobicContact CD1-CG 4.01Å; F233-Q239 HydrophobicContact CE1-CB 4Å; F233-Q239 HydrophobicContact CE1-CG 4.2Å; S237-Q239 PolarHBondContact OG-NE2 2.95Å
240	D	93.9	Very high	90.8	Very high	29 Å²	29	50.6 Å²	50.6	16%	0.155	25%	0.254	C	S	.	.			trans	-80.1	140.9	179.7	-165.6	-81.1	0	0	0	112.7	Q242 E243 F244 Y643 Y677	D240-Q242 WeakPolarHBondContact OD1-CA 3.41Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.28Å; D240-Q242 PolarHBondContact OD1-N 3.34Å; D240-E243 HydrophobicContact CB-CB 4.16Å; D240-E243 HydrophobicContact CB-CG 4Å; D240-E243 PolarHBondContact OD1-N 2.56Å; D240-F244 PolarHBondContact O-N 3.32Å; D240-Y643 PolarHBondContact OD2-OH 3.45Å; D240-Y677 PolarHBondContact OD1-OH 2.95Å; D240-Y677 PolarHBondContact OD2-OH 2.9Å; D240-Y677 VanDerWaalsContact OD2-OH 3.13Å
241	A	96	Very high	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-74.7	-32.1	-179.3	0	0	0	0	0	113	L245 I632 Y643 Y677	A241-L245 WeakPolarHBondContact O-CB 3.49Å; A241-L245 VanDerWaalsContact O-CG 3.28Å; A241-L245 WeakPolarHBondContact O-CG 3.49Å; A241-L245 PolarHBondContact O-N 2.66Å; A241-I632 HydrophobicContact CB-CG2 4.28Å; A241-Y643 HydrophobicContact CB-CD1 3.88Å; A241-Y643 HydrophobicContact CB-CE1 3.65Å; A241-Y643 HydrophobicContact CB-CE2 4.39Å; A241-Y643 HydrophobicContact CB-CG 4.33Å; A241-Y677 HydrophobicContact CB-CE1 4.42Å
242	Q	95.6	Very high	91.6	Very high	20 Å²	20	46.1 Å²	46.1	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-73.9	-40	177	-171.1	-94.1	14.7	0	0	111.2	D240 F244 L245 R246 D473 S475 H584 Y677 V678	D240-Q242 WeakPolarHBondContact OD1-CA 3.41Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.28Å; D240-Q242 PolarHBondContact OD1-N 3.34Å; Q242-F244 VanDerWaalsContact C-N 3.32Å; Q242-F244 PolarHBondContact O-N 3.06Å; Q242-L245 PolarHBondContact O-N 3.38Å; Q242-R246 WeakPolarHBondContact O-CG 3.24Å; Q242-R246 PolarHBondContact O-N 2.87Å; Q242-D473 PolarHBondContact NE2-OD1 3.4Å; Q242-D473 PolarHBondContact NE2-OD2 2.91Å; Q242-S475 PolarHBondContact NE2-OG 3.01Å; Q242-H584 HydrophobicContact CG-CB 3.95Å; Q242-Y677 HydrophobicContact CB-CE1 4.26Å; Q242-V678 HydrophobicContact CB-CG2 4.19Å
243	E	94.7	Very high	92	Very high	103 Å²	103	44.2 Å²	44.2	48%	0.481	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-41.2	172.3	-69.4	-169.3	165.6	0	0	111.7	D240 C247	D240-E243 HydrophobicContact CB-CB 4.16Å; D240-E243 HydrophobicContact CB-CG 4Å; D240-E243 PolarHBondContact OD1-N 2.56Å; E243-C247 WeakPolarHBondContact O-CB 3.43Å; E243-C247 PolarHBondContact O-N 3.15Å
244	F	96.2	Very high	92.2	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-43.8	175.1	178.9	-91.6	0	0	0	112.5	Y164 M165 A168 L169 I226 F233 D240 Q242 R246 C247 L248	Y164-F244 HydrophobicContact CD2-CB 3.79Å; Y164-F244 HydrophobicContact CD2-CD2 4.31Å; Y164-F244 HydrophobicContact CD2-CG 4.06Å; Y164-F244 HydrophobicContact CE2-CB 3.98Å; Y164-F244 AromaticContact CE2-CD2 3.75Å; Y164-F244 HydrophobicContact CE2-CD2 3.75Å; Y164-F244 AromaticContact CE2-CG 3.97Å; Y164-F244 HydrophobicContact CE2-CG 3.97Å; M165-F244 HydrophobicContact CB-CD1 4.32Å; M165-F244 HydrophobicContact CB-CD2 4.32Å; M165-F244 HydrophobicContact CB-CE1 4.02Å; M165-F244 HydrophobicContact CB-CE2 4Å; M165-F244 HydrophobicContact CB-CG 4.47Å; M165-F244 HydrophobicContact CB-CZ 3.86Å; M165-F244 HydrophobicContact CG-CE1 3.79Å; M165-F244 HydrophobicContact CG-CE2 3.92Å; M165-F244 HydrophobicContact CG-CZ 3.41Å; M165-F244 VanDerWaalsContact CG-CZ 3.41Å; M165-F244 HydrophobicContact SD-CE2 4.06Å; M165-F244 HydrophobicContact SD-CZ 3.85Å; A168-F244 HydrophobicContact CB-CD1 3.63Å; A168-F244 HydrophobicContact CB-CE1 4.08Å; L169-F244 HydrophobicContact CD2-CE1 4.42Å; L169-F244 HydrophobicContact CG-CE1 4.23Å; I226-F244 HydrophobicContact CD1-CE2 3.61Å; I226-F244 HydrophobicContact CD1-CZ 3.63Å; I226-F244 HydrophobicContact CG2-CE2 4.24Å; F233-F244 HydrophobicContact CD1-CD2 4.2Å; F233-F244 HydrophobicContact CE1-CB 3.97Å; F233-F244 AromaticContact CE1-CD2 3.96Å; F233-F244 HydrophobicContact CE1-CD2 3.96Å; F233-F244 HydrophobicContact CE1-CG 4.48Å; F233-F244 HydrophobicContact CE2-CD2 4.49Å; F233-F244 HydrophobicContact CZ-CB 4Å; F233-F244 HydrophobicContact CZ-CD2 4.13Å; D240-F244 PolarHBondContact O-N 3.32Å; Q242-F244 VanDerWaalsContact C-N 3.32Å; Q242-F244 PolarHBondContact O-N 3.06Å; F244-R246 PolarHBondContact O-N 3.26Å; F244-C247 PolarHBondContact O-N 3.08Å; F244-L248 HydrophobicContact CE1-CB 4.48Å; F244-L248 HydrophobicContact CE1-CD2 4Å; F244-L248 HydrophobicContact CZ-CD2 4.28Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 PolarHBondContact O-N 2.89Å
245	L	96.7	Very high	92.6	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-55.9	-51.1	175.2	-81.4	170.1	0	0	0	111.3	A168 L172 A241 Q242 L248 M249 I632 V678 F680	A168-L245 HydrophobicContact CB-CD2 3.71Å; A168-L245 HydrophobicContact CB-CG 3.74Å; L172-L245 HydrophobicContact CD1-CD2 3.62Å; L172-L245 HydrophobicContact CD2-CD2 4.13Å; L172-L245 HydrophobicContact CG-CD2 3.67Å; A241-L245 WeakPolarHBondContact O-CB 3.49Å; A241-L245 VanDerWaalsContact O-CG 3.28Å; A241-L245 WeakPolarHBondContact O-CG 3.49Å; A241-L245 PolarHBondContact O-N 2.66Å; Q242-L245 PolarHBondContact O-N 3.38Å; L245-L248 PolarHBondContact O-N 2.94Å; L245-M249 WeakPolarHBondContact O-CG 2.78Å; L245-M249 PolarHBondContact O-N 3.03Å; L245-I632 HydrophobicContact CD1-CD1 3.87Å; L245-V678 HydrophobicContact CD1-CG1 4.12Å; L245-F680 HydrophobicContact CD1-CE2 4.01Å; L245-F680 HydrophobicContact CD1-CZ 3.74Å; L245-F680 HydrophobicContact CD2-CZ 3.89Å; L245-F680 HydrophobicContact CG-CZ 4.47Å
246	R	95.1	Very high	93.4	Very high	100 Å²	100	42.3 Å²	42.3	38%	0.377	20%	0.2	S	C	.	.	H	α-helix	trans	-60	-49.6	178.2	-71.1	-178.1	60.9	103.4	7.1	111.3	Q242 F244 L248 M249 D250 D473	Q242-R246 WeakPolarHBondContact O-CG 3.24Å; Q242-R246 PolarHBondContact O-N 2.87Å; F244-R246 PolarHBondContact O-N 3.26Å; R246-L248 VanDerWaalsContact C-N 3.28Å; R246-L248 PolarHBondContact O-N 2.74Å; R246-M249 PolarHBondContact O-N 2.86Å; R246-D250 WeakPolarHBondContact O-CB 3.43Å; R246-D250 PolarHBondContact O-N 3.41Å; R246-D473 WeakPolarHBondContact CD-OD1 3.4Å; R246-D473 IonicContact CZ-OD1 3.34Å; R246-D473 IonicContact NE-OD1 3.77Å; R246-D473 IonicContact NH1-OD1 2.76Å; R246-D473 PolarHBondContact NH1-OD1 2.95Å
247	C	95.9	Very high	93.8	Very high	15 Å²	15	37 Å²	37	10%	0.101	18%	0.18	C	C	.	.	H	α-helix	trans	-56	-40.8	176.8	-176.9	0	0	0	0	112.8	N230 F233 E243 F244 L251	N230-C247 PolarHBondContact ND2-SG 3.36Å; F233-C247 HydrophobicContact CE2-CB 3.82Å; F233-C247 HydrophobicContact CZ-CB 4.35Å; E243-C247 WeakPolarHBondContact O-CB 3.43Å; E243-C247 PolarHBondContact O-N 3.15Å; F244-C247 PolarHBondContact O-N 3.08Å; C247-L251 WeakPolarHBondContact O-CB 3.1Å; C247-L251 WeakPolarHBondContact O-CD1 3.45Å; C247-L251 WeakPolarHBondContact O-CG 3.12Å; C247-L251 PolarHBondContact O-N 3.2Å; C247-L251 VanDerWaalsContact O-N 3.13Å
248	L	96.4	Very high	93.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-71.7	-41.7	178.7	179.3	55.9	0	0	0	111.9	L169 L172 I197 Y201 L222 I226 F244 L245 R246 L251 L252	L169-L248 HydrophobicContact CD2-CD2 3.59Å; L172-L248 HydrophobicContact CD1-CD2 3.87Å; I197-L248 HydrophobicContact CG2-CD1 3.92Å; Y201-L248 HydrophobicContact CD2-CD1 4.47Å; Y201-L248 HydrophobicContact CD2-CD2 4.24Å; Y201-L248 HydrophobicContact CE2-CD2 4.12Å; L222-L248 HydrophobicContact CD1-CD1 4.24Å; I226-L248 HydrophobicContact CD1-CD1 4.12Å; F244-L248 HydrophobicContact CE1-CB 4.48Å; F244-L248 HydrophobicContact CE1-CD2 4Å; F244-L248 HydrophobicContact CZ-CD2 4.28Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 PolarHBondContact O-N 2.89Å; L245-L248 PolarHBondContact O-N 2.94Å; R246-L248 VanDerWaalsContact C-N 3.28Å; R246-L248 PolarHBondContact O-N 2.74Å; L248-L251 PolarHBondContact O-N 3.31Å; L248-L252 HydrophobicContact CD1-CD1 4.02Å; L248-L252 HydrophobicContact CD1-CG 4.07Å; L248-L252 HydrophobicContact CG-CD1 4.11Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 VanDerWaalsContact O-CG 3.29Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 2.95Å
249	M	95.9	Very high	93.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-43.2	176.6	-70.4	-172.3	-54.4	0	0	112	L245 R246 L252 H253 I444 F448 Q472	L245-M249 WeakPolarHBondContact O-CG 2.78Å; L245-M249 PolarHBondContact O-N 3.03Å; R246-M249 PolarHBondContact O-N 2.86Å; M249-L252 PolarHBondContact O-N 2.99Å; M249-H253 WeakPolarHBondContact O-CB 3.44Å; M249-H253 PolarHBondContact O-N 2.75Å; M249-I444 HydrophobicContact CB-CG2 3.92Å; M249-I444 HydrophobicContact CG-CG2 4.37Å; M249-F448 HydrophobicContact SD-CD1 4.31Å; M249-F448 HydrophobicContact SD-CD2 4.01Å; M249-F448 HydrophobicContact SD-CE2 4.23Å; M249-F448 HydrophobicContact SD-CG 4.05Å; M249-F448 HydrophobicContact SD-CZ 4.48Å; M249-Q472 HydrophobicContact CE-CB 4.18Å
250	D	94.7	Very high	92.4	Very high	75 Å²	75	41 Å²	41	40%	0.401	20%	0.196	S	C	.	.	H	α-helix	trans	-60.3	-45.7	174.8	-73.8	-36.6	0	0	0	111.5	R246 H253 E254	R246-D250 WeakPolarHBondContact O-CB 3.43Å; R246-D250 PolarHBondContact O-N 3.41Å; D250-H253 PolarHBondContact O-N 2.88Å; D250-E254 WeakPolarHBondContact O-CB 3.45Å; D250-E254 PolarHBondContact O-N 2.85Å
251	L	94.7	Very high	90.7	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-40.5	177.7	-72	170.8	0	0	0	112.6	I197 I226 V229 C247 L248 E255	I197-L251 HydrophobicContact CG1-CB 4.39Å; I197-L251 HydrophobicContact CG1-CD1 4.43Å; I197-L251 HydrophobicContact CG2-CB 4.24Å; I226-L251 HydrophobicContact CG1-CD1 4.35Å; V229-L251 HydrophobicContact CB-CD2 4.23Å; V229-L251 HydrophobicContact CG1-CD2 3.7Å; V229-L251 HydrophobicContact CG2-CD2 4.49Å; C247-L251 WeakPolarHBondContact O-CB 3.1Å; C247-L251 WeakPolarHBondContact O-CD1 3.45Å; C247-L251 WeakPolarHBondContact O-CG 3.12Å; C247-L251 PolarHBondContact O-N 3.2Å; C247-L251 VanDerWaalsContact O-N 3.13Å; L248-L251 PolarHBondContact O-N 3.31Å; L251-E255 PolarHBondContact O-N 3.01Å; L251-E255 VanDerWaalsContact O-N 3.13Å
252	L	95.1	Very high	88.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-36.8	175.3	-70.1	175.4	0	0	0	111.7	F182 I197 C198 Y201 L248 M249 E255 L256 I444	F182-L252 HydrophobicContact CZ-CD2 4.24Å; I197-L252 HydrophobicContact CG2-CD2 4.05Å; I197-L252 HydrophobicContact CG2-CG 4.48Å; C198-L252 HydrophobicContact CB-CD2 3.89Å; Y201-L252 HydrophobicContact CD1-CD1 4.49Å; Y201-L252 HydrophobicContact CD2-CD1 4.24Å; Y201-L252 HydrophobicContact CG-CD1 4.23Å; Y201-L252 HydrophobicContact CG-CD2 4.49Å; L248-L252 HydrophobicContact CD1-CD1 4.02Å; L248-L252 HydrophobicContact CD1-CG 4.07Å; L248-L252 HydrophobicContact CG-CD1 4.11Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 VanDerWaalsContact O-CG 3.29Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 2.95Å; M249-L252 PolarHBondContact O-N 2.99Å; L252-E255 PolarHBondContact O-N 2.81Å; L252-L256 WeakPolarHBondContact O-CB 3.44Å; L252-L256 VanDerWaalsContact O-CG 3.32Å; L252-L256 WeakPolarHBondContact O-CG 3.21Å; L252-L256 PolarHBondContact O-N 2.9Å; L252-I444 HydrophobicContact CB-CD1 3.8Å; L252-I444 HydrophobicContact CB-CG1 3.74Å; L252-I444 HydrophobicContact CD1-CD1 4.14Å
253	H	94.1	Very high	86.1	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-48.5	173	-176	113.3	0	0	0	110.7	M249 D250 E255 L256 K257 S442 I444	M249-H253 WeakPolarHBondContact O-CB 3.44Å; M249-H253 PolarHBondContact O-N 2.75Å; D250-H253 PolarHBondContact O-N 2.88Å; H253-E255 VanDerWaalsContact C-N 3.26Å; H253-E255 PolarHBondContact O-N 2.87Å; H253-L256 PolarHBondContact O-N 2.86Å; H253-K257 VanDerWaalsContact O-CB 3.27Å; H253-K257 WeakPolarHBondContact O-CB 3.4Å; H253-K257 WeakPolarHBondContact O-CG 3.32Å; H253-K257 PolarHBondContact O-N 3.25Å; H253-S442 PolarHBondContact ND1-OG 3.4Å; H253-I444 HydrophobicContact CB-CB 4.18Å; H253-I444 HydrophobicContact CB-CG1 4.4Å; H253-I444 HydrophobicContact CB-CG2 4.41Å
254	E	91.8	Very high	83.2	Confident	86 Å²	86	59.7 Å²	59.7	40%	0.402	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-24.2	-179.5	-79	-57.1	118.2	0	0	114.1	K193 D250 K257	K193-E254 PolarHBondContact NZ-O 3.41Å; D250-E254 WeakPolarHBondContact O-CB 3.45Å; D250-E254 PolarHBondContact O-N 2.85Å; E254-K257 WeakPolarHBondContact OE1-CE 3.29Å; E254-K257 IonicContact OE1-NZ 3.07Å; E254-K257 PolarHBondContact OE1-NZ 2.98Å; E254-K257 WeakPolarHBondContact OE2-CE 3.42Å; E254-K257 IonicContact OE2-NZ 2.71Å; E254-K257 PolarHBondContact OE2-NZ 3.47Å
255	E	92	Very high	80	Confident	25 Å²	25	68 Å²	68	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-89.5	-26.8	173.3	-74.6	-173.2	-175.3	0	0	114.2	K193 P195 I197 C198 L251 L252 H253	K193-E255 HydrophobicContact CD-CG 4.33Å; P195-E255 VanDerWaalsContact O-OE1 3.11Å; I197-E255 WeakPolarHBondContact CB-OE1 3.5Å; I197-E255 WeakPolarHBondContact CG1-OE1 3.35Å; I197-E255 VanDerWaalsContact N-CD 3.31Å; I197-E255 PolarHBondContact N-OE1 3.22Å; I197-E255 PolarHBondContact N-OE2 3.13Å; C198-E255 HydrophobicContact CB-CB 4.39Å; C198-E255 WeakPolarHBondContact CB-OE2 3.45Å; C198-E255 PolarHBondContact N-OE2 3.19Å; C198-E255 PolarHBondContact SG-OE2 2.92Å; C198-E255 VanDerWaalsContact SG-OE2 3.34Å; L251-E255 PolarHBondContact O-N 3.01Å; L251-E255 VanDerWaalsContact O-N 3.13Å; L252-E255 PolarHBondContact O-N 2.81Å; H253-E255 VanDerWaalsContact C-N 3.26Å; H253-E255 PolarHBondContact O-N 2.87Å
256	L	91.8	Very high	76.7	Confident	21 Å²	21	72.6 Å²	72.6	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-112.9	12.4	-172.2	-59	175.3	0	0	0	114.3	F181 F182 C198 L252 H253 S442 V443	F181-L256 HydrophobicContact CE1-CD1 4.35Å; F182-L256 HydrophobicContact CE1-CD1 4.34Å; F182-L256 HydrophobicContact CZ-CD1 3.86Å; C198-L256 HydrophobicContact CB-CD1 4.08Å; C198-L256 HydrophobicContact CB-CD2 3.81Å; C198-L256 HydrophobicContact CB-CG 3.98Å; L252-L256 WeakPolarHBondContact O-CB 3.44Å; L252-L256 VanDerWaalsContact O-CG 3.32Å; L252-L256 WeakPolarHBondContact O-CG 3.21Å; L252-L256 PolarHBondContact O-N 2.9Å; H253-L256 PolarHBondContact O-N 2.86Å; L256-S442 WeakPolarHBondContact O-CA 3.36Å; L256-S442 VanDerWaalsContact O-CB 3.26Å; L256-S442 WeakPolarHBondContact O-CB 3.45Å; L256-V443 HydrophobicContact CD1-CG1 3.74Å
257	K	90.2	Very high	73.6	Confident	64 Å²	64	73.3 Å²	73.3	28%	0.278	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-82.3	124.9	178.4	64	-179.9	-179.2	-175.4	0	113.3	H253 E254 Y440 R441	H253-K257 VanDerWaalsContact O-CB 3.27Å; H253-K257 WeakPolarHBondContact O-CB 3.4Å; H253-K257 WeakPolarHBondContact O-CG 3.32Å; H253-K257 PolarHBondContact O-N 3.25Å; E254-K257 WeakPolarHBondContact OE1-CE 3.29Å; E254-K257 IonicContact OE1-NZ 3.07Å; E254-K257 PolarHBondContact OE1-NZ 2.98Å; E254-K257 WeakPolarHBondContact OE2-CE 3.42Å; E254-K257 IonicContact OE2-NZ 2.71Å; E254-K257 PolarHBondContact OE2-NZ 3.47Å; K257-Y440 HydrophobicContact CB-CD1 4.24Å; K257-Y440 HydrophobicContact CD-CD1 3.85Å; K257-Y440 HydrophobicContact CD-CG 4.03Å; K257-Y440 HydrophobicContact CG-CD1 4Å; K257-R441 CarbonylContact C-O 3.57Å; K257-R441 WeakPolarHBondContact CA-O 3.3Å
258	E	84.8	Confident	70.4	Confident	95 Å²	95	79.5 Å²	79.5	44%	0.444	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	159	166.6	-62.2	-161	141.1	0	0	110.6	Y440 R441 K744	E258-Y440 WeakPolarHBondContact O-CA 3.34Å; E258-R441 PolarHBondContact N-O 2.89Å; E258-R441 PolarHBondContact O-N 3.1Å; E258-K744 IonicContact OE1-NZ 2.66Å; E258-K744 PolarHBondContact OE1-NZ 2.99Å
259	Q	79.7	Confident	67.2	Low	105 Å²	105	85.3 Å²	85.3	49%	0.491	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.1	173.7	-71.5	170.8	41.8	0	0	109.4	M261 K438 Y440	Q259-M261 PolarHBondContact O-N 3.11Å; Q259-K438 HydrophobicContact CG-CD 4.48Å; Q259-Y440 HydrophobicContact CG-CD1 4.02Å; Q259-Y440 HydrophobicContact CG-CE1 3.39Å
260	V	75.8	Confident	63.9	Low	56 Å²	56	92.4 Å²	92.4	34%	0.339	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-78.5	121.4	173.5	-177.8	0	0	0	0	108.5	E262 K439 R441	V260-E262 HydrophobicContact CG1-CG 4.43Å; V260-E262 PolarHBondContact O-N 2.81Å; V260-K439 HydrophobicContact CB-CB 4.26Å; V260-K439 HydrophobicContact CB-CG 4.48Å; V260-K439 PolarHBondContact N-O 2.87Å; V260-R441 HydrophobicContact CG2-CB 3.57Å
261	M	58.1	Low	60.8	Low	141 Å²	141	94.6 Å²	94.6	70%	0.695	49%	0.49	S	S	*	.			trans	-80.1	109.2	165.1	-65.4	-175.5	65.7	0	0	108	Q259 I736	Q259-M261 PolarHBondContact O-N 3.11Å; M261-I736 HydrophobicContact CE-CG2 3.6Å; M261-I736 HydrophobicContact SD-CG2 4.33Å
262	E	50.6	Low	57.6	Low	123 Å²	123	99.1 Å²	99.1	58%	0.575	52%	0.518	S	S	*	.			trans	-77.2	123.7	167.3	-64.9	-172.4	142.3	0	0	108.1	V260 K439	V260-E262 HydrophobicContact CG1-CG 4.43Å; V260-E262 PolarHBondContact O-N 2.81Å; E262-K439 HydrophobicContact CG-CD 4.4Å; E262-K439 WeakPolarHBondContact OE1-CD 3.39Å; E262-K439 WeakPolarHBondContact OE1-CE 3.26Å; E262-K439 IonicContact OE1-NZ 3.1Å; E262-K439 PolarHBondContact OE1-NZ 3.16Å
263	V	44.8	Very low	54.4	Low	129 Å²	129	108.3 Å²	108.3	78%	0.782	56%	0.561	S	S	*	*			trans	-78.5	121.8	163.7	179.5	0	0	0	0	105.6	E265	V263-E265 PolarHBondContact O-N 2.63Å
264	E	32.8	Very low	51.3	Low	153 Å²	153	115.5 Å²	115.5	72%	0.715	60%	0.595	S	S	*	*			trans	-73.8	92.2	179.2	-66.9	-176.9	173.1	0	0	109.2	D266 Q436	E264-D266 PolarHBondContact O-N 2.64Å; E264-Q436 PolarHBondContact OE1-NE2 3.45Å
265	E	30	Very low	48.1	Very low	175 Å²	175	118.1 Å²	118.1	82%	0.818	62%	0.617	S	S	*	*			trans	-67.7	117.8	166.8	-68	-176.6	162.6	0	0	108.9	V263 P267	V263-E265 PolarHBondContact O-N 2.63Å; E265-P267 WeakPolarHBondContact O-CD 3.47Å
266	D	27.1	Very low	44.9	Very low	99 Å²	99	124.9 Å²	124.9	53%	0.529	65%	0.651	S	S	.	*			trans	-66.2	120.2	-174.7	-168.2	-16.3	0	0	0	110.6	E264 Q268	E264-D266 PolarHBondContact O-N 2.64Å; D266-Q268 PolarHBondContact O-N 3.43Å; D266-Q268 PolarHBondContact OD1-NE2 3.5Å; D266-Q268 PolarHBondContact OD2-NE2 2.88Å
267	P	28.9	Very low	41.9	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-64.2	6.2	-171.2	-26	35.9	0	0	0	117.6	E265	E265-P267 WeakPolarHBondContact O-CD 3.47Å
268	Q	29.7	Very low	38.8	Very low	145 Å²	145	138.2 Å²	138.2	68%	0.678	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-88.7	-2.5	-169.1	-67.9	177.3	63.4	0	0	115.1	D266	D266-Q268 PolarHBondContact O-N 3.43Å; D266-Q268 PolarHBondContact OD1-NE2 3.5Å; D266-Q268 PolarHBondContact OD2-NE2 2.88Å
269	T	27.7	Very low	36	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-98.1	3	-170.4	47.6	0	0	0	0	115.9
270	I	28.3	Very low	33.4	Very low	152 Å²	152	144.2 Å²	144.2	78%	0.779	74%	0.743	S	S	*	*	S	Bend	trans	-104.2	-1.4	-172.2	-64.8	178	0	0	0	113.5
271	T	28.4	Very low	31.1	Very low	121 Å²	121	145.4 Å²	145.4	74%	0.742	75%	0.754	S	S	*	*	S	Bend	trans	-128.2	48.7	-171.4	60.8	0	0	0	0	115
272	T	28	Very low	29.5	Very low	122 Å²	122	147.7 Å²	147.7	75%	0.748	76%	0.763	S	S	*	*	S	Bend	trans	-149.5	15.1	-179.7	-9.2	0	0	0	0	117.8
273	E	28.8	Very low	28.3	Very low	194 Å²	194	146.7 Å²	146.7	91%	0.907	77%	0.769	S	S	*	*			trans	-129.1	50	-179.7	-68.2	-160.1	164.4	0	0	115.5
274	E	27.4	Very low	27.4	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	77%	0.769	S	S	*	*	S	Bend	trans	-135.7	142.3	154.4	-73.6	-161.2	151	0	0	112
275	T	24.7	Very low	27.2	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	77%	0.772	S	S	*	*			trans	62.5	77.4	166.9	55.2	0	0	0	0	121.1
276	M	25	Very low	27	Very low	167 Å²	167	145 Å²	145	82%	0.823	77%	0.771	S	S	*	*			trans	-132.2	132.7	143.3	-85.1	-173.5	73.3	0	0	106.9
277	E	28.7	Very low	26.9	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.752	79%	0.788	S	S	*	*			cis	-144.8	158.2	-2.4	-78.7	166.1	174	0	0	108.2
278	E	26.4	Very low	26.7	Very low	203 Å²	203	152 Å²	152	95%	0.949	79%	0.788	S	S	*	*			trans	-147.2	121.6	143.6	-129.4	-171.7	-154.2	0	0	110
279	D	25.2	Very low	26.4	Very low	137 Å²	137	149.8 Å²	149.8	73%	0.733	79%	0.788	S	S	*	*			trans	-106.3	135.9	-165.3	-175.4	17.2	0	0	0	112.7
280	K	26	Very low	26.3	Very low	189 Å²	189	149.1 Å²	149.1	82%	0.822	79%	0.787	S	S	*	*			trans	-170.3	92.9	163.4	-105.2	143.6	-164	156.4	0	115.1
281	S	25.8	Very low	26	Very low	82 Å²	82	150.3 Å²	150.3	57%	0.573	79%	0.79	S	S	*	*				55.3	127.4	124.4	67.2	0	0	0	0	122.4
282	Q	24.9	Very low	25.8	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	79%	0.786	S	S	*	*			trans	74.1	140.9	150.9	-65.8	169.8	0.3	0	0	117.3
283	S	25.4	Very low	25.5	Very low	101 Å²	101	148.8 Å²	148.8	71%	0.706	79%	0.788	S	S	*	*			cis	-159.2	158.4	-4.5	50.4	0	0	0	0	112
284	D	26.4	Very low	25.3	Very low	146 Å²	146	144.3 Å²	144.3	78%	0.781	78%	0.778	S	S	*	*			trans	2.7	129	157.1	-41.6	-35.1	0	0	0	119.8
285	V	27.9	Very low	25.2	Very low	129 Å²	129	142.9 Å²	142.9	78%	0.782	78%	0.776	S	S	*	*				-170.5	147.4	97	-87.1	0	0	0	0	112.5
286	D	27.1	Very low	25.4	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	77%	0.766	S	S	*	*			trans	23.6	140.2	146.2	-52.6	-25.8	0	0	0	120.7
287	F	23.9	Very low	25.5	Very low	201 Å²	201	139.3 Å²	139.3	88%	0.882	76%	0.762	S	S	*	*			cis	-159.2	174.4	33.7	-166.5	-108.4	0	0	0	112.1
288	Q	24.8	Very low	25.8	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.752	76%	0.764	S	S	*	*			trans	-124	167.7	-170.4	-148.6	176.5	28.5	0	0	113.2
289	S	23.9	Very low	25.9	Very low	97 Å²	97	134.3 Å²	134.3	68%	0.678	75%	0.749	S	S	*	*			trans	69.8	125.2	169.9	-55.5	0	0	0	0	115.7
290	C	24.3	Very low	26.1	Very low	110 Å²	110	135 Å²	135	74%	0.743	75%	0.748	S	S	*	*			cis	76.1	113.7	46.4	91.5	0	0	0	0	115
291	E	23.4	Very low	26.2	Very low	177 Å²	177	132.8 Å²	132.8	83%	0.827	75%	0.745	S	S	*	*				175.5	130.4	127.1	-97.2	-170.9	167.4	0	0	114.2
292	S	24.6	Very low	26.5	Very low	95 Å²	95	136.2 Å²	136.2	66%	0.664	75%	0.752	S	S	*	*				44.8	121.1	122.7	-48.8	0	0	0	0	123.8
293	C	22	Very low	26.6	Very low	116 Å²	116	133.9 Å²	133.9	78%	0.784	75%	0.745	S	S	*	*				83	107.6	124.9	-69.5	0	0	0	0	123.8
294	S	23.4	Very low	26.6	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	74%	0.741	S	S	*	*				109.7	145.7	109.3	-67.5	0	0	0	0	122.8
295	N	24.8	Very low	26.6	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	74%	0.742	S	S	*	*			trans	74.5	147.9	159.1	-65.1	-5.3	0	0	0	119.9
296	S	30.1	Very low	26.5	Very low	92 Å²	92	136.5 Å²	136.5	64%	0.643	75%	0.751	S	S	*	*			cis	-168.9	158.7	-21.8	55.6	0	0	0	0	111.3
297	D	26	Very low	26.3	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	75%	0.747	S	S	*	*			trans	156.9	114.4	142.2	-79.9	-7.4	0	0	0	109
298	K	35	Very low	26.3	Very low	182 Å²	182	133.2 Å²	133.2	79%	0.791	75%	0.749	S	S	*	*				67.5	132.2	80.4	-81.6	-156.1	169.6	-139.6	0	114.7	E300	K298-E300 IonicContact NZ-OE1 3.75Å
299	A	28.5	Very low	26.3	Very low	76 Å²	76	130.3 Å²	130.3	63%	0.628	75%	0.746	S	S	*	*			cis	-149.7	158.7	9.5	0	0	0	0	0	114.3
300	E	30	Very low	26.4	Very low	152 Å²	152	134.5 Å²	134.5	71%	0.71	76%	0.755	S	S	*	*			trans	33	142.4	134.5	-61.4	145.5	-132.9	0	0	120.2	K298	K298-E300 IonicContact NZ-OE1 3.75Å
301	N	28.1	Very low	26.4	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	76%	0.758	S	S	*	*			cis	-154	170.8	30.8	-157.9	12.3	0	0	0	115.4
302	E	31.6	Very low	26.6	Very low	155 Å²	155	135.4 Å²	135.4	72%	0.724	76%	0.758	S	S	*	*			trans	-38.9	162.4	174.1	-71.2	-175.7	-162.4	0	0	119.1
303	N	27.7	Very low	26.6	Very low	139 Å²	139	137.6 Å²	137.6	74%	0.743	76%	0.763	S	S	*	*			cis	-160.1	176.5	-2.7	-120.7	-46.5	0	0	0	108.3
304	G	25.3	Very low	26.7	Very low	59 Å²	59	141.1 Å²	141.1	61%	0.608	77%	0.767	S	S	*	*			cis	162.2	167.6	-1.7	0	0	0	0	0	114.7
305	S	25.8	Very low	26.8	Very low	117 Å²	117	141.8 Å²	141.8	82%	0.818	77%	0.768	S	S	*	*			trans	73.2	126.6	163.8	-69.8	0	0	0	0	123.3
306	R	25.5	Very low	26.9	Very low	256 Å²	256	140.6 Å²	140.6	97%	0.966	77%	0.766	S	S	*	*			trans	69	129.9	160.6	-65.3	-179.7	175.8	171.7	-1	118.4
307	G	23.1	Very low	26.6	Very low	67 Å²	67	143 Å²	143	69%	0.691	77%	0.769	S	S	*	*			trans	-141.9	-172.5	169.4	0	0	0	0	0	111
308	F	23.8	Very low	26.5	Very low	212 Å²	212	143.7 Å²	143.7	93%	0.93	77%	0.772	S	S	*	*			trans	-152	171.3	169.9	-117.5	-82.7	0	0	0	112.1
309	S	24.8	Very low	26.1	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	77%	0.774	S	S	*	*			trans	-24	151.5	179.2	48.5	0	0	0	0	121
310	E	26.2	Very low	25.8	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	78%	0.783	S	S	*	*			trans	-54.6	152.3	163	-54.2	156.4	123.3	0	0	112.7
311	D	24.6	Very low	25.5	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	79%	0.789	S	S	*	*			trans	-141.9	136.4	164.6	-125.2	-26.9	0	0	0	110.6
312	N	26.9	Very low	25.3	Very low	155 Å²	155	149.1 Å²	149.1	83%	0.829	80%	0.796	S	S	*	*			trans	-94.9	125.2	-179.1	-79.4	-76.4	0	0	0	110.3
313	N	25.2	Very low	24.9	Very low	141 Å²	141	150 Å²	150	75%	0.754	80%	0.8	S	S	*	*			trans	-123.5	97	173.3	-83.8	-57.8	0	0	0	111.5
314	E	24.6	Very low	24.7	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	80%	0.799	S	S	*	*			trans	-68.7	126.3	159.5	-67.6	-179.8	128.2	0	0	108.7
315	T	25.1	Very low	24.6	Very low	115 Å²	115	154.3 Å²	154.3	71%	0.706	81%	0.81	S	S	*	*			trans	-104.7	84.7	-177.6	-42.2	0	0	0	0	111	M317	T315-M317 PolarHBondContact O-N 3.12Å
316	T	27.8	Very low	24.4	Very low	126 Å²	126	153 Å²	153	77%	0.773	80%	0.801	S	S	*	*			trans	-66.5	122	165.9	-55.4	0	0	0	0	109.1	L318	T316-L318 PolarHBondContact O-N 3.43Å
317	M	23.6	Very low	24.3	Very low	143 Å²	143	149.7 Å²	149.7	70%	0.704	80%	0.796	S	S	*	*			trans	-83.2	111.6	174.1	-63	-150.4	-51.1	0	0	110.6	T315	T315-M317 PolarHBondContact O-N 3.12Å
318	L	24.3	Very low	24.2	Very low	156 Å²	156	155.9 Å²	155.9	82%	0.817	81%	0.809	S	S	*	*			trans	-127	139.2	152.9	-76.5	177.4	0	0	0	108.4	T316	T316-L318 PolarHBondContact O-N 3.43Å
319	I	24.7	Very low	24.1	Very low	163 Å²	163	150.5 Å²	150.5	84%	0.836	80%	0.798	S	S	*	*			trans	-82.8	136.1	172.5	-61.7	167	0	0	0	107.1
320	Q	22.5	Very low	24	Very low	177 Å²	177	154.2 Å²	154.2	83%	0.827	80%	0.801	S	S	*	*			trans	-135.5	151.9	161.2	-82.9	-164.6	-42.6	0	0	109.6
321	D	24.6	Very low	23.9	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	80%	0.795	S	S	*	*			trans	-83	134.9	-171.8	-43.8	-92.6	0	0	0	111.5
322	D	23.8	Very low	23.8	Very low	171 Å²	171	154 Å²	154	91%	0.914	79%	0.792	S	S	*	*			trans	-98.2	104.9	174.5	-90	-41.5	0	0	0	111
323	E	23.4	Very low	23.6	Very low	173 Å²	173	156 Å²	156	81%	0.808	80%	0.796	S	S	*	*			trans	-101.9	118.4	154.2	-77.2	-162.3	148.5	0	0	109.9
324	N	23.4	Very low	23.6	Very low	134 Å²	134	157.5 Å²	157.5	72%	0.717	80%	0.796	S	S	*	*				164.8	120.9	114.6	-94.4	-78.2	0	0	0	113.5
325	N	23.1	Very low	23.6	Very low	155 Å²	155	156.6 Å²	156.6	83%	0.829	79%	0.791	S	S	*	*				170	142.3	128.5	-89.9	-25.4	0	0	0	109.8
326	S	22	Very low	23.7	Very low	90 Å²	90	160.7 Å²	160.7	63%	0.629	80%	0.8	S	S	*	*			cis	-166.5	151.3	-12	47.6	0	0	0	0	109.7
327	E	22	Very low	23.4	Very low	186 Å²	186	162.7 Å²	162.7	87%	0.869	80%	0.804	S	S	*	*			trans	51.2	98.2	159.5	-62	-170.3	115.4	0	0	119.5
328	M	22.5	Very low	23.4	Very low	196 Å²	196	160.5 Å²	160.5	97%	0.966	80%	0.801	S	S	*	*				-138.8	140.9	112.1	-163.1	155.4	61.3	0	0	109.1
329	S	22	Very low	23.3	Very low	99 Å²	99	161.2 Å²	161.2	69%	0.692	81%	0.806	S	S	*	*			trans	-116.9	150.9	-158.6	-164	0	0	0	0	113.9
330	K	22.7	Very low	23.2	Very low	177 Å²	177	161.8 Å²	161.8	77%	0.77	80%	0.803	S	S	*	*			trans	93.1	128.1	163.7	-57.6	179.8	-178.3	174.8	0	118.6
331	D	22.4	Very low	23.3	Very low	136 Å²	136	159.8 Å²	159.8	73%	0.727	80%	0.796	S	S	*	*			trans	61.6	122.3	151.9	-51.2	-27.6	0	0	0	119.1
332	W	23.2	Very low	23.3	Very low	198 Å²	198	159.2 Å²	159.2	75%	0.75	79%	0.793	S	S	*	*				-172	93.3	100.3	-105.1	90.1	0	0	0	112.3	K334 E335	W332-K334 HydrophobicContact CE3-CB 3.83Å; W332-K334 VanDerWaalsContact CE3-O 3.23Å; W332-K334 HydrophobicContact CZ3-CB 3.61Å; W332-K334 WeakPolarHBondContact CZ3-O 3.44Å; W332-E335 HydrophobicContact CZ3-CG 4.45Å
333	Q	23.3	Very low	23.3	Very low	196 Å²	196	159.5 Å²	159.5	92%	0.916	79%	0.786	S	S	*	*			trans	-92.1	91	155.7	-92.8	-163.1	-11.2	0	0	109.5
334	K	24.6	Very low	23.3	Very low	172 Å²	172	157 Å²	157	75%	0.748	78%	0.782	S	S	*	*			trans	178	129.2	157.4	-100.5	148.9	-173.9	174.2	0	109.7	W332	W332-K334 HydrophobicContact CE3-CB 3.83Å; W332-K334 VanDerWaalsContact CE3-O 3.23Å; W332-K334 HydrophobicContact CZ3-CB 3.61Å; W332-K334 WeakPolarHBondContact CZ3-O 3.44Å
335	E	24	Very low	23.2	Very low	170 Å²	170	156.6 Å²	156.6	79%	0.794	78%	0.78	S	S	*	*			trans	160.1	93.1	137.9	-91.2	-169.8	-176.4	0	0	110.9	W332	W332-E335 HydrophobicContact CZ3-CG 4.45Å
336	K	27.1	Very low	23.3	Very low	202 Å²	202	155.2 Å²	155.2	88%	0.878	78%	0.783	S	S	*	*			trans	-140.5	142	146.5	-75.3	-167.2	176.1	177.2	0	106.5
337	I	22.2	Very low	23.4	Very low	168 Å²	168	159.5 Å²	159.5	86%	0.862	79%	0.793	S	S	*	*			trans	72.8	126.4	-162.4	-51	160.9	0	0	0	110.1
338	C	23.8	Very low	23.6	Very low	96 Å²	96	154 Å²	154	65%	0.649	79%	0.786	S	S	*	*			cis	-139.1	154.5	12.6	-164.8	0	0	0	0	112.3
339	N	21.6	Very low	23.7	Very low	171 Å²	171	153 Å²	153	91%	0.914	78%	0.779	S	S	*	*			trans	-145.7	125.5	139.5	-123.9	-26.6	0	0	0	110.8
340	K	23.3	Very low	24	Very low	176 Å²	176	154.7 Å²	154.7	77%	0.765	78%	0.779	S	S	*	*			trans	-161.8	120.1	-177.9	-141.6	-172.9	-176.6	178.8	0	104.8
341	I	25.1	Very low	24.2	Very low	135 Å²	135	151.8 Å²	151.8	69%	0.692	77%	0.773	S	S	*	*				177.9	162.8	87.9	-95.1	168.4	0	0	0	108.9
342	N	24.2	Very low	24.6	Very low	142 Å²	142	152.1 Å²	152.1	76%	0.759	77%	0.767	S	S	*	*			trans	83.6	139.8	169.3	-71.3	-30	0	0	0	118.6
343	K	23.8	Very low	24.7	Very low	178 Å²	178	148 Å²	148	77%	0.774	76%	0.76	S	S	*	*			cis	-166.8	163.9	-22.9	-158.7	173.7	176.3	-179.1	0	110.1
344	V	22.2	Very low	25	Very low	120 Å²	120	147.7 Å²	147.7	73%	0.727	75%	0.751	S	S	*	*			trans	120.3	110	151.2	-178.5	0	0	0	0	115.6
345	N	23.2	Very low	24.9	Very low	126 Å²	126	144.7 Å²	144.7	67%	0.674	74%	0.743	S	S	*	*			trans	21.6	129.8	148.9	-54.1	28.6	0	0	0	121.5
346	S	24.8	Very low	25	Very low	126 Å²	126	141 Å²	141	88%	0.881	74%	0.735	S	S	*	*				-143.6	160.5	106.7	-145.3	0	0	0	0	110.4
347	E	23.1	Very low	24.8	Very low	179 Å²	179	138.9 Å²	138.9	84%	0.836	73%	0.732	S	S	*	*			trans	-111.9	174.1	-172.1	-68.5	164	123.6	0	0	111.7
348	G	26.3	Very low	24.9	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	72%	0.724	S	S	*	*			trans	125.3	74.3	-174.4	0	0	0	0	0	111.5
349	E	25.3	Very low	24.9	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	73%	0.733	S	S	*	*			cis	91.6	144.8	46.8	-156.9	-171.3	-142.6	0	0	112.7
350	L	28.3	Very low	25.1	Very low	133 Å²	133	137.1 Å²	137.1	70%	0.696	73%	0.725	S	S	*	*			trans	76.8	121.4	178.3	-54.4	-179.7	0	0	0	115.6
351	D	27.4	Very low	25.2	Very low	117 Å²	117	134.6 Å²	134.6	63%	0.626	72%	0.724	S	S	*	*				81.2	139.6	56.6	-87.4	6.8	0	0	0	112.5
352	K	30.3	Very low	25.2	Very low	142 Å²	142	134.9 Å²	134.9	62%	0.617	73%	0.727	S	S	*	*			cis	-167.5	175.4	-6.6	-130	179.7	-167.6	74.6	0	109.7
353	D	25.8	Very low	25.3	Very low	113 Å²	113	135 Å²	135	60%	0.604	73%	0.726	S	S	*	*			trans	64.9	150.8	141.5	-73.8	7.9	0	0	0	121.5
354	R	28	Very low	25.3	Very low	188 Å²	188	132.5 Å²	132.5	71%	0.709	72%	0.722	S	S	*	*			cis	-168.2	164.3	-22.6	-117.2	168	85.5	-175.7	3.2	110
355	D	23.6	Very low	25.5	Very low	110 Å²	110	132.3 Å²	132.3	59%	0.588	72%	0.716	S	S	*	*			trans	41.5	157.4	142.9	-73.5	-31.7	0	0	0	122.5
356	S	24.8	Very low	25.6	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	72%	0.718	S	S	*	*			cis	175.1	-164.7	-23.9	-92.3	0	0	0	0	105.4
357	I	23.2	Very low	25.5	Very low	159 Å²	159	135 Å²	135	82%	0.815	71%	0.711	S	S	*	*			trans	78.7	99.1	-177.2	-49.5	169.9	0	0	0	111.7
358	S	24.3	Very low	25.5	Very low	99 Å²	99	132 Å²	132	69%	0.692	71%	0.705	S	S	*	*			cis	78.5	142.3	16.6	93.6	0	0	0	0	117.7
359	E	24.3	Very low	25.2	Very low	179 Å²	179	134.9 Å²	134.9	84%	0.836	71%	0.708	S	S	*	*			trans	101.9	135.5	-176	-65.3	-169.3	-173.5	0	0	114.3
360	T	25.2	Very low	24.9	Very low	120 Å²	120	136.2 Å²	136.2	74%	0.736	71%	0.712	S	S	*	*			cis	-152.9	-179.7	-24.6	40.9	0	0	0	0	106.4
361	V	25.5	Very low	24.6	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	71%	0.714	S	S	*	*			cis	-144	166.4	13.5	-166.9	0	0	0	0	109.2
362	D	25.2	Very low	24.2	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	73%	0.727	S	S	*	*			trans	-72.6	-178.9	177.4	-42.7	-85	0	0	0	114.1
363	L	25.8	Very low	23.7	Very low	144 Å²	144	138.9 Å²	138.9	75%	0.754	73%	0.73	S	S	*	*			cis	-153.3	147.7	37.5	-79.9	169.3	0	0	0	115.3
364	N	25.2	Very low	23.4	Very low	127 Å²	127	141.6 Å²	141.6	68%	0.679	74%	0.739	S	S	*	*			trans	60.3	142.3	143.8	-63.3	-2.9	0	0	0	121.5
365	N	26.3	Very low	23	Very low	115 Å²	115	137.3 Å²	137.3	62%	0.615	74%	0.738	S	S	*	*			cis	-162.7	134.7	-21.4	-115.1	11.6	0	0	0	108
366	Q	24.4	Very low	23	Very low	150 Å²	150	143.9 Å²	143.9	70%	0.701	75%	0.754	S	S	*	*				63.8	135.2	91.3	-74	-170.7	-29	0	0	115
367	E	23.4	Very low	22.9	Very low	158 Å²	158	144 Å²	144	74%	0.738	76%	0.76	S	S	*	*			cis	-149.1	151.3	-1.3	-91.3	164	150.4	0	0	106.5
368	T	22.1	Very low	22.8	Very low	117 Å²	117	140.8 Å²	140.8	72%	0.718	75%	0.752	S	S	*	*			cis	82.3	99	38.5	62.9	0	0	0	0	118.9
369	V	21.2	Very low	22.7	Very low	131 Å²	131	144.1 Å²	144.1	79%	0.794	76%	0.757	S	S	*	*			trans	62	122.1	131.1	-177.9	0	0	0	0	120.6
370	K	19.5	Very low	22.6	Very low	205 Å²	205	145.2 Å²	145.2	89%	0.891	76%	0.755	S	S	*	*				-164.7	170.5	126.7	-113	165.3	-172	170.5	0	115.3
371	V	20.8	Very low	22.6	Very low	125 Å²	125	145 Å²	145	76%	0.758	75%	0.748	S	S	*	*			trans	-131	138.1	-172.2	172.6	0	0	0	0	109.1
372	Q	19	Very low	22.5	Very low	189 Å²	189	146 Å²	146	88%	0.883	75%	0.754	S	S	*	*			trans	-156.5	179.1	155.5	-131.3	164.2	-33.1	0	0	115.8
373	I	20.8	Very low	22.4	Very low	133 Å²	133	145.6 Å²	145.6	68%	0.682	75%	0.752	S	S	*	*			trans	-121.4	156	-145.5	-72	158.4	0	0	0	111.6
374	H	19.9	Very low	22.3	Very low	171 Å²	171	145.8 Å²	145.8	79%	0.792	76%	0.759	S	S	*	*			trans	80.5	115.7	157.7	-85	-36.6	0	0	0	122.9
375	S	19.7	Very low	22.4	Very low	98 Å²	98	147 Å²	147	69%	0.685	76%	0.761	S	S	*	*				81.2	112.9	114.7	-61.5	0	0	0	0	124.1
376	R	22.1	Very low	22.4	Very low	247 Å²	247	147.1 Å²	147.1	93%	0.932	77%	0.77	S	S	*	*				89.8	138.3	126.8	-145.6	177.9	-165.9	-179	3.1	120.2
377	A	22.2	Very low	22.5	Very low	93 Å²	93	144.7 Å²	144.7	77%	0.769	76%	0.762	S	S	*	*			trans	95.2	117.2	157.4	0	0	0	0	0	120.5
378	S	22	Very low	22.7	Very low	93 Å²	93	143.5 Å²	143.5	65%	0.65	76%	0.761	S	S	*	*			trans	35	138.7	141.3	-82.9	0	0	0	0	125.5
379	E	22.3	Very low	23	Very low	169 Å²	169	145.7 Å²	145.7	79%	0.79	77%	0.767	S	S	*	*			trans	67.3	145.6	134.7	-71.9	153.9	-114.9	0	0	120.4
380	Y	22.3	Very low	23.3	Very low	201 Å²	201	144.3 Å²	144.3	79%	0.788	76%	0.763	S	S	*	*			cis	-166.4	156.4	-23.6	-148.5	-134.1	0	0	0	108.8
381	I	24.9	Very low	23.6	Very low	117 Å²	117	140.4 Å²	140.4	60%	0.6	76%	0.757	S	S	*	*			trans	56.9	127.4	160.7	-73	172.4	0	0	0	120
382	T	22.7	Very low	24.5	Very low	142 Å²	142	139.3 Å²	139.3	87%	0.871	75%	0.752	S	S	*	*				-157.3	128.7	119.3	-8.9	0	0	0	0	112.2
383	D	24.2	Very low	24.9	Very low	133 Å²	133	138.7 Å²	138.7	71%	0.711	75%	0.749	S	S	*	*			trans	-88.3	175	177.3	-64.3	-78.7	0	0	0	113.1
384	V	23	Very low	25.1	Very low	148 Å²	148	139.4 Å²	139.4	90%	0.897	75%	0.753	S	S	*	*			trans	-128.2	124.1	161.7	-178.4	0	0	0	0	110.3
385	H	27.4	Very low	25.2	Very low	153 Å²	153	138.5 Å²	138.5	71%	0.708	75%	0.753	S	S	*	*			trans	-62	167.3	174.7	-77	-9.6	0	0	0	113.3
386	S	26.8	Very low	26.2	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	76%	0.755	S	S	*	*				173.9	159.2	74	-81.7	0	0	0	0	112.5
387	N	26.7	Very low	26.3	Very low	99 Å²	99	133 Å²	133	53%	0.529	75%	0.75	S	S	.	*			cis	-171.3	155.9	-29.6	-126.4	51.9	0	0	0	109.9
388	D	27.6	Very low	26.4	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	75%	0.749	S	S	*	*			trans	63.3	152.8	154	-55.7	-36.7	0	0	0	120.1
389	L	28.6	Very low	26.6	Very low	163 Å²	163	139.3 Å²	139.3	85%	0.853	76%	0.758	S	S	*	*			cis	-143.7	176.2	14.7	-109.2	122	0	0	0	108.7
390	S	26.8	Very low	26.7	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	75%	0.753	S	S	*	*			cis	-151.7	-176.9	7.7	66.5	0	0	0	0	113.6
391	T	25.5	Very low	26.8	Very low	123 Å²	123	132.1 Å²	132.1	76%	0.755	76%	0.759	S	S	*	*			trans	-89.6	-178	175.2	19.6	0	0	0	0	114.9
392	P	39	Very low	26.8	Very low	101 Å²	101	133.6 Å²	133.6	66%	0.656	77%	0.768	S	S	*	*			cis	-138.9	144.4	-14.2	26.7	-3.6	0	0	0	118.9
393	Q	27.7	Very low	27.4	Very low	177 Å²	177	132.3 Å²	132.3	83%	0.827	76%	0.762	S	S	*	*			trans	66.3	175.1	146.7	-58.2	179.4	-3.8	0	0	118.6
394	I	26.2	Very low	27.4	Very low	148 Å²	148	137.3 Å²	137.3	76%	0.759	77%	0.771	S	S	*	*			cis	-147.9	-167.5	6.7	-148.2	162.7	0	0	0	114
395	L	22	Very low	27.5	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	77%	0.772	S	S	*	*			trans	-91.2	-177	-176.1	-81.3	142.2	0	0	0	114.8
396	P	39.4	Very low	27.3	Very low	110 Å²	110	136.4 Å²	136.4	71%	0.714	77%	0.774	S	S	*	*			cis	-136.3	-169.8	-3.6	34	-11.7	0	0	0	116.7
397	S	24.8	Very low	27.2	Very low	118 Å²	118	135.7 Å²	135.7	83%	0.825	78%	0.775	S	S	*	*			trans	92.8	155	148.9	77.7	0	0	0	0	120.9
398	N	25.4	Very low	27.1	Very low	142 Å²	142	136.7 Å²	136.7	76%	0.759	79%	0.79	S	S	*	*				-174.3	166.7	-79.2	-176.5	39.4	0	0	0	109.8
399	E	25.4	Very low	27.7	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	79%	0.792	S	S	*	*			trans	70.3	149.4	174.5	-48.5	-171.1	166.5	0	0	117
400	G	23.9	Very low	27.7	Very low	66 Å²	66	134.2 Å²	134.2	68%	0.68	79%	0.791	S	S	*	*			cis	167.6	151.9	-12.2	0	0	0	0	0	115.7
401	V	24.5	Very low	27.7	Very low	152 Å²	152	139.3 Å²	139.3	92%	0.921	80%	0.8	S	S	*	*			trans	81.2	145	156	-165.4	0	0	0	0	119.6
402	N	25.7	Very low	27.8	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	81%	0.807	S	S	*	*			trans	-87.1	-170.2	-178.7	-99.3	-60.6	0	0	0	111.2
403	P	35	Very low	27	Very low	115 Å²	115	138 Å²	138	75%	0.747	81%	0.809	S	S	*	*			cis	-149.3	-173.7	21.7	45.7	-24	0	0	0	119.5
404	R	24.3	Very low	26.9	Very low	237 Å²	237	137.4 Å²	137.4	89%	0.894	81%	0.811	S	S	*	*			trans	-22.9	150.7	157	-53.3	169.7	177.4	169	-2.8	117.1
405	L	25.3	Very low	26.8	Very low	174 Å²	174	136.7 Å²	136.7	91%	0.911	81%	0.809	S	S	*	*				-160.9	165.4	125	-112.4	171.9	0	0	0	112.9
406	S	23.2	Very low	26.9	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	81%	0.811	S	S	*	*			trans	-119.4	142.5	-169.3	54.9	0	0	0	0	113.2
407	A	24.6	Very low	26.6	Very low	101 Å²	101	140.4 Å²	140.4	84%	0.835	81%	0.813	S	S	*	*			trans	-153.6	153.1	162.6	0	0	0	0	0	111.3
408	S	23.6	Very low	26.5	Very low	120 Å²	120	138.2 Å²	138.2	84%	0.839	81%	0.809	S	S	*	*			trans	-123.3	-174.6	177.2	-46.8	0	0	0	0	110.8
409	P	40.5	Very low	26.6	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	82%	0.818	S	S	*	*				-93.9	179.3	-114.1	41.5	-32.4	0	0	0	114.3
410	P	29.2	Very low	26.7	Very low	130 Å²	130	136.3 Å²	136.3	84%	0.844	82%	0.817	S	S	*	*				-131.9	168.2	129.4	38	-29.5	0	0	0	114.4
411	K	26.2	Very low	27	Very low	209 Å²	209	138.9 Å²	138.9	91%	0.909	82%	0.822	S	S	*	*			trans	-85.5	144.7	-177.8	-55.9	167.6	-177.6	173.7	0	111.8
412	S	27.1	Very low	27.2	Very low	130 Å²	130	137.5 Å²	137.5	91%	0.909	82%	0.816	S	S	*	*			trans	-150.5	160.3	140.8	65.5	0	0	0	0	108.9
413	G	23	Very low	27.4	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	82%	0.819	S	S	*	*			trans	-162.4	166.5	178.5	0	0	0	0	0	110.4
414	N	24.6	Very low	27	Very low	164 Å²	164	143.3 Å²	143.3	88%	0.877	83%	0.825	S	S	*	*			trans	-148.5	152.9	170.4	-104.2	-32.1	0	0	0	112.2
415	L	24.3	Very low	27.2	Very low	134 Å²	134	141.6 Å²	141.6	70%	0.702	82%	0.824	S	S	*	*			trans	-79.8	168.8	177.5	-81.3	55	0	0	0	108.9
416	W	25.9	Very low	27.2	Very low	225 Å²	225	137.7 Å²	137.7	85%	0.852	82%	0.817	S	S	*	*			cis	-171.2	-168.2	12.6	-120.6	6.5	0	0	0	107
417	P	31.5	Very low	27.4	Very low	114 Å²	114	141.7 Å²	141.7	74%	0.74	82%	0.824	S	S	*	*			cis	-123.8	180	-20.4	36.1	-20	0	0	0	112.1
418	G	24.2	Very low	27.4	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	82%	0.821	S	S	*	*			trans	-115.9	153.9	170.8	0	0	0	0	0	113.4
419	L	26.8	Very low	27.5	Very low	182 Å²	182	141 Å²	141	95%	0.953	82%	0.819	S	S	*	*			trans	-138.4	132.2	164.4	-85	173.3	0	0	0	108.9
420	A	28.1	Very low	26.8	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	82%	0.817	S	S	*	*			trans	-133.3	124.8	-177.8	0	0	0	0	0	111.5
421	P	29.6	Very low	26.8	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	81%	0.813	S	S	*	*			trans	-91.1	161.9	162	-6.3	26.4	0	0	0	111.8
422	P	29.8	Very low	26.9	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	81%	0.812	S	S	*	*			trans	-88.9	147.8	-159.1	33.5	-36.7	0	0	0	115.7	K424	P422-K424 PolarHBondContact O-N 2.71Å
423	H	29.5	Very low	27.3	Very low	187 Å²	187	144.7 Å²	144.7	87%	0.866	81%	0.812	S	S	*	*			trans	-66.5	114.7	165.9	-70.6	-75.1	0	0	0	111.9
424	K	26.9	Very low	27.8	Very low	199 Å²	199	150.7 Å²	150.7	87%	0.865	82%	0.819	S	S	*	*			trans	-98.6	111.4	147.7	-76.9	-173.6	175.3	-178	0	108.2	P422 A426	P422-K424 PolarHBondContact O-N 2.71Å; K424-A426 PolarHBondContact O-N 3.38Å
425	K	28.7	Very low	28.5	Very low	200 Å²	200	152.5 Å²	152.5	87%	0.87	82%	0.818	S	S	*	*			trans	-72.3	92.6	169.9	-76.9	-173	175.5	-177.4	0	109.1	Q427	K425-Q427 PolarHBondContact O-N 3.31Å
426	A	24.4	Very low	29.5	Very low	93 Å²	93	153.2 Å²	153.2	77%	0.769	82%	0.818	S	S	*	*			trans	-67.4	115.3	162.2	0	0	0	0	0	108.1	K424 S428	K424-A426 PolarHBondContact O-N 3.38Å; A426-S428 PolarHBondContact O-N 3.44Å; A426-S428 VanDerWaalsContact O-N 3.08Å
427	Q	26.6	Very low	30.8	Very low	191 Å²	191	151.1 Å²	151.1	89%	0.893	82%	0.818	S	S	*	*			trans	-74.2	96	170.5	-74.7	178.4	-28.7	0	0	108.5	K425 A429	K425-Q427 PolarHBondContact O-N 3.31Å; Q427-A429 PolarHBondContact O-N 3.24Å
428	S	25.6	Very low	32.5	Very low	112 Å²	112	150.2 Å²	150.2	78%	0.783	80%	0.802	S	S	*	*			trans	-67.7	97.1	164.6	55.3	0	0	0	0	108.4	A426 S430	A426-S428 PolarHBondContact O-N 3.44Å; A426-S428 VanDerWaalsContact O-N 3.08Å; S428-S430 PolarHBondContact O-N 3.38Å
429	A	26.2	Very low	35.1	Very low	95 Å²	95	152.3 Å²	152.3	79%	0.785	79%	0.791	S	S	*	*			trans	-65.5	99.9	170.9	0	0	0	0	0	108.4	Q427	Q427-A429 PolarHBondContact O-N 3.24Å
430	S	25.4	Very low	38	Very low	102 Å²	102	148.1 Å²	148.1	71%	0.713	76%	0.763	S	S	*	*			trans	-65.2	125.4	171.3	44	0	0	0	0	108.3	S428 K432	S428-S430 PolarHBondContact O-N 3.38Å; S430-K432 PolarHBondContact O-N 3.35Å; S430-K432 VanDerWaalsContact O-N 3.11Å
431	P	27.8	Very low	41	Very low	116 Å²	116	148.8 Å²	148.8	75%	0.753	75%	0.745	S	S	*	*			trans	-64	120.1	178.5	25.2	-32.5	0	0	0	108.3	R433	P431-R433 VanDerWaalsContact C-N 3.29Å; P431-R433 PolarHBondContact O-N 3.34Å
432	K	29.3	Very low	44.1	Very low	205 Å²	205	143.2 Å²	143.2	89%	0.891	71%	0.708	S	S	*	*			trans	-62.6	92.7	171	-72.2	-175.1	179.3	-179	0	108	S430 K434	S430-K432 PolarHBondContact O-N 3.35Å; S430-K432 VanDerWaalsContact O-N 3.11Å; K432-K434 PolarHBondContact O-N 2.8Å
433	R	35.3	Very low	47.1	Very low	239 Å²	239	137.8 Å²	137.8	90%	0.902	67%	0.673	S	S	*	*			trans	-57.8	101.2	168.7	-77	-174.8	169.8	-169.7	-5.5	107.7	P431 K435	P431-R433 VanDerWaalsContact C-N 3.29Å; P431-R433 PolarHBondContact O-N 3.34Å; R433-K435 PolarHBondContact O-N 3.07Å
434	K	33.7	Very low	50.3	Low	193 Å²	193	128.9 Å²	128.9	84%	0.839	63%	0.631	S	S	*	*			trans	-52.7	138.6	162.9	-68.6	-175.2	176.4	-175.1	0	106.8	K432 Q436	K432-K434 PolarHBondContact O-N 2.8Å; K434-Q436 VanDerWaalsContact C-N 3.32Å; K434-Q436 PolarHBondContact O-N 2.71Å
435	K	39.5	Very low	53.6	Low	201 Å²	201	120 Å²	120	87%	0.874	59%	0.594	S	S	*	*			trans	-66.4	95.5	169.9	-82	-174.5	172.7	-178.7	0	107.7	R433 H437	R433-K435 PolarHBondContact O-N 3.07Å; K435-H437 PolarHBondContact O-N 2.76Å
436	Q	45.9	Very low	56.7	Low	149 Å²	149	111.4 Å²	111.4	70%	0.696	56%	0.558	S	S	*	*			trans	-54	126.5	162.5	-84	171.9	-35.4	0	0	107.3	E264 K434 K438	E264-Q436 PolarHBondContact OE1-NE2 3.45Å; K434-Q436 VanDerWaalsContact C-N 3.32Å; K434-Q436 PolarHBondContact O-N 2.71Å; Q436-K438 PolarHBondContact O-N 2.98Å; Q436-K438 VanDerWaalsContact O-N 3.09Å
437	H	52.8	Low	60.1	Low	181 Å²	181	107 Å²	107	84%	0.838	52%	0.522	S	S	*	.			trans	-69.1	108.3	175.7	-89.3	-113.3	0	0	0	108.1	K435 K439	K435-H437 PolarHBondContact O-N 2.76Å; H437-K439 PolarHBondContact O-N 2.98Å
438	K	66.9	Low	63.5	Low	95 Å²	95	97.9 Å²	97.9	41%	0.413	48%	0.479	S	S	.	.			trans	-57.6	112.6	176.2	-70.1	-169.3	171.4	-156	0	109.2	Q259 Q436 Y440 D837	Q259-K438 HydrophobicContact CG-CD 4.48Å; Q436-K438 PolarHBondContact O-N 2.98Å; Q436-K438 VanDerWaalsContact O-N 3.09Å; K438-Y440 HydrophobicContact CB-CE2 3.71Å; K438-Y440 WeakPolarHBondContact O-CD2 3.45Å; K438-Y440 WeakPolarHBondContact O-CE2 3.16Å; K438-D837 IonicContact NZ-OD2 3.34Å; K438-D837 PolarHBondContact NZ-OD2 2.7Å
439	K	79.1	Confident	66.9	Low	118 Å²	118	94 Å²	94	51%	0.513	45%	0.45	S	S	.	.			trans	-81.2	138.1	176	-164.2	178.2	-162.8	174.9	0	108.9	V260 E262 H437	V260-K439 HydrophobicContact CB-CB 4.26Å; V260-K439 HydrophobicContact CB-CG 4.48Å; V260-K439 PolarHBondContact N-O 2.87Å; E262-K439 HydrophobicContact CG-CD 4.4Å; E262-K439 WeakPolarHBondContact OE1-CD 3.39Å; E262-K439 WeakPolarHBondContact OE1-CE 3.26Å; E262-K439 IonicContact OE1-NZ 3.1Å; E262-K439 PolarHBondContact OE1-NZ 3.16Å; H437-K439 PolarHBondContact O-N 2.98Å
440	Y	87.9	Confident	70.2	Confident	94 Å²	94	89.5 Å²	89.5	37%	0.369	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.9	-175.3	-72.5	-86.7	0	0	0	111.1	K257 E258 Q259 K438	K257-Y440 HydrophobicContact CB-CD1 4.24Å; K257-Y440 HydrophobicContact CD-CD1 3.85Å; K257-Y440 HydrophobicContact CD-CG 4.03Å; K257-Y440 HydrophobicContact CG-CD1 4Å; E258-Y440 WeakPolarHBondContact O-CA 3.34Å; Q259-Y440 HydrophobicContact CG-CD1 4.02Å; Q259-Y440 HydrophobicContact CG-CE1 3.39Å; K438-Y440 HydrophobicContact CB-CE2 3.71Å; K438-Y440 WeakPolarHBondContact O-CD2 3.45Å; K438-Y440 WeakPolarHBondContact O-CE2 3.16Å
441	R	90.8	Very high	73.5	Confident	111 Å²	111	86.2 Å²	86.2	42%	0.419	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	133.7	178.7	-179.8	-172	-173.4	173.1	10.1	109.5	K257 E258 V260 D446	K257-R441 CarbonylContact C-O 3.57Å; K257-R441 WeakPolarHBondContact CA-O 3.3Å; E258-R441 PolarHBondContact N-O 2.89Å; E258-R441 PolarHBondContact O-N 3.1Å; V260-R441 HydrophobicContact CG2-CB 3.57Å; R441-D446 IonicContact CZ-OD1 3.38Å; R441-D446 IonicContact CZ-OD2 2.67Å; R441-D446 VanDerWaalsContact NE-CG 3.3Å; R441-D446 IonicContact NE-OD1 2.86Å; R441-D446 PolarHBondContact NE-OD1 2.71Å; R441-D446 IonicContact NE-OD2 2.87Å; R441-D446 PolarHBondContact NE-OD2 3.16Å; R441-D446 VanDerWaalsContact NE-OD2 3.07Å; R441-D446 IonicContact NH2-OD1 3.33Å; R441-D446 PolarHBondContact NH2-OD1 3.22Å; R441-D446 IonicContact NH2-OD2 2.81Å; R441-D446 PolarHBondContact NH2-OD2 2.75Å
442	S	93.5	Very high	76.7	Confident	4 Å²	4	81.4 Å²	81.4	3%	0.028	36%	0.356	C	S	.	.			trans	-128.7	172.1	169.5	68.8	0	0	0	0	110.8	H253 L256 I444 S445 D446	H253-S442 PolarHBondContact ND1-OG 3.4Å; L256-S442 WeakPolarHBondContact O-CA 3.36Å; L256-S442 VanDerWaalsContact O-CB 3.26Å; L256-S442 WeakPolarHBondContact O-CB 3.45Å; S442-I444 PolarHBondContact O-N 3.1Å; S442-I444 PolarHBondContact OG-N 3.42Å; S442-S445 PolarHBondContact N-OG 2.76Å; S442-S445 PolarHBondContact O-N 3.16Å; S442-S445 PolarHBondContact O-OG 3.36Å; S442-S445 PolarHBondContact OG-N 2.85Å; S442-D446 PolarHBondContact O-N 3.12Å
443	V	93.9	Very high	79.8	Confident	8 Å²	8	73.4 Å²	73.4	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-56	-34.8	169.3	62.3	0	0	0	0	112.2	F181 L256 D446 I447	F181-V443 HydrophobicContact CB-CG2 3.91Å; F181-V443 HydrophobicContact CD1-CB 4.08Å; F181-V443 HydrophobicContact CD1-CG1 3.9Å; F181-V443 HydrophobicContact CD1-CG2 3.8Å; F181-V443 HydrophobicContact CD2-CB 4.21Å; F181-V443 HydrophobicContact CD2-CG2 3.86Å; F181-V443 HydrophobicContact CE1-CB 4.05Å; F181-V443 HydrophobicContact CE1-CG1 3.72Å; F181-V443 HydrophobicContact CE1-CG2 4.29Å; F181-V443 HydrophobicContact CE2-CB 4.17Å; F181-V443 HydrophobicContact CE2-CG2 4.33Å; F181-V443 HydrophobicContact CG-CB 4.16Å; F181-V443 HydrophobicContact CG-CG1 4.48Å; F181-V443 HydrophobicContact CG-CG2 3.56Å; F181-V443 HydrophobicContact CZ-CB 4.09Å; F181-V443 HydrophobicContact CZ-CG1 4.14Å; L256-V443 HydrophobicContact CD1-CG1 3.74Å; V443-D446 PolarHBondContact O-N 3.45Å; V443-I447 HydrophobicContact CG2-CD1 3.58Å; V443-I447 HydrophobicContact CG2-CG1 4.28Å; V443-I447 VanDerWaalsContact O-CG1 3.27Å; V443-I447 WeakPolarHBondContact O-CG1 3.18Å; V443-I447 PolarHBondContact O-N 3.34Å; V443-I447 VanDerWaalsContact O-N 3.08Å
444	I	96.4	Very high	82.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-46.7	178.3	-55.7	-56.2	0	0	0	110.2	L178 M249 L252 H253 S442 D446 I447 F448	L178-I444 HydrophobicContact CD1-CD1 3.77Å; M249-I444 HydrophobicContact CB-CG2 3.92Å; M249-I444 HydrophobicContact CG-CG2 4.37Å; L252-I444 HydrophobicContact CB-CD1 3.8Å; L252-I444 HydrophobicContact CB-CG1 3.74Å; L252-I444 HydrophobicContact CD1-CD1 4.14Å; H253-I444 HydrophobicContact CB-CB 4.18Å; H253-I444 HydrophobicContact CB-CG1 4.4Å; H253-I444 HydrophobicContact CB-CG2 4.41Å; S442-I444 PolarHBondContact O-N 3.1Å; S442-I444 PolarHBondContact OG-N 3.42Å; I444-D446 VanDerWaalsContact C-N 3.33Å; I444-D446 PolarHBondContact O-N 2.78Å; I444-I447 PolarHBondContact O-N 3.34Å; I444-F448 HydrophobicContact CG2-CD2 4.08Å; I444-F448 PolarHBondContact O-N 2.88Å
445	S	95.3	Very high	85.3	Confident	12 Å²	12	53.5 Å²	53.5	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-69.9	-27.1	177.3	54.8	0	0	0	0	113.9	S442 D449	S442-S445 PolarHBondContact N-OG 2.76Å; S442-S445 PolarHBondContact O-N 3.16Å; S442-S445 PolarHBondContact O-OG 3.36Å; S442-S445 PolarHBondContact OG-N 2.85Å; S445-D449 VanDerWaalsContact CA-CG 3.4Å; S445-D449 VanDerWaalsContact CB-CG 3.46Å; S445-D449 WeakPolarHBondContact CB-OD2 3.49Å; S445-D449 WeakPolarHBondContact O-CB 3.32Å; S445-D449 PolarHBondContact O-N 3.46Å
446	D	94.4	Very high	87.9	Confident	21 Å²	21	44.8 Å²	44.8	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-39.6	173.1	-82.4	-34.5	0	0	0	111.8	R441 S442 V443 I444 K718 F722	R441-D446 IonicContact CZ-OD1 3.38Å; R441-D446 IonicContact CZ-OD2 2.67Å; R441-D446 VanDerWaalsContact NE-CG 3.3Å; R441-D446 IonicContact NE-OD1 2.86Å; R441-D446 PolarHBondContact NE-OD1 2.71Å; R441-D446 IonicContact NE-OD2 2.87Å; R441-D446 PolarHBondContact NE-OD2 3.16Å; R441-D446 VanDerWaalsContact NE-OD2 3.07Å; R441-D446 IonicContact NH2-OD1 3.33Å; R441-D446 PolarHBondContact NH2-OD1 3.22Å; R441-D446 IonicContact NH2-OD2 2.81Å; R441-D446 PolarHBondContact NH2-OD2 2.75Å; S442-D446 PolarHBondContact O-N 3.12Å; V443-D446 PolarHBondContact O-N 3.45Å; I444-D446 VanDerWaalsContact C-N 3.33Å; I444-D446 PolarHBondContact O-N 2.78Å; D446-K718 VanDerWaalsContact OD2-CE 3.28Å; D446-K718 WeakPolarHBondContact OD2-CE 3.29Å; D446-K718 IonicContact OD2-NZ 2.69Å; D446-K718 PolarHBondContact OD2-NZ 2.97Å; D446-F722 HydrophobicContact CB-CE2 4.33Å; D446-F722 HydrophobicContact CB-CZ 4.04Å; D446-F722 WeakPolarHBondContact O-CE2 3.27Å
447	I	97.1	Very high	90.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-83.9	-47.5	-174.5	-64.3	171.4	0	0	0	111.9	P177 L178 V443 I444 P578 E579 I580 F722	P177-I447 HydrophobicContact CB-CD1 3.8Å; P177-I447 HydrophobicContact CB-CG1 3.85Å; P177-I447 HydrophobicContact CB-CG2 4.32Å; L178-I447 HydrophobicContact CB-CD1 3.82Å; L178-I447 HydrophobicContact CD1-CD1 3.99Å; V443-I447 HydrophobicContact CG2-CD1 3.58Å; V443-I447 HydrophobicContact CG2-CG1 4.28Å; V443-I447 VanDerWaalsContact O-CG1 3.27Å; V443-I447 WeakPolarHBondContact O-CG1 3.18Å; V443-I447 PolarHBondContact O-N 3.34Å; V443-I447 VanDerWaalsContact O-N 3.08Å; I444-I447 PolarHBondContact O-N 3.34Å; I447-P578 WeakPolarHBondContact O-CB 3.36Å; I447-E579 PolarHBondContact O-N 2.75Å; I447-I580 HydrophobicContact CG2-CB 3.82Å; I447-I580 HydrophobicContact CG2-CG1 3.56Å; I447-I580 PolarHBondContact O-N 2.61Å; I447-F722 HydrophobicContact CG1-CE1 4.13Å; I447-F722 HydrophobicContact CG1-CZ 3.72Å
448	F	97.6	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-111.3	-19.5	-164.9	-59.1	-76.4	0	0	0	115.1	L172 L178 M249 I444 G450 Q472 P578 I580 F680	L172-F448 HydrophobicContact CD2-CE1 4.45Å; L172-F448 HydrophobicContact CD2-CZ 3.83Å; L178-F448 HydrophobicContact CD2-CE2 4.21Å; L178-F448 HydrophobicContact CD2-CZ 4.29Å; M249-F448 HydrophobicContact SD-CD1 4.31Å; M249-F448 HydrophobicContact SD-CD2 4.01Å; M249-F448 HydrophobicContact SD-CE2 4.23Å; M249-F448 HydrophobicContact SD-CG 4.05Å; M249-F448 HydrophobicContact SD-CZ 4.48Å; I444-F448 HydrophobicContact CG2-CD2 4.08Å; I444-F448 PolarHBondContact O-N 2.88Å; F448-G450 PolarHBondContact O-N 2.95Å; F448-G450 VanDerWaalsContact O-N 3.16Å; F448-Q472 HydrophobicContact CB-CB 4.44Å; F448-Q472 HydrophobicContact CB-CG 4.25Å; F448-P578 VanDerWaalsContact C-CB 3.46Å; F448-P578 VanDerWaalsContact O-CB 3.25Å; F448-P578 WeakPolarHBondContact O-CB 3.43Å; F448-I580 HydrophobicContact CD1-CB 4.03Å; F448-I580 HydrophobicContact CD1-CG2 4.17Å; F448-I580 HydrophobicContact CE1-CB 3.83Å; F448-I580 HydrophobicContact CE1-CG2 3.7Å; F448-F680 HydrophobicContact CE1-CD1 4.24Å; F448-F680 HydrophobicContact CE1-CE1 4.07Å
449	D	96.4	Very high	93.6	Very high	31 Å²	31	31.5 Å²	31.5	17%	0.166	15%	0.15	C	C	.	.			trans	-77.2	108.6	-177.6	-67.4	7.7	0	0	0	111.8	S445 F471 Q472 K576	S445-D449 VanDerWaalsContact CA-CG 3.4Å; S445-D449 VanDerWaalsContact CB-CG 3.46Å; S445-D449 WeakPolarHBondContact CB-OD2 3.49Å; S445-D449 WeakPolarHBondContact O-CB 3.32Å; S445-D449 PolarHBondContact O-N 3.46Å; D449-F471 WeakPolarHBondContact CA-O 3.3Å; D449-Q472 WeakPolarHBondContact OD1-CG 3.28Å; D449-Q472 PolarHBondContact OD1-NE2 3.15Å; D449-K576 PolarHBondContact O-NZ 3.03Å
450	G	95	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	177.3	160.8	0	0	0	0	0	112.4	F448 T470 F471 K576	F448-G450 PolarHBondContact O-N 2.95Å; F448-G450 VanDerWaalsContact O-N 3.16Å; G450-T470 WeakPolarHBondContact O-CA 3.49Å; G450-F471 VanDerWaalsContact C-CE1 3.47Å; G450-F471 PolarHBondContact N-O 3.38Å; G450-F471 PolarHBondContact O-N 3.07Å; G450-F471 VanDerWaalsContact O-N 3.14Å; G450-K576 CarbonylContact C-O 3.55Å; G450-K576 VanDerWaalsContact CA-O 3.26Å; G450-K576 WeakPolarHBondContact CA-O 3.22Å
451	T	95.1	Very high	94.6	Very high	32 Å²	32	26.6 Å²	26.6	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	128.3	176.8	-48.6	0	0	0	0	111.1	L468 Q575 K576	T451-L468 HydrophobicContact CG2-CB 4.46Å; T451-L468 HydrophobicContact CG2-CD2 4.04Å; T451-Q575 PolarHBondContact O-N 2.87Å; T451-K576 PolarHBondContact N-O 3.36Å; T451-K576 PolarHBondContact O-N 2.88Å
452	I	94.6	Very high	94.7	Very high	15 Å²	15	26.5 Å²	26.5	8%	0.077	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.2	175.5	-75.4	163	0	0	0	109.4	L468 E469 F471 L474 F545 C572 K573 V574	I452-L468 WeakPolarHBondContact O-CA 3.36Å; I452-E469 PolarHBondContact N-O 3.08Å; I452-E469 PolarHBondContact O-N 3.47Å; I452-F471 HydrophobicContact CD1-CD1 3.67Å; I452-F471 HydrophobicContact CD1-CE1 4Å; I452-F471 HydrophobicContact CD1-CG 4.3Å; I452-F471 HydrophobicContact CG1-CD1 3.71Å; I452-F471 HydrophobicContact CG1-CE1 3.72Å; I452-L474 HydrophobicContact CD1-CD2 4.01Å; I452-F545 HydrophobicContact CD1-CE1 4.22Å; I452-F545 HydrophobicContact CD1-CZ 4.46Å; I452-C572 HydrophobicContact CG2-CB 3.78Å; I452-K573 CarbonylContact C-O 3.55Å; I452-K573 WeakPolarHBondContact CA-O 3.28Å; I452-V574 HydrophobicContact CG1-CG2 4.2Å
453	I	94.1	Very high	94.7	Very high	38 Å²	38	30.8 Å²	30.8	20%	0.195	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.9	156.4	-73.9	164.5	0	0	0	107.4	V466 L468 C572 K573 Q575 A616	I453-V466 HydrophobicContact CG2-CG1 3.79Å; I453-L468 HydrophobicContact CD1-CD2 4.43Å; I453-L468 HydrophobicContact CG1-CD2 3.49Å; I453-L468 VanDerWaalsContact CG1-CD2 3.49Å; I453-C572 CarbonylContact O-C 3.5Å; I453-C572 WeakPolarHBondContact O-CA 3.42Å; I453-C572 WeakPolarHBondContact O-CB 3.42Å; I453-K573 PolarHBondContact N-O 3.4Å; I453-K573 PolarHBondContact O-N 3.04Å; I453-Q575 HydrophobicContact CD1-CB 3.89Å; I453-Q575 HydrophobicContact CD1-CG 4.06Å; I453-Q575 VanDerWaalsContact CD1-OE1 3.26Å; I453-Q575 HydrophobicContact CG1-CB 3.99Å; I453-Q575 HydrophobicContact CG1-CG 4.5Å; I453-A616 HydrophobicContact CD1-CB 4.27Å
454	S	92.5	Very high	94.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.7	174.9	168.2	0	0	0	0	107.4	V466 T467 E469 K570	S454-V466 CarbonylContact O-C 3.57Å; S454-V466 WeakPolarHBondContact O-CA 3.12Å; S454-T467 WeakPolarHBondContact CB-OG1 3.2Å; S454-T467 PolarHBondContact N-O 2.76Å; S454-T467 PolarHBondContact O-N 3.35Å; S454-T467 PolarHBondContact O-OG1 3.4Å; S454-T467 PolarHBondContact OG-OG1 3.31Å; S454-E469 WeakPolarHBondContact CB-OE1 3.44Å; S454-E469 PolarHBondContact OG-OE1 3.43Å; S454-K570 VanDerWaalsContact OG-CE 3.23Å; S454-K570 WeakPolarHBondContact OG-CE 3.19Å; S454-K570 PolarHBondContact OG-NZ 2.77Å
455	S	93.1	Very high	94.3	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.9	-173.1	-70.6	0	0	0	0	110.1	S465 K570 F571	S455-S465 WeakPolarHBondContact CA-O 3.35Å; S455-K570 CarbonylContact O-C 3.52Å; S455-K570 WeakPolarHBondContact O-CA 3.31Å; S455-F571 VanDerWaalsContact CB-CE2 3.45Å; S455-F571 PolarHBondContact N-O 2.89Å; S455-F571 PolarHBondContact O-N 2.92Å
456	V	94.6	Very high	94.1	Very high	19 Å²	19	38 Å²	38	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.4	179.6	-170.5	0	0	0	0	110.4	V464 S465 L551 Y557 V569 K570	V456-V464 WeakPolarHBondContact O-CA 3.37Å; V456-S465 PolarHBondContact N-O 2.94Å; V456-S465 PolarHBondContact O-N 2.66Å; V456-L551 HydrophobicContact CG1-CD1 3.77Å; V456-L551 HydrophobicContact CG2-CD1 4.47Å; V456-Y557 HydrophobicContact CB-CD2 4.49Å; V456-Y557 HydrophobicContact CB-CE2 4.16Å; V456-Y557 HydrophobicContact CG1-CD1 3.82Å; V456-Y557 HydrophobicContact CG1-CD2 3.87Å; V456-Y557 HydrophobicContact CG1-CE1 3.64Å; V456-Y557 HydrophobicContact CG1-CE2 3.66Å; V456-Y557 HydrophobicContact CG1-CG 3.93Å; V456-V569 WeakPolarHBondContact CA-O 3.31Å; V456-K570 HydrophobicContact CG2-CB 4.18Å; V456-K570 HydrophobicContact CG2-CG 4.19Å
457	Q	95.1	Very high	94	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.5	174.1	-177	178.6	-8.9	0	0	110.8	L459 D462 V464 G568 V569	Q457-L459 PolarHBondContact O-N 2.83Å; Q457-D462 PolarHBondContact NE2-OD1 2.8Å; Q457-V464 HydrophobicContact CB-CG2 4.15Å; Q457-V464 HydrophobicContact CG-CG2 4.26Å; Q457-G568 WeakPolarHBondContact O-CA 3.4Å; Q457-V569 PolarHBondContact N-O 2.87Å; Q457-V569 PolarHBondContact O-N 3.22Å; Q457-V569 VanDerWaalsContact O-N 3.09Å
458	C	95.1	Very high	93.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.4	173.9	-166.1	0	0	0	0	111.9	T460 C461 D462 R463 Y557	C458-T460 PolarHBondContact O-N 3.01Å; C458-C461 PolarHBondContact O-N 2.65Å; C458-D462 WeakPolarHBondContact O-CA 3.06Å; C458-D462 PolarHBondContact O-N 2.75Å; C458-R463 PolarHBondContact N-O 2.81Å; C458-Y557 WeakPolarHBondContact CA-OH 3.22Å; C458-Y557 WeakPolarHBondContact CB-OH 3.26Å; C458-Y557 PolarHBondContact N-OH 3.03Å; C458-Y557 VanDerWaalsContact N-OH 3.17Å
459	L	94.4	Very high	93.6	Very high	80 Å²	80	50 Å²	50	42%	0.419	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	28.8	176.4	-61.4	179.7	0	0	0	113.7	Q457 N567 V569	Q457-L459 PolarHBondContact O-N 2.83Å; L459-N567 HydrophobicContact CB-CB 4.44Å; L459-N567 HydrophobicContact CD1-CB 4.37Å; L459-N567 PolarHBondContact N-O 3.48Å; L459-N567 VanDerWaalsContact N-O 3.1Å; L459-V569 HydrophobicContact CD1-CG2 4.06Å; L459-V569 HydrophobicContact CD2-CG2 4.07Å; L459-V569 HydrophobicContact CG-CG2 4.29Å
460	T	93.4	Very high	93.5	Very high	84 Å²	84	53.7 Å²	53.7	52%	0.515	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	-16.4	-178	-51.7	0	0	0	0	112.9	C458	C458-T460 PolarHBondContact O-N 3.01Å
461	C	94	Very high	93.5	Very high	24 Å²	24	54.7 Å²	54.7	16%	0.162	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.9	10.2	178.6	71.9	0	0	0	0	114.3	C458 R463 C559 K561 C562	C458-C461 PolarHBondContact O-N 2.65Å; C461-R463 PolarHBondContact O-N 3.3Å; C461-C559 VanDerWaalsContact SG-SG 3.68Å; C461-K561 HydrophobicContact CB-CD 4.13Å; C461-K561 PolarHBondContact O-NZ 3.16Å; C461-C562 VanDerWaalsContact SG-SG 3.61Å
462	D	94	Very high	93.5	Very high	110 Å²	110	54.2 Å²	54.2	59%	0.588	30%	0.295	S	S	*	.			trans	51.8	10.8	175.8	-62.2	-68.7	0	0	0	117.4	Q457 C458 V464	Q457-D462 PolarHBondContact NE2-OD1 2.8Å; C458-D462 WeakPolarHBondContact O-CA 3.06Å; C458-D462 PolarHBondContact O-N 2.75Å; D462-V464 PolarHBondContact O-N 3.18Å
463	R	92	Very high	93.6	Very high	93 Å²	93	54 Å²	54	35%	0.351	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-66.4	123.7	167.7	-178.7	170.3	179.7	-154.7	-15.7	109.1	C458 C461 E560 K561	C458-R463 PolarHBondContact N-O 2.81Å; C461-R463 PolarHBondContact O-N 3.3Å; R463-E560 IonicContact CZ-OE1 2.7Å; R463-E560 IonicContact CZ-OE2 2.98Å; R463-E560 VanDerWaalsContact NH1-CB 3.3Å; R463-E560 IonicContact NH1-OE1 3.96Å; R463-E560 IonicContact NH1-OE2 3.76Å; R463-E560 PolarHBondContact NH1-OE2 2.95Å; R463-E560 IonicContact NH2-OE1 3.73Å; R463-E560 PolarHBondContact NH2-OE1 2.81Å; R463-E560 VanDerWaalsContact NH2-OE1 3.1Å; R463-E560 IonicContact NH2-OE2 3.68Å; R463-E560 PolarHBondContact NH2-OE2 3.14Å; R463-K561 HydrophobicContact CB-CB 4.39Å; R463-K561 HydrophobicContact CB-CD 3.89Å
464	V	91.9	Very high	93.7	Very high	62 Å²	62	52.3 Å²	52.3	38%	0.376	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.2	160.4	-173.4	0	0	0	0	107.7	V456 Q457 D462 V466	V456-V464 WeakPolarHBondContact O-CA 3.37Å; Q457-V464 HydrophobicContact CB-CG2 4.15Å; Q457-V464 HydrophobicContact CG-CG2 4.26Å; D462-V464 PolarHBondContact O-N 3.18Å; V464-V466 HydrophobicContact CG1-CG2 3.98Å
465	S	90.9	Very high	93.9	Very high	20 Å²	20	53.3 Å²	53.3	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.6	161.9	-68.6	0	0	0	0	108.3	S455 V456 E560	S455-S465 WeakPolarHBondContact CA-O 3.35Å; V456-S465 PolarHBondContact N-O 2.94Å; V456-S465 PolarHBondContact O-N 2.66Å; S465-E560 PolarHBondContact OG-OE1 2.62Å
466	V	91.7	Very high	94.1	Very high	91 Å²	91	52.8 Å²	52.8	55%	0.552	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.4	-174.1	-174.7	0	0	0	0	109	I453 S454 V464	I453-V466 HydrophobicContact CG2-CG1 3.79Å; S454-V466 CarbonylContact O-C 3.57Å; S454-V466 WeakPolarHBondContact O-CA 3.12Å; V464-V466 HydrophobicContact CG1-CG2 3.98Å
467	T	92.1	Very high	94.1	Very high	69 Å²	69	54.2 Å²	54.2	42%	0.423	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.4	175.2	47.2	0	0	0	0	110.7	S454 E469	S454-T467 WeakPolarHBondContact CB-OG1 3.2Å; S454-T467 PolarHBondContact N-O 2.76Å; S454-T467 PolarHBondContact O-N 3.35Å; S454-T467 PolarHBondContact O-OG1 3.4Å; S454-T467 PolarHBondContact OG-OG1 3.31Å; T467-E469 PolarHBondContact OG1-OE1 2.66Å
468	L	92.6	Very high	94.1	Very high	124 Å²	124	51.5 Å²	51.5	65%	0.649	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	123	169.2	-74	169.3	0	0	0	108.5	T451 I452 I453	T451-L468 HydrophobicContact CG2-CB 4.46Å; T451-L468 HydrophobicContact CG2-CD2 4.04Å; I452-L468 WeakPolarHBondContact O-CA 3.36Å; I453-L468 HydrophobicContact CD1-CD2 4.43Å; I453-L468 HydrophobicContact CG1-CD2 3.49Å; I453-L468 VanDerWaalsContact CG1-CD2 3.49Å
469	E	92.9	Very high	93.9	Very high	79 Å²	79	52 Å²	52	37%	0.369	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118	-173.5	-71.7	162.8	-143.3	0	0	108.7	I452 S454 T467	I452-E469 PolarHBondContact N-O 3.08Å; I452-E469 PolarHBondContact O-N 3.47Å; S454-E469 WeakPolarHBondContact CB-OE1 3.44Å; S454-E469 PolarHBondContact OG-OE1 3.43Å; T467-E469 PolarHBondContact OG1-OE1 2.66Å
470	T	94.5	Very high	93.5	Very high	108 Å²	108	49.4 Å²	49.4	66%	0.663	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.4	175.5	46.7	0	0	0	0	111.2	G450	G450-T470 WeakPolarHBondContact O-CA 3.49Å
471	F	95.2	Very high	93	Very high	22 Å²	22	54.1 Å²	54.1	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.2	179.2	71.9	-89.6	0	0	0	111.7	D449 G450 I452 L474 V574 L581	D449-F471 WeakPolarHBondContact CA-O 3.3Å; G450-F471 VanDerWaalsContact C-CE1 3.47Å; G450-F471 PolarHBondContact N-O 3.38Å; G450-F471 PolarHBondContact O-N 3.07Å; G450-F471 VanDerWaalsContact O-N 3.14Å; I452-F471 HydrophobicContact CD1-CD1 3.67Å; I452-F471 HydrophobicContact CD1-CE1 4Å; I452-F471 HydrophobicContact CD1-CG 4.3Å; I452-F471 HydrophobicContact CG1-CD1 3.71Å; I452-F471 HydrophobicContact CG1-CE1 3.72Å; F471-L474 HydrophobicContact CD1-CD2 4.36Å; F471-L474 HydrophobicContact CD2-CD2 3.54Å; F471-L474 HydrophobicContact CD2-CG 3.92Å; F471-L474 HydrophobicContact CE1-CD2 4.38Å; F471-L474 HydrophobicContact CE2-CD1 4.23Å; F471-L474 HydrophobicContact CE2-CD2 3.58Å; F471-L474 HydrophobicContact CE2-CG 3.65Å; F471-L474 HydrophobicContact CG-CD2 3.96Å; F471-L474 HydrophobicContact CZ-CD1 4.49Å; F471-L474 HydrophobicContact CZ-CD2 4.01Å; F471-L474 HydrophobicContact CZ-CG 4.3Å; F471-V574 HydrophobicContact CE1-CG1 4.28Å; F471-V574 HydrophobicContact CZ-CG1 4.41Å; F471-L581 HydrophobicContact CE2-CD1 3.82Å; F471-L581 HydrophobicContact CZ-CD1 4.46Å
472	Q	95.6	Very high	92.4	Very high	21 Å²	21	59.9 Å²	59.9	10%	0.098	32%	0.32	C	S	.	.	S	Bend	trans	-107.2	-27.9	172.1	-75.1	174	-0.5	0	0	112.8	M249 F448 D449 C582	M249-Q472 HydrophobicContact CE-CB 4.18Å; F448-Q472 HydrophobicContact CB-CB 4.44Å; F448-Q472 HydrophobicContact CB-CG 4.25Å; D449-Q472 WeakPolarHBondContact OD1-CG 3.28Å; D449-Q472 PolarHBondContact OD1-NE2 3.15Å; Q472-C582 WeakPolarHBondContact O-CB 3.26Å
473	D	95.8	Very high	91.8	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.8	172.1	76.8	-80.1	0	0	0	111.3	Q242 R246 S475 C582	Q242-D473 PolarHBondContact NE2-OD1 3.4Å; Q242-D473 PolarHBondContact NE2-OD2 2.91Å; R246-D473 WeakPolarHBondContact CD-OD1 3.4Å; R246-D473 IonicContact CZ-OD1 3.34Å; R246-D473 IonicContact NE-OD1 3.77Å; R246-D473 IonicContact NH1-OD1 2.76Å; R246-D473 PolarHBondContact NH1-OD1 2.95Å; D473-S475 PolarHBondContact OD2-OG 3.09Å; D473-C582 WeakPolarHBondContact CA-O 3.36Å; D473-C582 HydrophobicContact CB-CB 4.04Å
474	L	96.9	Very high	91.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.9	166.9	-65.4	-176.7	0	0	0	109.4	I452 F471 L476 L542 F545 F546 L581 C582 H584	I452-L474 HydrophobicContact CD1-CD2 4.01Å; F471-L474 HydrophobicContact CD1-CD2 4.36Å; F471-L474 HydrophobicContact CD2-CD2 3.54Å; F471-L474 HydrophobicContact CD2-CG 3.92Å; F471-L474 HydrophobicContact CE1-CD2 4.38Å; F471-L474 HydrophobicContact CE2-CD1 4.23Å; F471-L474 HydrophobicContact CE2-CD2 3.58Å; F471-L474 HydrophobicContact CE2-CG 3.65Å; F471-L474 HydrophobicContact CG-CD2 3.96Å; F471-L474 HydrophobicContact CZ-CD1 4.49Å; F471-L474 HydrophobicContact CZ-CD2 4.01Å; F471-L474 HydrophobicContact CZ-CG 4.3Å; L474-L476 HydrophobicContact CB-CD2 3.99Å; L474-L476 HydrophobicContact CB-CG 4.44Å; L474-L476 PolarHBondContact O-N 3.47Å; L474-L476 VanDerWaalsContact O-N 3.15Å; L474-L542 HydrophobicContact CD1-CD2 4.27Å; L474-F545 HydrophobicContact CD2-CE1 4.19Å; L474-F545 HydrophobicContact CD2-CZ 4.23Å; L474-F546 HydrophobicContact CD1-CE2 4.48Å; L474-F546 HydrophobicContact CD1-CZ 4.39Å; L474-L581 HydrophobicContact CD1-CD1 3.99Å; L474-L581 HydrophobicContact CG-CD1 4.11Å; L474-C582 PolarHBondContact N-O 3.27Å; L474-H584 PolarHBondContact O-N 2.87Å
475	S	97.1	Very high	90.8	Very high	24 Å²	24	53.5 Å²	53.5	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	83.7	174.8	-77.1	0	0	0	0	111.6	Q242 D473 H584 K586	Q242-S475 PolarHBondContact NE2-OG 3.01Å; D473-S475 PolarHBondContact OD2-OG 3.09Å; S475-H584 CarbonylContact C-O 3.48Å; S475-H584 WeakPolarHBondContact CA-O 3.45Å; S475-H584 PolarHBondContact OG-ND1 2.79Å; S475-K586 VanDerWaalsContact O-CE 3.24Å; S475-K586 WeakPolarHBondContact O-CE 3.15Å; S475-K586 PolarHBondContact O-NZ 3.14Å
476	L	96.6	Very high	90.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.9	-173.5	-53.1	-179.4	0	0	0	113.4	L474 L538 C541 L542 F545 I583 H584 L585 K586	L474-L476 HydrophobicContact CB-CD2 3.99Å; L474-L476 HydrophobicContact CB-CG 4.44Å; L474-L476 PolarHBondContact O-N 3.47Å; L474-L476 VanDerWaalsContact O-N 3.15Å; L476-L538 HydrophobicContact CD1-CD1 4.08Å; L476-C541 HydrophobicContact CB-CB 4.2Å; L476-C541 HydrophobicContact CD1-CB 3.9Å; L476-L542 HydrophobicContact CD1-CD2 3.8Å; L476-L542 HydrophobicContact CD1-CG 3.84Å; L476-L542 HydrophobicContact CD2-CD2 3.97Å; L476-F545 HydrophobicContact CD2-CB 3.57Å; L476-F545 HydrophobicContact CD2-CD1 4.25Å; L476-F545 HydrophobicContact CD2-CD2 3.87Å; L476-F545 HydrophobicContact CD2-CG 3.64Å; L476-I583 HydrophobicContact CD1-CG2 3.42Å; L476-I583 VanDerWaalsContact CD1-CG2 3.42Å; L476-I583 HydrophobicContact CG-CG2 3.79Å; L476-H584 PolarHBondContact N-O 3.37Å; L476-L585 HydrophobicContact CB-CD2 4.25Å; L476-L585 HydrophobicContact CD1-CD2 4.33Å; L476-K586 VanDerWaalsContact O-CB 3.32Å; L476-K586 WeakPolarHBondContact O-CB 3.29Å; L476-K586 WeakPolarHBondContact O-CG 3.14Å; L476-K586 PolarHBondContact O-N 3.25Å
477	P	94.9	Very high	89.7	Confident	48 Å²	48	54.8 Å²	54.8	31%	0.312	30%	0.296	S	S	.	.			trans	-75	146.7	165.9	33.7	-33.2	0	0	0	111.1	A544	P477-A544 HydrophobicContact CG-CB 4.08Å
478	I	94.3	Very high	89	Confident	9 Å²	9	56 Å²	56	5%	0.046	30%	0.296	C	S	.	.			trans	-89.6	115.1	165.4	-56.4	176	0	0	0	107.5	V536 L585 R587 I598 T600 V602	I478-V536 HydrophobicContact CG2-CG1 4.5Å; I478-L585 HydrophobicContact CD1-CB 4.31Å; I478-L585 HydrophobicContact CG1-CB 4.4Å; I478-R587 HydrophobicContact CD1-CG 3.84Å; I478-I598 HydrophobicContact CB-CD1 4.48Å; I478-I598 HydrophobicContact CB-CG2 4.41Å; I478-I598 HydrophobicContact CD1-CB 4.35Å; I478-I598 HydrophobicContact CD1-CG2 3.98Å; I478-I598 HydrophobicContact CG2-CG2 4.29Å; I478-T600 HydrophobicContact CG2-CG2 4.26Å; I478-V602 HydrophobicContact CD1-CG2 4.18Å; I478-V602 HydrophobicContact CG1-CG2 4.25Å; I478-V602 HydrophobicContact CG2-CG2 4.02Å
479	P	91.3	Very high	88	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.065	29%	0.289	C	S	.	.			trans	-70.6	147.5	-174.8	27.8	-34.6	0	0	0	112.7	D483 L484 L487 V536 D540 A544	P479-D483 HydrophobicContact CB-CB 3.93Å; P479-L484 HydrophobicContact CB-CG 4.19Å; P479-L484 HydrophobicContact CG-CD1 4.47Å; P479-L484 HydrophobicContact CG-CD2 4.04Å; P479-L484 HydrophobicContact CG-CG 4Å; P479-L487 HydrophobicContact CB-CD1 4.43Å; P479-V536 HydrophobicContact CG-CG1 3.93Å; P479-D540 HydrophobicContact CG-CB 4.32Å; P479-A544 HydrophobicContact CB-CB 4.38Å
480	G	86.8	Confident	86.3	Confident	27 Å²	27	54 Å²	54	28%	0.278	30%	0.302	S	S	.	.			trans	-77	169.8	171.6	0	0	0	0	0	112.5	E482 D483 L484	G480-E482 PolarHBondContact O-N 2.9Å; G480-D483 WeakPolarHBondContact CA-OD2 3.33Å; G480-D483 PolarHBondContact N-OD2 3.46Å; G480-D483 PolarHBondContact O-N 3.47Å; G480-L484 PolarHBondContact O-N 3.22Å
481	K	82.7	Confident	84	Confident	182 Å²	182	53 Å²	53	79%	0.791	30%	0.299	S	S	*	.	H	α-helix	trans	-55.3	-37.6	177	-69.1	-175.2	178.3	-179.2	0	112.9	A485	K481-A485 PolarHBondContact O-N 2.62Å
482	E	81.1	Confident	80.9	Confident	145 Å²	145	58.5 Å²	58.5	68%	0.678	33%	0.325	S	S	*	.	H	α-helix	trans	-71	-34	176.3	-64.6	-180	-160	0	0	112.5	G480 A485 K486	G480-E482 PolarHBondContact O-N 2.9Å; E482-A485 PolarHBondContact O-N 2.8Å; E482-K486 WeakPolarHBondContact O-CE 3.36Å; E482-K486 VanDerWaalsContact O-CG 3.28Å; E482-K486 WeakPolarHBondContact O-CG 3.28Å; E482-K486 PolarHBondContact O-N 3.33Å
483	D	80.3	Confident	78	Confident	66 Å²	66	63.7 Å²	63.7	35%	0.353	36%	0.36	S	S	.	.	H	α-helix	trans	-76.6	-38.2	-177.8	-49.6	-48.4	0	0	0	111	P479 G480 A485 K486 L487	P479-D483 HydrophobicContact CB-CB 3.93Å; G480-D483 WeakPolarHBondContact CA-OD2 3.33Å; G480-D483 PolarHBondContact N-OD2 3.46Å; G480-D483 PolarHBondContact O-N 3.47Å; D483-A485 VanDerWaalsContact C-N 3.31Å; D483-A485 PolarHBondContact O-N 2.95Å; D483-K486 WeakPolarHBondContact O-CB 3.38Å; D483-K486 PolarHBondContact O-N 3.26Å; D483-K486 VanDerWaalsContact O-N 3.13Å; D483-K486 IonicContact OD1-NZ 3.19Å; D483-K486 PolarHBondContact OD1-NZ 2.84Å; D483-L487 VanDerWaalsContact O-CG 3.29Å; D483-L487 WeakPolarHBondContact O-CG 3.36Å; D483-L487 PolarHBondContact O-N 3.29Å
484	L	82.9	Confident	74.8	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	40%	0.395	C	S	.	.	H	α-helix	trans	-55.9	-45.6	166.8	-74.3	153.9	0	0	0	111.2	P479 G480 K486 L487 H488 V536 D540	P479-L484 HydrophobicContact CB-CG 4.19Å; P479-L484 HydrophobicContact CG-CD1 4.47Å; P479-L484 HydrophobicContact CG-CD2 4.04Å; P479-L484 HydrophobicContact CG-CG 4Å; G480-L484 PolarHBondContact O-N 3.22Å; L484-K486 VanDerWaalsContact C-N 3.31Å; L484-K486 PolarHBondContact O-N 2.91Å; L484-L487 PolarHBondContact O-N 2.61Å; L484-H488 WeakPolarHBondContact O-CB 3.35Å; L484-H488 PolarHBondContact O-N 3.29Å; L484-V536 HydrophobicContact CD1-CG2 3.82Å; L484-V536 HydrophobicContact CD2-CG1 4.43Å; L484-D540 HydrophobicContact CD2-CB 3.7Å
485	A	80.3	Confident	71.3	Confident	60 Å²	60	73.4 Å²	73.4	50%	0.496	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-35.3	175.6	0	0	0	0	0	113	K481 E482 D483 S489	K481-A485 PolarHBondContact O-N 2.62Å; E482-A485 PolarHBondContact O-N 2.8Å; D483-A485 VanDerWaalsContact C-N 3.31Å; D483-A485 PolarHBondContact O-N 2.95Å; A485-S489 WeakPolarHBondContact O-CB 3.1Å; A485-S489 PolarHBondContact O-N 2.68Å; A485-S489 VanDerWaalsContact O-N 3.13Å; A485-S489 PolarHBondContact O-OG 3.29Å
486	K	80.4	Confident	68	Low	109 Å²	109	79.2 Å²	79.2	47%	0.474	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-43.4	173	-65	160.7	-150.8	160.9	0	111.6	E482 D483 L484 S489 S490	E482-K486 WeakPolarHBondContact O-CE 3.36Å; E482-K486 VanDerWaalsContact O-CG 3.28Å; E482-K486 WeakPolarHBondContact O-CG 3.28Å; E482-K486 PolarHBondContact O-N 3.33Å; D483-K486 WeakPolarHBondContact O-CB 3.38Å; D483-K486 PolarHBondContact O-N 3.26Å; D483-K486 VanDerWaalsContact O-N 3.13Å; D483-K486 IonicContact OD1-NZ 3.19Å; D483-K486 PolarHBondContact OD1-NZ 2.84Å; L484-K486 VanDerWaalsContact C-N 3.31Å; L484-K486 PolarHBondContact O-N 2.91Å; K486-S489 PolarHBondContact O-OG 2.83Å; K486-S490 VanDerWaalsContact O-CB 3.27Å; K486-S490 WeakPolarHBondContact O-CB 3.27Å; K486-S490 PolarHBondContact O-N 2.8Å; K486-S490 PolarHBondContact O-OG 3.21Å
487	L	79.4	Confident	64.7	Low	30 Å²	30	86.3 Å²	86.3	16%	0.157	49%	0.494	C	S	.	.	H	α-helix	trans	-65.7	-42.2	178.8	-69.2	165.2	0	0	0	112.1	P479 D483 L484 S490 S491 A543 A544	P479-L487 HydrophobicContact CB-CD1 4.43Å; D483-L487 VanDerWaalsContact O-CG 3.29Å; D483-L487 WeakPolarHBondContact O-CG 3.36Å; D483-L487 PolarHBondContact O-N 3.29Å; L484-L487 PolarHBondContact O-N 2.61Å; L487-S490 PolarHBondContact O-OG 2.87Å; L487-S491 PolarHBondContact O-N 3.29Å; L487-S491 PolarHBondContact O-OG 2.85Å; L487-A543 HydrophobicContact CD2-CB 4.23Å; L487-A544 HydrophobicContact CD1-CB 4.02Å
488	H	77.9	Confident	61.6	Low	94 Å²	94	93.6 Å²	93.6	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-79.1	-18.9	-179	-63	176.1	0	0	0	113.6	L484 S491 D540	L484-H488 WeakPolarHBondContact O-CB 3.35Å; L484-H488 PolarHBondContact O-N 3.29Å; H488-S491 WeakPolarHBondContact CA-OG 3.45Å; H488-S491 PolarHBondContact O-OG 2.83Å; H488-D540 IonicContact CD2-OD1 3.97Å; H488-D540 IonicContact CE1-OD1 2.65Å; H488-D540 IonicContact NE2-OD1 3.68Å; H488-D540 PolarHBondContact NE2-OD1 3.08Å
489	S	71.7	Confident	58.7	Low	72 Å²	72	98.1 Å²	98.1	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-90	-34.4	172.1	55	0	0	0	0	113.3	A485 K486 S491 H492	A485-S489 WeakPolarHBondContact O-CB 3.1Å; A485-S489 PolarHBondContact O-N 2.68Å; A485-S489 VanDerWaalsContact O-N 3.13Å; A485-S489 PolarHBondContact O-OG 3.29Å; K486-S489 PolarHBondContact O-OG 2.83Å; S489-S491 PolarHBondContact O-N 3.02Å; S489-H492 PolarHBondContact O-N 3.45Å
490	S	56.7	Low	55.6	Low	90 Å²	90	101 Å²	101	63%	0.629	59%	0.591	S	S	*	*	H	α-helix	trans	-74.2	-8.8	177.4	57.5	0	0	0	0	114.6	K486 L487 H492	K486-S490 VanDerWaalsContact O-CB 3.27Å; K486-S490 WeakPolarHBondContact O-CB 3.27Å; K486-S490 PolarHBondContact O-N 2.8Å; K486-S490 PolarHBondContact O-OG 3.21Å; L487-S490 PolarHBondContact O-OG 2.87Å; S490-H492 VanDerWaalsContact C-N 3.35Å
491	S	45.6	Very low	52.7	Low	86 Å²	86	105.6 Å²	105.6	60%	0.601	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-1.6	175.1	30.2	0	0	0	0	114.2	L487 H488 S489	L487-S491 PolarHBondContact O-N 3.29Å; L487-S491 PolarHBondContact O-OG 2.85Å; H488-S491 WeakPolarHBondContact CA-OG 3.45Å; H488-S491 PolarHBondContact O-OG 2.83Å; S489-S491 PolarHBondContact O-N 3.02Å
492	H	31	Very low	50.1	Low	137 Å²	137	102.9 Å²	102.9	63%	0.634	62%	0.622	S	S	*	*	S	Bend	trans	-75.3	135.4	163.8	-77.5	-63.1	0	0	0	111.4	S489 S490 T494	S489-H492 PolarHBondContact O-N 3.45Å; S490-H492 VanDerWaalsContact C-N 3.35Å; H492-T494 VanDerWaalsContact C-N 3.26Å; H492-T494 PolarHBondContact O-N 2.99Å; H492-T494 PolarHBondContact O-OG1 2.62Å
493	P	35.4	Very low	47.6	Very low	130 Å²	130	99.2 Å²	99.2	84%	0.844	62%	0.623	S	S	*	*			trans	-72.6	78.1	178.5	30.9	-35.6	0	0	0	111.3	S495	P493-S495 PolarHBondContact O-N 2.85Å
494	T	27.3	Very low	45.1	Very low	129 Å²	129	105.8 Å²	105.8	79%	0.791	65%	0.651	S	S	*	*			trans	-75.3	119.1	-177.3	-54.2	0	0	0	0	110.2	H492	H492-T494 VanDerWaalsContact C-N 3.26Å; H492-T494 PolarHBondContact O-N 2.99Å; H492-T494 PolarHBondContact O-OG1 2.62Å
495	S	24.2	Very low	42.5	Very low	89 Å²	89	110.2 Å²	110.2	62%	0.622	69%	0.689	S	S	*	*			trans	-78.6	147.4	-168.4	60	0	0	0	0	114.5	P493	P493-S495 PolarHBondContact O-N 2.85Å
496	I	26.7	Very low	40	Very low	145 Å²	145	118.3 Å²	118.3	74%	0.744	71%	0.708	S	S	*	*			trans	71	103	154	-57.8	152.9	0	0	0	116.8
497	V	28.1	Very low	37.6	Very low	149 Å²	149	117.3 Å²	117.3	90%	0.903	72%	0.72	S	S	*	*	S	Bend		-115.1	154.4	119.6	-179.4	0	0	0	0	106.7
498	K	28.8	Very low	35.7	Very low	201 Å²	201	121.6 Å²	121.6	87%	0.874	75%	0.75	S	S	*	*			trans	-61.8	143	-157.6	-90.3	-177	173.1	180	0	116.2
499	A	33.3	Very low	33.6	Very low	104 Å²	104	126.7 Å²	126.7	86%	0.86	77%	0.774	S	S	*	*			trans	-93.5	178.7	-178.3	0	0	0	0	0	114.3
500	G	26.2	Very low	31.8	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	78%	0.776	S	S	*	*			trans	-160.6	94.1	161.4	0	0	0	0	0	113.3
501	S	26.3	Very low	30.8	Very low	124 Å²	124	131.2 Å²	131.2	87%	0.867	78%	0.783	S	S	*	*			trans	58.8	157.2	174.6	-75.1	0	0	0	0	117.7
502	C	28.2	Very low	30.6	Very low	126 Å²	126	132.5 Å²	132.5	85%	0.851	78%	0.782	S	S	*	*			cis	-167	164.6	-26.3	55	0	0	0	0	107.5
503	G	27.9	Very low	31.1	Very low	67 Å²	67	129.2 Å²	129.2	69%	0.691	78%	0.779	S	S	*	*			cis	172.7	148.6	-7.6	0	0	0	0	0	110.9
504	E	29.5	Very low	31.3	Very low	204 Å²	204	131.4 Å²	131.4	95%	0.953	78%	0.775	S	S	*	*			trans	62.8	158.2	177.9	-53.3	-164.3	133.1	0	0	116.7
505	A	27.8	Very low	31.8	Very low	99 Å²	99	131.9 Å²	131.9	82%	0.818	77%	0.767	S	S	*	*			cis	-134.8	169	-1.2	0	0	0	0	0	111.5
506	Y	28	Very low	32.5	Very low	230 Å²	230	134.2 Å²	134.2	90%	0.902	77%	0.769	S	S	*	*			trans	-135.4	145.4	179.9	-129.2	-83.5	0	0	0	111.5
507	A	29.5	Very low	33.3	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	76%	0.764	S	S	*	*			trans	-134.2	147.8	165.2	0	0	0	0	0	110.1
508	P	39.9	Very low	34.1	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	75%	0.748	S	S	*	*			trans	-117.5	132.7	-150.1	36.6	-24.4	0	0	0	115.7
509	Q	33.4	Very low	35	Very low	201 Å²	201	127.2 Å²	127.2	94%	0.939	73%	0.726	S	S	*	*			trans	-141.5	122	160.1	-71.6	-169.4	-6.1	0	0	113
510	G	34.3	Very low	35.2	Very low	54 Å²	54	130.3 Å²	130.3	56%	0.557	72%	0.72	S	S	*	*			trans	89.8	12.4	130.3	0	0	0	0	0	122	I512 A513	G510-I512 PolarHBondContact O-N 3.27Å; G510-A513 PolarHBondContact O-N 3.13Å
511	W	35.6	Very low	36.4	Very low	204 Å²	204	136.4 Å²	136.4	77%	0.773	72%	0.721	S	S	*	*	H	α-helix	trans	-45.8	-35	-177.3	71.8	-52.8	0	0	0	116.2	A513 F514 F515	W511-A513 PolarHBondContact O-N 3.32Å; W511-F514 PolarHBondContact O-N 3.42Å; W511-F515 PolarHBondContact O-N 3Å; W511-F515 VanDerWaalsContact O-N 3.14Å
512	I	40.5	Very low	36.9	Very low	112 Å²	112	136.1 Å²	136.1	57%	0.574	71%	0.705	S	S	*	*	H	α-helix	trans	-65.4	-32.3	-179.8	-65.6	156	0	0	0	113	G510 F515 M516	G510-I512 PolarHBondContact O-N 3.27Å; I512-F515 PolarHBondContact O-N 3.19Å; I512-M516 PolarHBondContact O-N 2.93Å
513	A	41.5	Very low	37.5	Very low	69 Å²	69	134.9 Å²	134.9	57%	0.57	69%	0.693	S	S	*	*	H	α-helix	trans	-67.8	-46.8	177.6	0	0	0	0	0	110.9	G510 W511 F515 M516 E517	G510-A513 PolarHBondContact O-N 3.13Å; W511-A513 PolarHBondContact O-N 3.32Å; A513-F515 VanDerWaalsContact C-N 3.27Å; A513-F515 PolarHBondContact O-N 3.36Å; A513-M516 PolarHBondContact O-N 3.42Å; A513-E517 PolarHBondContact O-N 2.95Å
514	F	41	Very low	38.4	Very low	176 Å²	176	137.4 Å²	137.4	77%	0.772	70%	0.695	S	S	*	*	H	α-helix	trans	-58	-40.4	176	-140.5	-90.9	0	0	0	111.6	W511 E517 Y518	W511-F514 PolarHBondContact O-N 3.42Å; F514-E517 PolarHBondContact O-N 3.23Å; F514-Y518 WeakPolarHBondContact O-CB 3.49Å; F514-Y518 PolarHBondContact O-N 2.79Å
515	F	38	Very low	39.4	Very low	138 Å²	138	131.1 Å²	131.1	61%	0.605	67%	0.673	S	S	*	*	H	α-helix	trans	-66	-41.7	179.8	-147.5	-87.9	0	0	0	112.9	W511 I512 A513 Y518 V519	W511-F515 PolarHBondContact O-N 3Å; W511-F515 VanDerWaalsContact O-N 3.14Å; I512-F515 PolarHBondContact O-N 3.19Å; A513-F515 VanDerWaalsContact C-N 3.27Å; A513-F515 PolarHBondContact O-N 3.36Å; F515-Y518 PolarHBondContact O-N 3.39Å; F515-V519 HydrophobicContact CD1-CG2 4.23Å; F515-V519 HydrophobicContact CE1-CG2 4.29Å; F515-V519 WeakPolarHBondContact O-CG2 3.26Å; F515-V519 PolarHBondContact O-N 2.93Å; F515-V519 VanDerWaalsContact O-N 3.09Å
516	M	38	Very low	40.1	Very low	138 Å²	138	129.5 Å²	129.5	68%	0.68	66%	0.655	S	S	*	*	H	α-helix	trans	-67.1	-37.4	178	-80.8	-68.4	-168.7	0	0	112.8	I512 A513 K520	I512-M516 PolarHBondContact O-N 2.93Å; A513-M516 PolarHBondContact O-N 3.42Å; M516-K520 PolarHBondContact O-N 3.49Å
517	E	44	Very low	40.9	Very low	134 Å²	134	124.4 Å²	124.4	63%	0.626	65%	0.648	S	S	*	*	H	α-helix	trans	-72.2	-38.4	177.7	-164.9	163.5	164.9	0	0	111.9	A513 F514 K520 R521	A513-E517 PolarHBondContact O-N 2.95Å; F514-E517 PolarHBondContact O-N 3.23Å; E517-K520 WeakPolarHBondContact O-CB 3.47Å; E517-K520 PolarHBondContact O-N 2.93Å; E517-R521 PolarHBondContact O-N 3.29Å; E517-R521 VanDerWaalsContact O-N 3.1Å
518	Y	45	Very low	41.5	Very low	147 Å²	147	124.3 Å²	124.3	58%	0.576	64%	0.64	S	S	*	*	H	α-helix	trans	-58	-49.1	172.2	-174.3	-94.7	0	0	0	112.2	F514 F515 K520 R521 F522	F514-Y518 WeakPolarHBondContact O-CB 3.49Å; F514-Y518 PolarHBondContact O-N 2.79Å; F515-Y518 PolarHBondContact O-N 3.39Å; Y518-K520 VanDerWaalsContact C-N 3.33Å; Y518-K520 PolarHBondContact O-N 2.8Å; Y518-R521 PolarHBondContact O-N 3.29Å; Y518-R521 VanDerWaalsContact O-N 3.14Å; Y518-F522 HydrophobicContact CE1-CD2 4.21Å; Y518-F522 WeakPolarHBondContact O-CB 3.29Å; Y518-F522 PolarHBondContact O-N 2.93Å
519	V	47.8	Very low	41.7	Very low	68 Å²	68	122.2 Å²	122.2	41%	0.412	63%	0.628	S	S	.	*	H	α-helix	trans	-62.2	-38.9	178.5	171.8	0	0	0	0	111.9	F515 R521 F522 V523	F515-V519 HydrophobicContact CD1-CG2 4.23Å; F515-V519 HydrophobicContact CE1-CG2 4.29Å; F515-V519 WeakPolarHBondContact O-CG2 3.26Å; F515-V519 PolarHBondContact O-N 2.93Å; F515-V519 VanDerWaalsContact O-N 3.09Å; V519-R521 VanDerWaalsContact C-N 3.32Å; V519-R521 PolarHBondContact O-N 3.44Å; V519-F522 PolarHBondContact O-N 3.3Å; V519-V523 HydrophobicContact CG1-CG2 4.4Å; V519-V523 WeakPolarHBondContact O-CG2 3.33Å; V519-V523 PolarHBondContact O-N 3.41Å; V519-V523 VanDerWaalsContact O-N 3.11Å
520	K	37.3	Very low	42.4	Very low	168 Å²	168	123.9 Å²	123.9	73%	0.73	63%	0.626	S	S	*	*	H	α-helix	trans	-59.2	-42.1	174.2	-116.2	-178.8	178.8	-179.2	0	112.3	M516 E517 Y518 V524	M516-K520 PolarHBondContact O-N 3.49Å; E517-K520 WeakPolarHBondContact O-CB 3.47Å; E517-K520 PolarHBondContact O-N 2.93Å; Y518-K520 VanDerWaalsContact C-N 3.33Å; Y518-K520 PolarHBondContact O-N 2.8Å; K520-V524 WeakPolarHBondContact O-CG2 3.29Å
521	R	50	Low	42.6	Very low	198 Å²	198	130.3 Å²	130.3	75%	0.747	64%	0.639	S	S	*	*	H	α-helix	trans	-70.2	-38.4	178.5	-138.3	167.3	-178.9	158.4	-3.6	111.6	E517 Y518 V519 S525	E517-R521 PolarHBondContact O-N 3.29Å; E517-R521 VanDerWaalsContact O-N 3.1Å; Y518-R521 PolarHBondContact O-N 3.29Å; Y518-R521 VanDerWaalsContact O-N 3.14Å; V519-R521 VanDerWaalsContact C-N 3.32Å; V519-R521 PolarHBondContact O-N 3.44Å; R521-S525 WeakPolarHBondContact O-CB 3.37Å; R521-S525 PolarHBondContact O-N 3.29Å
522	F	38.6	Very low	43.1	Very low	118 Å²	118	130.5 Å²	130.5	52%	0.518	64%	0.64	S	S	.	*	H	α-helix	trans	-63.1	-53.1	179.8	-159.5	-94.9	0	0	0	112.3	Y518 V519 V524 S525 C526	Y518-F522 HydrophobicContact CE1-CD2 4.21Å; Y518-F522 WeakPolarHBondContact O-CB 3.29Å; Y518-F522 PolarHBondContact O-N 2.93Å; V519-F522 PolarHBondContact O-N 3.3Å; F522-V524 VanDerWaalsContact C-N 3.3Å; F522-V524 PolarHBondContact O-N 3.47Å; F522-S525 PolarHBondContact O-N 2.91Å; F522-S525 VanDerWaalsContact O-N 3.13Å; F522-C526 PolarHBondContact O-N 3.4Å; F522-C526 PolarHBondContact O-SG 3.08Å
523	V	40.6	Very low	43.6	Very low	101 Å²	101	127.7 Å²	127.7	61%	0.612	64%	0.638	S	S	*	*	H	α-helix	trans	-63.8	-32.2	-175	176	0	0	0	0	112.9	V519	V519-V523 HydrophobicContact CG1-CG2 4.4Å; V519-V523 WeakPolarHBondContact O-CG2 3.33Å; V519-V523 PolarHBondContact O-N 3.41Å; V519-V523 VanDerWaalsContact O-N 3.11Å
524	V	46.7	Very low	44.6	Very low	120 Å²	120	128.8 Å²	128.8	73%	0.727	64%	0.64	S	S	*	*	H	α-helix	trans	-78.5	-29.3	177.6	179.4	0	0	0	0	112.1	K520 F522	K520-V524 WeakPolarHBondContact O-CG2 3.29Å; F522-V524 VanDerWaalsContact C-N 3.3Å; F522-V524 PolarHBondContact O-N 3.47Å
525	S	49	Very low	46.6	Very low	72 Å²	72	125 Å²	125	50%	0.503	63%	0.63	S	S	.	*	H	α-helix	trans	-79.9	-27.6	-176.1	-165	0	0	0	0	114.2	R521 F522 V527 P528	R521-S525 WeakPolarHBondContact O-CB 3.37Å; R521-S525 PolarHBondContact O-N 3.29Å; F522-S525 PolarHBondContact O-N 2.91Å; F522-S525 VanDerWaalsContact O-N 3.13Å; S525-V527 VanDerWaalsContact C-N 3.29Å; S525-V527 PolarHBondContact O-N 3.14Å; S525-V527 VanDerWaalsContact O-N 3.17Å; S525-P528 VanDerWaalsContact O-CD 3.3Å; S525-P528 WeakPolarHBondContact O-CD 3.43Å
526	C	42.8	Very low	49.2	Very low	64 Å²	64	118.8 Å²	118.8	43%	0.432	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-1.9	-168.8	-68.8	0	0	0	0	116.6	F522	F522-C526 PolarHBondContact O-N 3.4Å; F522-C526 PolarHBondContact O-SG 3.08Å
527	V	45.4	Very low	51.9	Low	124 Å²	124	114.3 Å²	114.3	75%	0.752	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-40.5	-174.3	-171.9	0	0	0	0	113.7	S525	S525-V527 VanDerWaalsContact C-N 3.29Å; S525-V527 PolarHBondContact O-N 3.14Å; S525-V527 VanDerWaalsContact O-N 3.17Å
528	P	42	Very low	54.4	Low	85 Å²	85	108 Å²	108	55%	0.552	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-35.2	176	-14.1	32	0	0	0	113.8	S525 W530 F531	S525-P528 VanDerWaalsContact O-CD 3.3Å; S525-P528 WeakPolarHBondContact O-CD 3.43Å; P528-W530 VanDerWaalsContact C-N 3.26Å; P528-W530 PolarHBondContact O-N 3.18Å; P528-W530 VanDerWaalsContact O-N 3.13Å; P528-F531 PolarHBondContact O-N 2.96Å
529	S	44.1	Very low	56.8	Low	76 Å²	76	104.2 Å²	104.2	53%	0.531	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	1.9	-163.5	-52.2	0	0	0	0	116.2	W532	S529-W532 CarbonylContact C-O 3.43Å; S529-W532 VanDerWaalsContact O-O 3.1Å
530	W	48.5	Very low	59	Low	236 Å²	236	101.9 Å²	101.9	89%	0.894	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-35.4	171.1	-159.5	-57.8	0	0	0	111.5	P528	P528-W530 VanDerWaalsContact C-N 3.26Å; P528-W530 PolarHBondContact O-N 3.18Å; P528-W530 VanDerWaalsContact O-N 3.13Å
531	F	37.8	Very low	61.8	Low	189 Å²	189	93.9 Å²	93.9	83%	0.829	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-23.4	-177	-105.6	-93.1	0	0	0	113.8	P528	P528-F531 PolarHBondContact O-N 2.96Å
532	W	45.9	Very low	64	Low	208 Å²	208	84.5 Å²	84.5	79%	0.788	46%	0.457	S	S	*	.	S	Bend	trans	-124.2	118.5	179.2	-52.7	84.7	0	0	0	107.7	S529	S529-W532 CarbonylContact C-O 3.43Å; S529-W532 VanDerWaalsContact O-O 3.1Å
533	G	51.7	Low	66.6	Low	53 Å²	53	80.4 Å²	80.4	55%	0.546	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-63.8	170.2	-175.8	0	0	0	0	0	113.6	V535	G533-V535 PolarHBondContact O-N 3.42Å
534	P	63.6	Low	69.1	Low	92 Å²	92	76.8 Å²	76.8	60%	0.597	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-55.6	128.8	-174.7	22.7	-33.9	0	0	0	111.8
535	V	82.6	Confident	71.3	Confident	95 Å²	95	74 Å²	74	58%	0.576	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-72.1	132.4	175.2	179.4	0	0	0	0	108.6	G533	G533-V535 PolarHBondContact O-N 3.42Å
536	V	92.5	Very high	73.4	Confident	9 Å²	9	71.5 Å²	71.5	6%	0.055	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.7	175.5	-166.6	0	0	0	0	108.9	I478 P479 L484 D540 T600 V602 S603	I478-V536 HydrophobicContact CG2-CG1 4.5Å; P479-V536 HydrophobicContact CG-CG1 3.93Å; L484-V536 HydrophobicContact CD1-CG2 3.82Å; L484-V536 HydrophobicContact CD2-CG1 4.43Å; V536-D540 HydrophobicContact CG1-CB 4.35Å; V536-T600 HydrophobicContact CG2-CG2 3.69Å; V536-V602 HydrophobicContact CB-CG2 4.44Å; V536-V602 HydrophobicContact CG1-CG2 4.34Å; V536-V602 CarbonylContact O-C 3.55Å; V536-V602 WeakPolarHBondContact O-CA 3.25Å; V536-S603 PolarHBondContact O-N 2.96Å
537	T	94.9	Very high	75.7	Confident	44 Å²	44	70.4 Å²	70.4	27%	0.27	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	160	174.2	68.8	0	0	0	0	111.8	Q539 D540 C541 S603	T537-Q539 PolarHBondContact O-N 3.15Å; T537-Q539 PolarHBondContact OG1-N 3.12Å; T537-D540 WeakPolarHBondContact CB-OD2 2.99Å; T537-D540 PolarHBondContact N-OD2 3.18Å; T537-D540 WeakPolarHBondContact O-CB 3.41Å; T537-D540 PolarHBondContact O-N 2.93Å; T537-D540 VanDerWaalsContact O-N 3.09Å; T537-D540 PolarHBondContact OG1-N 3.07Å; T537-D540 PolarHBondContact OG1-OD2 3.09Å; T537-C541 PolarHBondContact O-N 3.48Å; T537-S603 CarbonylContact C-O 3.54Å; T537-S603 WeakPolarHBondContact CA-O 3.35Å
538	L	96.1	Very high	77.7	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-58.6	-34.8	170.4	-177.9	60.2	0	0	0	111.5	L476 C541 L542 I583 L585 S603 F604 L609 Y681	L476-L538 HydrophobicContact CD1-CD1 4.08Å; L538-C541 WeakPolarHBondContact O-CB 3.4Å; L538-C541 PolarHBondContact O-N 3.14Å; L538-L542 HydrophobicContact CG-CD1 4.37Å; L538-L542 WeakPolarHBondContact O-CG 3.16Å; L538-L542 PolarHBondContact O-N 3.34Å; L538-I583 HydrophobicContact CD1-CD1 4.3Å; L538-I583 HydrophobicContact CD1-CG2 4.17Å; L538-I583 HydrophobicContact CD2-CD1 4.17Å; L538-L585 HydrophobicContact CD1-CD2 4.26Å; L538-S603 PolarHBondContact N-O 2.98Å; L538-F604 HydrophobicContact CB-CB 4.05Å; L538-F604 HydrophobicContact CD2-CB 3.95Å; L538-L609 HydrophobicContact CD2-CD1 4.38Å; L538-L609 HydrophobicContact CD2-CD2 3.91Å; L538-Y681 HydrophobicContact CD2-CE2 3.64Å
539	Q	94.7	Very high	79.9	Confident	69 Å²	69	74.3 Å²	74.3	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-35.5	173.9	-70	81.4	-8.2	0	0	112.3	T537 L542 A543 L609	T537-Q539 PolarHBondContact O-N 3.15Å; T537-Q539 PolarHBondContact OG1-N 3.12Å; Q539-L542 PolarHBondContact O-N 3.21Å; Q539-A543 VanDerWaalsContact O-CB 3.27Å; Q539-A543 WeakPolarHBondContact O-CB 3.42Å; Q539-A543 PolarHBondContact O-N 3.43Å; Q539-L609 HydrophobicContact CG-CD1 4.49Å
540	D	94.4	Very high	82.2	Confident	18 Å²	18	75.9 Å²	75.9	10%	0.096	38%	0.376	C	S	.	.	H	α-helix	trans	-66.2	-40.3	172	-61.9	-61.9	0	0	0	111.7	P479 L484 H488 V536 T537 A543 A544	P479-D540 HydrophobicContact CG-CB 4.32Å; L484-D540 HydrophobicContact CD2-CB 3.7Å; H488-D540 IonicContact CD2-OD1 3.97Å; H488-D540 IonicContact CE1-OD1 2.65Å; H488-D540 IonicContact NE2-OD1 3.68Å; H488-D540 PolarHBondContact NE2-OD1 3.08Å; V536-D540 HydrophobicContact CG1-CB 4.35Å; T537-D540 WeakPolarHBondContact CB-OD2 2.99Å; T537-D540 PolarHBondContact N-OD2 3.18Å; T537-D540 WeakPolarHBondContact O-CB 3.41Å; T537-D540 PolarHBondContact O-N 2.93Å; T537-D540 VanDerWaalsContact O-N 3.09Å; T537-D540 PolarHBondContact OG1-N 3.07Å; T537-D540 PolarHBondContact OG1-OD2 3.09Å; D540-A543 PolarHBondContact O-N 3.43Å; D540-A544 WeakPolarHBondContact O-CB 3.44Å; D540-A544 PolarHBondContact O-N 3.22Å
541	C	96.4	Very high	84.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-39	175.6	-62	0	0	0	0	112	L476 T537 L538 F545 L585	L476-C541 HydrophobicContact CB-CB 4.2Å; L476-C541 HydrophobicContact CD1-CB 3.9Å; T537-C541 PolarHBondContact O-N 3.48Å; L538-C541 WeakPolarHBondContact O-CB 3.4Å; L538-C541 PolarHBondContact O-N 3.14Å; C541-F545 PolarHBondContact O-N 3.11Å; C541-F545 VanDerWaalsContact O-N 3.11Å; C541-L585 HydrophobicContact CB-CD2 4.32Å
542	L	95.5	Very high	86.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-44.1	172.6	-73	162.9	0	0	0	111.3	L474 L476 L538 Q539 A544 F545 F546 L611 F614	L474-L542 HydrophobicContact CD1-CD2 4.27Å; L476-L542 HydrophobicContact CD1-CD2 3.8Å; L476-L542 HydrophobicContact CD1-CG 3.84Å; L476-L542 HydrophobicContact CD2-CD2 3.97Å; L538-L542 HydrophobicContact CG-CD1 4.37Å; L538-L542 WeakPolarHBondContact O-CG 3.16Å; L538-L542 PolarHBondContact O-N 3.34Å; Q539-L542 PolarHBondContact O-N 3.21Å; L542-A544 VanDerWaalsContact C-N 3.31Å; L542-A544 PolarHBondContact O-N 3.32Å; L542-F545 PolarHBondContact O-N 3.41Å; L542-F545 VanDerWaalsContact O-N 3.14Å; L542-F546 HydrophobicContact CD2-CE2 4.16Å; L542-F546 VanDerWaalsContact O-CD2 3.29Å; L542-F546 WeakPolarHBondContact O-CD2 3.39Å; L542-F546 PolarHBondContact O-N 2.83Å; L542-L611 HydrophobicContact CD1-CD2 3.73Å; L542-F614 HydrophobicContact CB-CD2 4.28Å; L542-F614 HydrophobicContact CB-CE1 4.03Å; L542-F614 HydrophobicContact CB-CE2 3.65Å; L542-F614 HydrophobicContact CB-CZ 3.5Å; L542-F614 HydrophobicContact CD1-CD2 4.45Å; L542-F614 HydrophobicContact CD1-CE2 3.95Å; L542-F614 HydrophobicContact CG-CE2 4.35Å
543	A	94.1	Very high	88.8	Confident	32 Å²	32	53.1 Å²	53.1	26%	0.264	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-36	176.1	0	0	0	0	0	112.6	L487 Q539 D540 A547 F614	L487-A543 HydrophobicContact CD2-CB 4.23Å; Q539-A543 VanDerWaalsContact O-CB 3.27Å; Q539-A543 WeakPolarHBondContact O-CB 3.42Å; Q539-A543 PolarHBondContact O-N 3.43Å; D540-A543 PolarHBondContact O-N 3.43Å; A543-A547 WeakPolarHBondContact O-CB 3.46Å; A543-A547 PolarHBondContact O-N 2.8Å; A543-A547 VanDerWaalsContact O-N 3.08Å; A543-F614 HydrophobicContact CB-CE1 4.38Å
544	A	92.8	Very high	90.4	Very high	26 Å²	26	58.9 Å²	58.9	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-38.3	172.2	0	0	0	0	0	112.5	P477 P479 L487 D540 L542 A547	P477-A544 HydrophobicContact CG-CB 4.08Å; P479-A544 HydrophobicContact CB-CB 4.38Å; L487-A544 HydrophobicContact CD1-CB 4.02Å; D540-A544 WeakPolarHBondContact O-CB 3.44Å; D540-A544 PolarHBondContact O-N 3.22Å; L542-A544 VanDerWaalsContact C-N 3.31Å; L542-A544 PolarHBondContact O-N 3.32Å; A544-A547 WeakPolarHBondContact O-CB 3.13Å
545	F	93.1	Very high	91.6	Very high	62 Å²	62	59.9 Å²	59.9	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-72.6	-39.8	178.3	-178.2	-88.9	0	0	0	113.1	I452 L474 L476 C541 L542 A547	I452-F545 HydrophobicContact CD1-CE1 4.22Å; I452-F545 HydrophobicContact CD1-CZ 4.46Å; L474-F545 HydrophobicContact CD2-CE1 4.19Å; L474-F545 HydrophobicContact CD2-CZ 4.23Å; L476-F545 HydrophobicContact CD2-CB 3.57Å; L476-F545 HydrophobicContact CD2-CD1 4.25Å; L476-F545 HydrophobicContact CD2-CD2 3.87Å; L476-F545 HydrophobicContact CD2-CG 3.64Å; C541-F545 PolarHBondContact O-N 3.11Å; C541-F545 VanDerWaalsContact O-N 3.11Å; L542-F545 PolarHBondContact O-N 3.41Å; L542-F545 VanDerWaalsContact O-N 3.14Å; F545-A547 VanDerWaalsContact C-N 3.32Å
546	F	93	Very high	91.9	Very high	19 Å²	19	58.7 Å²	58.7	8%	0.083	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	13.7	178	-66.8	-70.6	0	0	0	113.7	L474 L542 C572 V574 F614	L474-F546 HydrophobicContact CD1-CE2 4.48Å; L474-F546 HydrophobicContact CD1-CZ 4.39Å; L542-F546 HydrophobicContact CD2-CE2 4.16Å; L542-F546 VanDerWaalsContact O-CD2 3.29Å; L542-F546 WeakPolarHBondContact O-CD2 3.39Å; L542-F546 PolarHBondContact O-N 2.83Å; F546-C572 HydrophobicContact CD1-CB 4.47Å; F546-C572 VanDerWaalsContact CD1-SG 3.59Å; F546-V574 HydrophobicContact CE1-CG2 3.73Å; F546-V574 HydrophobicContact CE2-CG2 4.34Å; F546-V574 HydrophobicContact CZ-CG2 3.4Å; F546-V574 VanDerWaalsContact CZ-CG2 3.4Å; F546-F614 HydrophobicContact CB-CD1 3.89Å; F546-F614 HydrophobicContact CB-CE1 4.46Å; F546-F614 HydrophobicContact CD2-CB 3.85Å; F546-F614 AromaticContact CD2-CD1 3.41Å; F546-F614 HydrophobicContact CD2-CD1 3.41Å; F546-F614 VanDerWaalsContact CD2-CD1 3.41Å; F546-F614 HydrophobicContact CD2-CE1 4.16Å; F546-F614 AromaticContact CD2-CG 3.71Å; F546-F614 HydrophobicContact CD2-CG 3.71Å; F546-F614 HydrophobicContact CE2-CB 3.94Å; F546-F614 HydrophobicContact CE2-CD1 4.25Å; F546-F614 HydrophobicContact CE2-CG 4.1Å; F546-F614 HydrophobicContact CG-CB 4.35Å; F546-F614 AromaticContact CG-CD1 3.89Å; F546-F614 HydrophobicContact CG-CD1 3.89Å; F546-F614 HydrophobicContact CG-CG 4.43Å
547	A	90.6	Very high	91.8	Very high	40 Å²	40	60 Å²	60	33%	0.331	31%	0.314	S	S	.	.	S	Bend	trans	-65.4	164.4	172.6	0	0	0	0	0	111.7	A543 A544 F545	A543-A547 WeakPolarHBondContact O-CB 3.46Å; A543-A547 PolarHBondContact O-N 2.8Å; A543-A547 VanDerWaalsContact O-N 3.08Å; A544-A547 WeakPolarHBondContact O-CB 3.13Å; F545-A547 VanDerWaalsContact C-N 3.32Å
548	R	87.6	Confident	91.7	Very high	206 Å²	206	60.3 Å²	60.3	78%	0.777	32%	0.318	S	S	*	.			trans	-77.2	127.2	168.7	-69.1	-175.7	173.6	158	-1.3	109.3	V569 K570 F571	R548-V569 HydrophobicContact CB-CG1 4.05Å; R548-V569 HydrophobicContact CG-CG1 4.37Å; R548-K570 WeakPolarHBondContact CA-O 3.13Å; R548-F571 HydrophobicContact CG-CB 4.2Å
549	D	88.9	Confident	91.4	Very high	86 Å²	86	60.3 Å²	60.3	46%	0.46	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.2	178.4	-178.3	26.3	0	0	0	110.7	V569 K570	D549-V569 CarbonylContact O-C 2.9Å; D549-V569 WeakPolarHBondContact O-CA 3.25Å; D549-K570 HydrophobicContact CB-CB 4.35Å; D549-K570 PolarHBondContact N-O 2.8Å; D549-K570 PolarHBondContact O-N 2.96Å
550	E	90.6	Very high	91.2	Very high	109 Å²	109	61.3 Å²	61.3	51%	0.509	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	94.6	-174.8	-69.8	-155.7	116.8	0	0	111	K552	E550-K552 HydrophobicContact CB-CD 4.17Å; E550-K552 HydrophobicContact CB-CG 4.42Å; E550-K552 PolarHBondContact O-N 2.86Å; E550-K552 WeakPolarHBondContact OE1-CE 3.26Å; E550-K552 IonicContact OE1-NZ 3.71Å; E550-K552 PolarHBondContact OE1-NZ 3.22Å; E550-K552 WeakPolarHBondContact OE2-CE 3.34Å; E550-K552 IonicContact OE2-NZ 3.58Å; E550-K552 PolarHBondContact OE2-NZ 3.2Å
551	L	91	Very high	91.1	Very high	22 Å²	22	66.9 Å²	66.9	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	96.7	177.7	-58.6	-170.5	0	0	0	109.8	V456 N555 Y557 N567 G568 K570	V456-L551 HydrophobicContact CG1-CD1 3.77Å; V456-L551 HydrophobicContact CG2-CD1 4.47Å; L551-N555 WeakPolarHBondContact CB-O 3.25Å; L551-Y557 HydrophobicContact CD1-CD1 4.29Å; L551-Y557 HydrophobicContact CD1-CG 4.27Å; L551-N567 CarbonylContact O-C 3.44Å; L551-N567 WeakPolarHBondContact O-CA 3.01Å; L551-G568 PolarHBondContact N-O 3.22Å; L551-G568 PolarHBondContact O-N 2.96Å; L551-K570 HydrophobicContact CD1-CB 4.11Å; L551-K570 HydrophobicContact CD2-CB 4.44Å; L551-K570 HydrophobicContact CG-CB 4.17Å
552	K	90.7	Very high	90.8	Very high	87 Å²	87	68.2 Å²	68.2	38%	0.378	36%	0.355	S	S	.	.			trans	-141.6	157.3	-175.1	-66.3	176.4	-177.4	169.6	0	110.9	E550 D554 N555 N567	E550-K552 HydrophobicContact CB-CD 4.17Å; E550-K552 HydrophobicContact CB-CG 4.42Å; E550-K552 PolarHBondContact O-N 2.86Å; E550-K552 WeakPolarHBondContact OE1-CE 3.26Å; E550-K552 IonicContact OE1-NZ 3.71Å; E550-K552 PolarHBondContact OE1-NZ 3.22Å; E550-K552 WeakPolarHBondContact OE2-CE 3.34Å; E550-K552 IonicContact OE2-NZ 3.58Å; E550-K552 PolarHBondContact OE2-NZ 3.2Å; K552-D554 PolarHBondContact O-N 3.1Å; K552-N555 PolarHBondContact O-N 2.86Å; K552-N555 VanDerWaalsContact O-N 3.12Å; K552-N567 HydrophobicContact CG-CB 4.45Å
553	G	90.1	Very high	90.7	Very high	45 Å²	45	76 Å²	76	46%	0.464	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	61	-129.4	179.2	0	0	0	0	0	111.4	N555 M556	G553-N555 PolarHBondContact O-N 3.26Å; G553-M556 WeakPolarHBondContact O-CB 3.46Å; G553-M556 WeakPolarHBondContact O-CE 3.41Å; G553-M556 VanDerWaalsContact O-CG 3.26Å; G553-M556 WeakPolarHBondContact O-CG 3.43Å; G553-M556 PolarHBondContact O-N 2.82Å; G553-M556 VanDerWaalsContact O-N 3.1Å
554	D	86.2	Confident	90.6	Very high	175 Å²	175	80.9 Å²	80.9	94%	0.936	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-65.2	-19.9	179	-52	-44.3	0	0	0	112.8	K552 M556	K552-D554 PolarHBondContact O-N 3.1Å; D554-M556 VanDerWaalsContact C-N 3.33Å; D554-M556 PolarHBondContact O-N 2.88Å
555	N	87.7	Confident	90.7	Very high	113 Å²	113	84.4 Å²	84.4	60%	0.604	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-88	12.4	175.2	-64.9	-21.5	0	0	0	113.7	L551 K552 G553	L551-N555 WeakPolarHBondContact CB-O 3.25Å; K552-N555 PolarHBondContact O-N 2.86Å; K552-N555 VanDerWaalsContact O-N 3.12Å; G553-N555 PolarHBondContact O-N 3.26Å
556	M	89.4	Confident	90.7	Very high	69 Å²	69	84.7 Å²	84.7	34%	0.34	42%	0.418	S	S	.	.			trans	-61.6	143.2	174.7	-81.9	-170.9	-64.9	0	0	112.3	G553 D554 L565 R566 N567	G553-M556 WeakPolarHBondContact O-CB 3.46Å; G553-M556 WeakPolarHBondContact O-CE 3.41Å; G553-M556 VanDerWaalsContact O-CG 3.26Å; G553-M556 WeakPolarHBondContact O-CG 3.43Å; G553-M556 PolarHBondContact O-N 2.82Å; G553-M556 VanDerWaalsContact O-N 3.1Å; D554-M556 VanDerWaalsContact C-N 3.33Å; D554-M556 PolarHBondContact O-N 2.88Å; M556-L565 HydrophobicContact CB-CB 4.13Å; M556-L565 HydrophobicContact CE-CB 4.35Å; M556-R566 WeakPolarHBondContact CB-O 3.45Å; M556-R566 WeakPolarHBondContact CG-O 3.43Å; M556-N567 WeakPolarHBondContact CG-OD1 3.35Å
557	Y	89.9	Confident	90.8	Very high	36 Å²	36	87 Å²	87	14%	0.141	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.2	-179.5	88.1	-69.1	0	0	0	112.9	V456 C458 L551 C559 L565 R566	V456-Y557 HydrophobicContact CB-CD2 4.49Å; V456-Y557 HydrophobicContact CB-CE2 4.16Å; V456-Y557 HydrophobicContact CG1-CD1 3.82Å; V456-Y557 HydrophobicContact CG1-CD2 3.87Å; V456-Y557 HydrophobicContact CG1-CE1 3.64Å; V456-Y557 HydrophobicContact CG1-CE2 3.66Å; V456-Y557 HydrophobicContact CG1-CG 3.93Å; C458-Y557 WeakPolarHBondContact CA-OH 3.22Å; C458-Y557 WeakPolarHBondContact CB-OH 3.26Å; C458-Y557 PolarHBondContact N-OH 3.03Å; C458-Y557 VanDerWaalsContact N-OH 3.17Å; L551-Y557 HydrophobicContact CD1-CD1 4.29Å; L551-Y557 HydrophobicContact CD1-CG 4.27Å; Y557-C559 HydrophobicContact CE1-CB 4.45Å; Y557-C559 HydrophobicContact CE2-CB 4.22Å; Y557-C559 PolarHBondContact O-N 2.92Å; Y557-L565 CarbonylContact O-C 3.5Å; Y557-L565 WeakPolarHBondContact O-CA 3.25Å; Y557-R566 WeakPolarHBondContact CD1-O 3.1Å; Y557-R566 HydrophobicContact CE1-CB 4.32Å; Y557-R566 PolarHBondContact N-O 3.43Å; Y557-R566 VanDerWaalsContact N-O 3.12Å; Y557-R566 PolarHBondContact O-N 3.42Å
558	S	92.1	Very high	90.9	Very high	52 Å²	52	85 Å²	85	36%	0.364	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	105.7	175	-168.1	0	0	0	0	110.6	E560	S558-E560 PolarHBondContact O-N 2.89Å
559	C	91.7	Very high	91.2	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	115	178.5	171.5	0	0	0	0	110.7	C461 Y557 K561 C562 K563 K564 R566	C461-C559 VanDerWaalsContact SG-SG 3.68Å; Y557-C559 HydrophobicContact CE1-CB 4.45Å; Y557-C559 HydrophobicContact CE2-CB 4.22Å; Y557-C559 PolarHBondContact O-N 2.92Å; C559-K561 PolarHBondContact O-N 2.87Å; C559-K561 VanDerWaalsContact O-N 3.15Å; C559-C562 HydrophobicContact CB-CB 4.04Å; C559-C562 CarbonylContact O-C 3.52Å; C559-C562 PolarHBondContact O-N 3.25Å; C559-K563 PolarHBondContact O-N 3.08Å; C559-K564 PolarHBondContact N-O 2.87Å; C559-R566 HydrophobicContact CB-CB 4.05Å; C559-R566 HydrophobicContact CB-CG 3.73Å
560	E	89.4	Confident	91.4	Very high	90 Å²	90	75.4 Å²	75.4	42%	0.421	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-38.1	179.5	-65.4	167.9	-110.1	0	0	114.5	R463 S465 S558 K563	R463-E560 IonicContact CZ-OE1 2.7Å; R463-E560 IonicContact CZ-OE2 2.98Å; R463-E560 VanDerWaalsContact NH1-CB 3.3Å; R463-E560 IonicContact NH1-OE1 3.96Å; R463-E560 IonicContact NH1-OE2 3.76Å; R463-E560 PolarHBondContact NH1-OE2 2.95Å; R463-E560 IonicContact NH2-OE1 3.73Å; R463-E560 PolarHBondContact NH2-OE1 2.81Å; R463-E560 VanDerWaalsContact NH2-OE1 3.1Å; R463-E560 IonicContact NH2-OE2 3.68Å; R463-E560 PolarHBondContact NH2-OE2 3.14Å; S465-E560 PolarHBondContact OG-OE1 2.62Å; S558-E560 PolarHBondContact O-N 2.89Å; E560-K563 VanDerWaalsContact O-CD 3.23Å; E560-K563 WeakPolarHBondContact O-CD 3.23Å; E560-K563 WeakPolarHBondContact O-CE 3.41Å
561	K	91.8	Very high	91.4	Very high	134 Å²	134	73.6 Å²	73.6	58%	0.583	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-27	-179.5	179.4	176.3	169.9	-168.4	0	112.3	C461 R463 C559	C461-K561 HydrophobicContact CB-CD 4.13Å; C461-K561 PolarHBondContact O-NZ 3.16Å; R463-K561 HydrophobicContact CB-CB 4.39Å; R463-K561 HydrophobicContact CB-CD 3.89Å; C559-K561 PolarHBondContact O-N 2.87Å; C559-K561 VanDerWaalsContact O-N 3.15Å
562	C	91.2	Very high	91.5	Very high	28 Å²	28	73.3 Å²	73.3	19%	0.189	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.7	174.9	-66.2	0	0	0	0	113.8	C461 C559 K564 R566	C461-C562 VanDerWaalsContact SG-SG 3.61Å; C559-C562 HydrophobicContact CB-CB 4.04Å; C559-C562 CarbonylContact O-C 3.52Å; C559-C562 PolarHBondContact O-N 3.25Å; C562-K564 PolarHBondContact O-N 2.97Å; C562-K564 VanDerWaalsContact O-N 3.13Å; C562-R566 HydrophobicContact CB-CG 3.96Å; C562-R566 PolarHBondContact SG-NE 2.7Å
563	K	92.6	Very high	91.6	Very high	164 Å²	164	72.9 Å²	72.9	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	32.6	-171.9	-59.7	-67.5	-177.3	179.9	0	113.6	C559 E560	C559-K563 PolarHBondContact O-N 3.08Å; E560-K563 VanDerWaalsContact O-CD 3.23Å; E560-K563 WeakPolarHBondContact O-CD 3.23Å; E560-K563 WeakPolarHBondContact O-CE 3.41Å
564	K	92.9	Very high	91.8	Very high	136 Å²	136	70.8 Å²	70.8	59%	0.591	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.3	159.6	-175.8	-66.9	-172.7	-178.2	-174.1	0	110.2	C559 C562	C559-K564 PolarHBondContact N-O 2.87Å; C562-K564 PolarHBondContact O-N 2.97Å; C562-K564 VanDerWaalsContact O-N 3.13Å
565	L	93.9	Very high	92.2	Very high	99 Å²	99	64.5 Å²	64.5	52%	0.518	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	139.5	168.1	-63.6	-177.9	0	0	0	111	M556 Y557	M556-L565 HydrophobicContact CB-CB 4.13Å; M556-L565 HydrophobicContact CE-CB 4.35Å; Y557-L565 CarbonylContact O-C 3.5Å; Y557-L565 WeakPolarHBondContact O-CA 3.25Å
566	R	94.3	Very high	92.4	Very high	68 Å²	68	63.4 Å²	63.4	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152	-176.4	-70.8	-64.9	176.7	-108.7	15.9	111.8	M556 Y557 C559 C562	M556-R566 WeakPolarHBondContact CB-O 3.45Å; M556-R566 WeakPolarHBondContact CG-O 3.43Å; Y557-R566 WeakPolarHBondContact CD1-O 3.1Å; Y557-R566 HydrophobicContact CE1-CB 4.32Å; Y557-R566 PolarHBondContact N-O 3.43Å; Y557-R566 VanDerWaalsContact N-O 3.12Å; Y557-R566 PolarHBondContact O-N 3.42Å; C559-R566 HydrophobicContact CB-CB 4.05Å; C559-R566 HydrophobicContact CB-CG 3.73Å; C562-R566 HydrophobicContact CB-CG 3.96Å; C562-R566 PolarHBondContact SG-NE 2.7Å
567	N	94.9	Very high	92.7	Very high	67 Å²	67	60.2 Å²	60.2	36%	0.358	28%	0.282	S	S	.	.			trans	-65.1	140.1	162.1	-68.6	-15.9	0	0	0	109.5	L459 L551 K552 M556	L459-N567 HydrophobicContact CB-CB 4.44Å; L459-N567 HydrophobicContact CD1-CB 4.37Å; L459-N567 PolarHBondContact N-O 3.48Å; L459-N567 VanDerWaalsContact N-O 3.1Å; L551-N567 CarbonylContact O-C 3.44Å; L551-N567 WeakPolarHBondContact O-CA 3.01Å; K552-N567 HydrophobicContact CG-CB 4.45Å; M556-N567 WeakPolarHBondContact CG-OD1 3.35Å
568	G	93	Very high	93	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	171.6	179.1	0	0	0	0	0	112.5	Q457 L551	Q457-G568 WeakPolarHBondContact O-CA 3.4Å; L551-G568 PolarHBondContact N-O 3.22Å; L551-G568 PolarHBondContact O-N 2.96Å
569	V	93.6	Very high	93.2	Very high	24 Å²	24	56.4 Å²	56.4	15%	0.145	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.1	165.7	178.6	0	0	0	0	107.7	V456 Q457 L459 R548 D549	V456-V569 WeakPolarHBondContact CA-O 3.31Å; Q457-V569 PolarHBondContact N-O 2.87Å; Q457-V569 PolarHBondContact O-N 3.22Å; Q457-V569 VanDerWaalsContact O-N 3.09Å; L459-V569 HydrophobicContact CD1-CG2 4.06Å; L459-V569 HydrophobicContact CD2-CG2 4.07Å; L459-V569 HydrophobicContact CG-CG2 4.29Å; R548-V569 HydrophobicContact CB-CG1 4.05Å; R548-V569 HydrophobicContact CG-CG1 4.37Å; D549-V569 CarbonylContact O-C 2.9Å; D549-V569 WeakPolarHBondContact O-CA 3.25Å
570	K	92.7	Very high	93.5	Very high	65 Å²	65	56.5 Å²	56.5	28%	0.283	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.2	170	179.5	170.5	179.7	168.3	0	109.2	S454 S455 V456 R548 D549 L551	S454-K570 VanDerWaalsContact OG-CE 3.23Å; S454-K570 WeakPolarHBondContact OG-CE 3.19Å; S454-K570 PolarHBondContact OG-NZ 2.77Å; S455-K570 CarbonylContact O-C 3.52Å; S455-K570 WeakPolarHBondContact O-CA 3.31Å; V456-K570 HydrophobicContact CG2-CB 4.18Å; V456-K570 HydrophobicContact CG2-CG 4.19Å; R548-K570 WeakPolarHBondContact CA-O 3.13Å; D549-K570 HydrophobicContact CB-CB 4.35Å; D549-K570 PolarHBondContact N-O 2.8Å; D549-K570 PolarHBondContact O-N 2.96Å; L551-K570 HydrophobicContact CD1-CB 4.11Å; L551-K570 HydrophobicContact CD2-CB 4.44Å; L551-K570 HydrophobicContact CG-CB 4.17Å
571	F	90.9	Very high	93.9	Very high	71 Å²	71	52.2 Å²	52.2	31%	0.311	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.8	169.1	56.9	-86	0	0	0	109.4	S455 R548	S455-F571 VanDerWaalsContact CB-CE2 3.45Å; S455-F571 PolarHBondContact N-O 2.89Å; S455-F571 PolarHBondContact O-N 2.92Å; R548-F571 HydrophobicContact CG-CB 4.2Å
572	C	92.8	Very high	94.2	Very high	16 Å²	16	45.9 Å²	45.9	11%	0.108	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.6	-178	52.8	0	0	0	0	112.5	I452 I453 F546	I452-C572 HydrophobicContact CG2-CB 3.78Å; I453-C572 CarbonylContact O-C 3.5Å; I453-C572 WeakPolarHBondContact O-CA 3.42Å; I453-C572 WeakPolarHBondContact O-CB 3.42Å; F546-C572 HydrophobicContact CD1-CB 4.47Å; F546-C572 VanDerWaalsContact CD1-SG 3.59Å
573	K	93.3	Very high	94.5	Very high	79 Å²	79	44.6 Å²	44.6	34%	0.343	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.7	172.6	-74.3	-61.1	-173.6	-174.5	0	109.4	I452 I453 P613 F614 A616	I452-K573 CarbonylContact C-O 3.55Å; I452-K573 WeakPolarHBondContact CA-O 3.28Å; I453-K573 PolarHBondContact N-O 3.4Å; I453-K573 PolarHBondContact O-N 3.04Å; K573-P613 PolarHBondContact NZ-O 3.22Å; K573-F614 WeakPolarHBondContact CD-O 3.49Å; K573-A616 HydrophobicContact CB-CB 4Å
574	V	94.3	Very high	94.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.9	176.8	-176.9	0	0	0	0	109.5	I452 F471 F546 K576 F577 F614 L615 A616	I452-V574 HydrophobicContact CG1-CG2 4.2Å; F471-V574 HydrophobicContact CE1-CG1 4.28Å; F471-V574 HydrophobicContact CZ-CG1 4.41Å; F546-V574 HydrophobicContact CE1-CG2 3.73Å; F546-V574 HydrophobicContact CE2-CG2 4.34Å; F546-V574 HydrophobicContact CZ-CG2 3.4Å; F546-V574 VanDerWaalsContact CZ-CG2 3.4Å; V574-K576 VanDerWaalsContact CG1-C 3.41Å; V574-K576 VanDerWaalsContact CG1-O 3.25Å; V574-K576 WeakPolarHBondContact CG1-O 3.07Å; V574-F577 HydrophobicContact CB-CD1 4.35Å; V574-F577 HydrophobicContact CB-CD2 4.22Å; V574-F577 HydrophobicContact CB-CE1 3.89Å; V574-F577 HydrophobicContact CB-CE2 3.76Å; V574-F577 HydrophobicContact CB-CG 4.49Å; V574-F577 HydrophobicContact CB-CZ 3.56Å; V574-F577 HydrophobicContact CG1-CB 4.47Å; V574-F577 HydrophobicContact CG1-CD1 3.73Å; V574-F577 HydrophobicContact CG1-CD2 3.74Å; V574-F577 HydrophobicContact CG1-CE1 3.8Å; V574-F577 HydrophobicContact CG1-CE2 3.81Å; V574-F577 HydrophobicContact CG1-CG 3.69Å; V574-F577 HydrophobicContact CG1-CZ 3.82Å; V574-F577 HydrophobicContact CG2-CD1 4.35Å; V574-F577 HydrophobicContact CG2-CE1 3.63Å; V574-F577 HydrophobicContact CG2-CE2 4.33Å; V574-F577 HydrophobicContact CG2-CZ 3.61Å; V574-F614 PolarHBondContact N-O 3.23Å; V574-L615 CarbonylContact O-C 3.5Å; V574-L615 WeakPolarHBondContact O-CA 3.35Å; V574-A616 PolarHBondContact O-N 3.46Å
575	Q	93.5	Very high	95	Very high	44 Å²	44	31.2 Å²	31.2	21%	0.206	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-31.4	174.9	-177.2	59.7	13.8	0	0	111.9	T451 I453 A616 D618 S619	T451-Q575 PolarHBondContact O-N 2.87Å; I453-Q575 HydrophobicContact CD1-CB 3.89Å; I453-Q575 HydrophobicContact CD1-CG 4.06Å; I453-Q575 VanDerWaalsContact CD1-OE1 3.26Å; I453-Q575 HydrophobicContact CG1-CB 3.99Å; I453-Q575 HydrophobicContact CG1-CG 4.5Å; Q575-A616 VanDerWaalsContact OE1-CB 3.24Å; Q575-D618 PolarHBondContact NE2-O 2.98Å; Q575-S619 WeakPolarHBondContact O-CB 3.24Å; Q575-S619 PolarHBondContact O-OG 3.34Å
576	K	93.2	Very high	95.1	Very high	89 Å²	89	31 Å²	31	39%	0.387	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	125.6	174.3	-176.9	-158.5	168.1	-144.5	0	109.4	D449 G450 T451 V574	D449-K576 PolarHBondContact O-NZ 3.03Å; G450-K576 CarbonylContact C-O 3.55Å; G450-K576 VanDerWaalsContact CA-O 3.26Å; G450-K576 WeakPolarHBondContact CA-O 3.22Å; T451-K576 PolarHBondContact N-O 3.36Å; T451-K576 PolarHBondContact O-N 2.88Å; V574-K576 VanDerWaalsContact CG1-C 3.41Å; V574-K576 VanDerWaalsContact CG1-O 3.25Å; V574-K576 WeakPolarHBondContact CG1-O 3.07Å
577	F	94.8	Very high	95.2	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	13%	0.13	C	C	.	.			trans	-86.2	146.4	167	-69.8	-83.9	0	0	0	111.4	V574 L581 L611 F614 L615 V624 Y626 K683	V574-F577 HydrophobicContact CB-CD1 4.35Å; V574-F577 HydrophobicContact CB-CD2 4.22Å; V574-F577 HydrophobicContact CB-CE1 3.89Å; V574-F577 HydrophobicContact CB-CE2 3.76Å; V574-F577 HydrophobicContact CB-CG 4.49Å; V574-F577 HydrophobicContact CB-CZ 3.56Å; V574-F577 HydrophobicContact CG1-CB 4.47Å; V574-F577 HydrophobicContact CG1-CD1 3.73Å; V574-F577 HydrophobicContact CG1-CD2 3.74Å; V574-F577 HydrophobicContact CG1-CE1 3.8Å; V574-F577 HydrophobicContact CG1-CE2 3.81Å; V574-F577 HydrophobicContact CG1-CG 3.69Å; V574-F577 HydrophobicContact CG1-CZ 3.82Å; V574-F577 HydrophobicContact CG2-CD1 4.35Å; V574-F577 HydrophobicContact CG2-CE1 3.63Å; V574-F577 HydrophobicContact CG2-CE2 4.33Å; V574-F577 HydrophobicContact CG2-CZ 3.61Å; F577-L581 HydrophobicContact CD1-CD2 4.48Å; F577-L611 HydrophobicContact CD1-CD1 3.76Å; F577-L611 HydrophobicContact CE1-CB 4.03Å; F577-L611 HydrophobicContact CE1-CD1 3.6Å; F577-L611 HydrophobicContact CE1-CG 4.36Å; F577-L611 HydrophobicContact CE2-CB 3.93Å; F577-L611 HydrophobicContact CG-CD1 4.38Å; F577-L611 HydrophobicContact CZ-CB 3.62Å; F577-L611 HydrophobicContact CZ-CD1 4.1Å; F577-L611 HydrophobicContact CZ-CG 4.44Å; F577-F614 HydrophobicContact CZ-CB 4.19Å; F577-L615 HydrophobicContact CD2-CD1 3.68Å; F577-L615 HydrophobicContact CE2-CB 4.35Å; F577-L615 HydrophobicContact CE2-CD1 3.59Å; F577-V624 HydrophobicContact CD2-CG1 4.28Å; F577-Y626 HydrophobicContact CB-CE2 4.38Å; F577-Y626 WeakPolarHBondContact CB-OH 3.38Å; F577-K683 PolarHBondContact O-NZ 3.44Å
578	P	95.8	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.12	C	C	.	.			trans	-71.5	169.3	177.9	32.4	-37.3	0	0	0	112.6	I447 F448 I580 L581 Y626 K683	I447-P578 WeakPolarHBondContact O-CB 3.36Å; F448-P578 VanDerWaalsContact C-CB 3.46Å; F448-P578 VanDerWaalsContact O-CB 3.25Å; F448-P578 WeakPolarHBondContact O-CB 3.43Å; P578-I580 WeakPolarHBondContact CG-O 3.27Å; P578-L581 HydrophobicContact CG-CB 4.08Å; P578-L581 HydrophobicContact CG-CD1 3.98Å; P578-Y626 PolarHBondContact O-OH 3.16Å; P578-K683 WeakPolarHBondContact O-CE 3.47Å
579	E	96.2	Very high	94.5	Very high	9 Å²	9	33 Å²	33	4%	0.042	15%	0.145	C	C	.	.	S	Bend	trans	-68.8	-43.5	174.1	-176	62.4	-147.5	0	0	111	P177 I447 K683 F722 A723	P177-E579 HydrophobicContact CG-CG 4.29Å; I447-E579 PolarHBondContact O-N 2.75Å; E579-K683 PolarHBondContact O-N 3.03Å; E579-F722 HydrophobicContact CB-CD2 3.78Å; E579-F722 HydrophobicContact CB-CE2 3.77Å; E579-F722 HydrophobicContact CB-CG 4.43Å; E579-F722 HydrophobicContact CB-CZ 4.41Å; E579-F722 VanDerWaalsContact CD-CA 3.49Å; E579-F722 HydrophobicContact CG-CB 4.2Å; E579-F722 HydrophobicContact CG-CD1 4.23Å; E579-F722 HydrophobicContact CG-CD2 3.58Å; E579-F722 HydrophobicContact CG-CE2 3.96Å; E579-F722 HydrophobicContact CG-CG 3.73Å; E579-F722 HydrophobicContact CG-CZ 4.43Å; E579-F722 WeakPolarHBondContact OE1-CA 3.43Å; E579-A723 PolarHBondContact OE1-N 3.48Å; E579-A723 PolarHBondContact OE2-N 3.05Å
580	I	97.8	Very high	93.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.3	168.8	-54.5	-58.7	0	0	0	108.8	P177 I447 F448 P578 L629 F680 Y681 R682	P177-I580 HydrophobicContact CG-CD1 4.07Å; P177-I580 HydrophobicContact CG-CG1 4.15Å; I447-I580 HydrophobicContact CG2-CB 3.82Å; I447-I580 HydrophobicContact CG2-CG1 3.56Å; I447-I580 PolarHBondContact O-N 2.61Å; F448-I580 HydrophobicContact CD1-CB 4.03Å; F448-I580 HydrophobicContact CD1-CG2 4.17Å; F448-I580 HydrophobicContact CE1-CB 3.83Å; F448-I580 HydrophobicContact CE1-CG2 3.7Å; P578-I580 WeakPolarHBondContact CG-O 3.27Å; I580-L629 HydrophobicContact CD1-CD1 3.7Å; I580-F680 HydrophobicContact CG2-CB 4.37Å; I580-F680 HydrophobicContact CG2-CD1 3.95Å; I580-Y681 CarbonylContact C-O 3.58Å; I580-Y681 VanDerWaalsContact CA-O 3.28Å; I580-Y681 WeakPolarHBondContact CA-O 3.47Å; I580-R682 HydrophobicContact CD1-CB 3.54Å
581	L	97.9	Very high	93	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115	174.3	178.9	62.5	0	0	0	110.2	F471 L474 F577 P578 I583 L611 Y626 Y681	F471-L581 HydrophobicContact CE2-CD1 3.82Å; F471-L581 HydrophobicContact CZ-CD1 4.46Å; L474-L581 HydrophobicContact CD1-CD1 3.99Å; L474-L581 HydrophobicContact CG-CD1 4.11Å; F577-L581 HydrophobicContact CD1-CD2 4.48Å; P578-L581 HydrophobicContact CG-CB 4.08Å; P578-L581 HydrophobicContact CG-CD1 3.98Å; L581-I583 HydrophobicContact CD2-CD1 3.95Å; L581-I583 HydrophobicContact CD2-CG1 4.07Å; L581-I583 HydrophobicContact CG-CD1 4.29Å; L581-I583 HydrophobicContact CG-CG1 3.87Å; L581-L611 HydrophobicContact CD2-CD1 3.46Å; L581-L611 VanDerWaalsContact CD2-CD1 3.46Å; L581-Y626 HydrophobicContact CB-CD1 4.17Å; L581-Y626 HydrophobicContact CB-CE1 3.89Å; L581-Y681 PolarHBondContact N-O 2.94Å; L581-Y681 PolarHBondContact O-N 2.86Å
582	C	98.3	Very high	92.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.3	167.5	-175.7	0	0	0	0	109.9	Q472 D473 L474 V678 F680	Q472-C582 WeakPolarHBondContact O-CB 3.26Å; D473-C582 WeakPolarHBondContact CA-O 3.36Å; D473-C582 HydrophobicContact CB-CB 4.04Å; L474-C582 PolarHBondContact N-O 3.27Å; C582-V678 VanDerWaalsContact SG-CG1 3.53Å; C582-F680 HydrophobicContact CB-CD1 4.48Å; C582-F680 HydrophobicContact CB-CE1 4.29Å
583	I	98.5	Very high	91.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.2	176.6	-53.3	-179.6	0	0	0	109	L476 L538 L581 L609 V678 L679 Y681	L476-I583 HydrophobicContact CD1-CG2 3.42Å; L476-I583 VanDerWaalsContact CD1-CG2 3.42Å; L476-I583 HydrophobicContact CG-CG2 3.79Å; L538-I583 HydrophobicContact CD1-CD1 4.3Å; L538-I583 HydrophobicContact CD1-CG2 4.17Å; L538-I583 HydrophobicContact CD2-CD1 4.17Å; L581-I583 HydrophobicContact CD2-CD1 3.95Å; L581-I583 HydrophobicContact CD2-CG1 4.07Å; L581-I583 HydrophobicContact CG-CD1 4.29Å; L581-I583 HydrophobicContact CG-CG1 3.87Å; I583-L609 HydrophobicContact CD1-CD2 4.47Å; I583-V678 CarbonylContact O-C 3.15Å; I583-V678 VanDerWaalsContact O-CA 3.27Å; I583-V678 WeakPolarHBondContact O-CA 3.15Å; I583-L679 PolarHBondContact N-O 2.76Å; I583-L679 PolarHBondContact O-N 3.03Å; I583-Y681 HydrophobicContact CD1-CD2 3.94Å; I583-Y681 HydrophobicContact CD1-CE2 4.19Å
584	H	98.3	Very high	90.8	Very high	19 Å²	19	55 Å²	55	9%	0.088	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.7	173.1	159.3	-141.8	0	0	0	109.4	Q242 L474 S475 L476 Y677 V678	Q242-H584 HydrophobicContact CG-CB 3.95Å; L474-H584 PolarHBondContact O-N 2.87Å; S475-H584 CarbonylContact C-O 3.48Å; S475-H584 WeakPolarHBondContact CA-O 3.45Å; S475-H584 PolarHBondContact OG-ND1 2.79Å; L476-H584 PolarHBondContact N-O 3.37Å; H584-Y677 AromaticContact CD2-CE2 3.38Å; H584-Y677 WeakPolarHBondContact CD2-CE2 3.22Å; H584-Y677 AromaticContact CD2-CZ 3.55Å; H584-Y677 PolarHBondContact CD2-OH 3.44Å; H584-Y677 AromaticContact NE2-CE2 3.28Å; H584-Y677 VanDerWaalsContact NE2-CE2 3.28Å; H584-Y677 WeakPolarHBondContact NE2-CE2 3.35Å; H584-Y677 AromaticContact NE2-CZ 3.47Å; H584-Y677 PolarHBondContact NE2-OH 2.92Å; H584-V678 HydrophobicContact CB-CG2 4.29Å
585	L	97.9	Very high	90.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.2	172	-64.2	-179.2	0	0	0	109.1	L476 I478 L538 C541 R587 V602 Y677 L679	L476-L585 HydrophobicContact CB-CD2 4.25Å; L476-L585 HydrophobicContact CD1-CD2 4.33Å; I478-L585 HydrophobicContact CD1-CB 4.31Å; I478-L585 HydrophobicContact CG1-CB 4.4Å; L538-L585 HydrophobicContact CD1-CD2 4.26Å; C541-L585 HydrophobicContact CB-CD2 4.32Å; L585-R587 PolarHBondContact O-N 3.21Å; L585-V602 HydrophobicContact CD1-CB 4.01Å; L585-V602 HydrophobicContact CD1-CG1 4.12Å; L585-V602 HydrophobicContact CD1-CG2 4.17Å; L585-Y677 PolarHBondContact N-O 3.17Å; L585-L679 HydrophobicContact CD1-CD1 4.06Å; L585-L679 HydrophobicContact CG-CD1 4.1Å
586	K	95.8	Very high	90.1	Very high	95 Å²	95	58.4 Å²	58.4	41%	0.413	28%	0.28	S	S	.	.			trans	-65.6	76.5	-178.6	-73.6	171.5	163	146.4	0	112.1	S475 L476 I598	S475-K586 VanDerWaalsContact O-CE 3.24Å; S475-K586 WeakPolarHBondContact O-CE 3.15Å; S475-K586 PolarHBondContact O-NZ 3.14Å; L476-K586 VanDerWaalsContact O-CB 3.32Å; L476-K586 WeakPolarHBondContact O-CB 3.29Å; L476-K586 WeakPolarHBondContact O-CG 3.14Å; L476-K586 PolarHBondContact O-N 3.25Å; K586-I598 WeakPolarHBondContact O-CD1 3.32Å
587	R	94.8	Very high	90.1	Very high	2 Å²	2	56 Å²	56	1%	0.008	27%	0.269	C	S	.	.			trans	-79	-24.8	-179.6	-72.9	-169	-177.3	-76.6	-7.7	113.6	I478 L585 K597 I598 T600 E675 A676 Y677	I478-R587 HydrophobicContact CD1-CG 3.84Å; L585-R587 PolarHBondContact O-N 3.21Å; R587-K597 HydrophobicContact CB-CG 4.4Å; R587-K597 CarbonylContact O-C 3.55Å; R587-K597 WeakPolarHBondContact O-CA 3.25Å; R587-I598 PolarHBondContact NH1-O 2.8Å; R587-I598 WeakPolarHBondContact O-CG1 3.48Å; R587-I598 PolarHBondContact O-N 2.76Å; R587-T600 PolarHBondContact NH1-O 3Å; R587-E675 IonicContact CZ-OE1 3.76Å; R587-E675 IonicContact NE-OE1 2.62Å; R587-E675 IonicContact NH1-OE1 2.66Å; R587-E675 PolarHBondContact NH1-OE1 3.39Å; R587-A676 VanDerWaalsContact CZ-O 3.26Å; R587-A676 PolarHBondContact NE-O 2.91Å; R587-A676 PolarHBondContact NH2-O 2.82Å; R587-Y677 HydrophobicContact CB-CD2 4.28Å; R587-Y677 HydrophobicContact CG-CD2 4.35Å
588	F	89.9	Confident	89.9	Confident	37 Å²	37	57.1 Å²	57.1	16%	0.162	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.9	-178.5	-53.1	-62.2	0	0	0	111.2	T596 K597 H634 A638 Y677	F588-T596 WeakPolarHBondContact CA-O 3.14Å; F588-K597 HydrophobicContact CD1-CB 4.22Å; F588-K597 HydrophobicContact CD1-CG 4.12Å; F588-K597 HydrophobicContact CE1-CB 4.27Å; F588-K597 HydrophobicContact CE1-CD 4.2Å; F588-K597 HydrophobicContact CE1-CG 3.86Å; F588-H634 AromaticContact CE1-ND1 3.97Å; F588-H634 AromaticContact CZ-CG 3.97Å; F588-H634 AromaticContact CZ-ND1 3.64Å; F588-A638 HydrophobicContact CD1-CB 3.79Å; F588-A638 HydrophobicContact CE1-CB 4.4Å; F588-Y677 HydrophobicContact CD2-CE2 4.1Å; F588-Y677 HydrophobicContact CE2-CD2 4.33Å; F588-Y677 AromaticContact CE2-CE2 3.77Å; F588-Y677 HydrophobicContact CE2-CE2 3.77Å; F588-Y677 AromaticContact CE2-CZ 3.99Å
589	R	84.3	Confident	89.7	Confident	136 Å²	136	61.7 Å²	61.7	51%	0.513	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.8	170.2	-65.6	-174	-179.1	-170.5	2	108.5	S595 T596 I598	R589-S595 CarbonylContact O-C 3.48Å; R589-S595 VanDerWaalsContact O-CA 3.3Å; R589-S595 WeakPolarHBondContact O-CA 3.35Å; R589-T596 PolarHBondContact N-O 2.93Å; R589-T596 PolarHBondContact O-N 2.81Å; R589-I598 HydrophobicContact CG-CD1 4.33Å
590	H	76.8	Confident	89.4	Confident	134 Å²	134	64.2 Å²	64.2	62%	0.62	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.1	178.2	-57.5	-80.8	0	0	0	108.7	S595	H590-S595 WeakPolarHBondContact ND1-CB 3.25Å; H590-S595 PolarHBondContact ND1-OG 3.47Å
591	E	77.3	Confident	89.2	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.5	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	161.7	174.4	-66.3	178.9	-134.3	0	0	108.8	M593 F594	E591-M593 PolarHBondContact O-N 3.43Å; E591-F594 CarbonylContact C-O 3.6Å; E591-F594 HydrophobicContact CB-CD2 4.29Å; E591-F594 HydrophobicContact CB-CE2 4.01Å; E591-F594 HydrophobicContact CB-CZ 4.18Å; E591-F594 VanDerWaalsContact CD-CE2 3.44Å; E591-F594 HydrophobicContact CG-CE2 4.12Å; E591-F594 HydrophobicContact CG-CZ 4.4Å; E591-F594 PolarHBondContact N-O 3.13Å; E591-F594 PolarHBondContact O-N 3.19Å; E591-F594 WeakPolarHBondContact OE1-CE2 3.29Å; E591-F594 WeakPolarHBondContact OE2-CZ 3.27Å
592	L	74.8	Confident	89.1	Confident	188 Å²	188	67.5 Å²	67.5	98%	0.984	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-17.7	-169.6	-76.2	124.2	0	0	0	115.8
593	M	76.4	Confident	89	Confident	181 Å²	181	69.8 Å²	69.8	89%	0.892	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-10	-178.8	-62.5	-174.6	-179.4	0	0	114.6	E591	E591-M593 PolarHBondContact O-N 3.43Å
594	F	79.2	Confident	88.9	Confident	107 Å²	107	70.1 Å²	70.1	47%	0.469	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	162.6	-177.1	57.8	-100.9	0	0	0	112.3	E591 T596	E591-F594 CarbonylContact C-O 3.6Å; E591-F594 HydrophobicContact CB-CD2 4.29Å; E591-F594 HydrophobicContact CB-CE2 4.01Å; E591-F594 HydrophobicContact CB-CZ 4.18Å; E591-F594 VanDerWaalsContact CD-CE2 3.44Å; E591-F594 HydrophobicContact CG-CE2 4.12Å; E591-F594 HydrophobicContact CG-CZ 4.4Å; E591-F594 PolarHBondContact N-O 3.13Å; E591-F594 PolarHBondContact O-N 3.19Å; E591-F594 WeakPolarHBondContact OE1-CE2 3.29Å; E591-F594 WeakPolarHBondContact OE2-CZ 3.27Å; F594-T596 HydrophobicContact CD2-CG2 3.9Å; F594-T596 HydrophobicContact CE2-CG2 4.1Å
595	S	84.6	Confident	88.8	Confident	57 Å²	57	70.8 Å²	70.8	40%	0.399	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	173.2	-56.9	0	0	0	0	109.8	R589 H590	R589-S595 CarbonylContact O-C 3.48Å; R589-S595 VanDerWaalsContact O-CA 3.3Å; R589-S595 WeakPolarHBondContact O-CA 3.35Å; H590-S595 WeakPolarHBondContact ND1-CB 3.25Å; H590-S595 PolarHBondContact ND1-OG 3.47Å
596	T	89.2	Confident	88.8	Confident	60 Å²	60	71.3 Å²	71.3	37%	0.368	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.6	-178.4	53	0	0	0	0	111.8	F588 R589 F594	F588-T596 WeakPolarHBondContact CA-O 3.14Å; R589-T596 PolarHBondContact N-O 2.93Å; R589-T596 PolarHBondContact O-N 2.81Å; F594-T596 HydrophobicContact CD2-CG2 3.9Å; F594-T596 HydrophobicContact CE2-CG2 4.1Å
597	K	93.4	Very high	88.8	Confident	38 Å²	38	71.8 Å²	71.8	17%	0.165	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130	174.3	-173.1	-168.2	178.2	-154.1	0	109.6	R587 F588 S599 H634 G636 A638 E675	R587-K597 HydrophobicContact CB-CG 4.4Å; R587-K597 CarbonylContact O-C 3.55Å; R587-K597 WeakPolarHBondContact O-CA 3.25Å; F588-K597 HydrophobicContact CD1-CB 4.22Å; F588-K597 HydrophobicContact CD1-CG 4.12Å; F588-K597 HydrophobicContact CE1-CB 4.27Å; F588-K597 HydrophobicContact CE1-CD 4.2Å; F588-K597 HydrophobicContact CE1-CG 3.86Å; K597-S599 PolarHBondContact O-N 2.7Å; K597-H634 PolarHBondContact NZ-O 2.6Å; K597-G636 VanDerWaalsContact CD-O 3.23Å; K597-G636 WeakPolarHBondContact CD-O 3.44Å; K597-A638 HydrophobicContact CB-CB 4.42Å; K597-E675 WeakPolarHBondContact CE-OE1 3.36Å; K597-E675 IonicContact NZ-OE1 2.91Å; K597-E675 PolarHBondContact NZ-OE1 2.81Å; K597-E675 IonicContact NZ-OE2 2.68Å; K597-E675 PolarHBondContact NZ-OE2 2.97Å
598	I	91.3	Very high	88.8	Confident	25 Å²	25	73.9 Å²	73.9	13%	0.128	39%	0.391	C	S	.	.			trans	-79.7	101.1	171.3	-53.7	174.1	0	0	0	108.3	I478 K586 R587 R589 T600	I478-I598 HydrophobicContact CB-CD1 4.48Å; I478-I598 HydrophobicContact CB-CG2 4.41Å; I478-I598 HydrophobicContact CD1-CB 4.35Å; I478-I598 HydrophobicContact CD1-CG2 3.98Å; I478-I598 HydrophobicContact CG2-CG2 4.29Å; K586-I598 WeakPolarHBondContact O-CD1 3.32Å; R587-I598 PolarHBondContact NH1-O 2.8Å; R587-I598 WeakPolarHBondContact O-CG1 3.48Å; R587-I598 PolarHBondContact O-N 2.76Å; R589-I598 HydrophobicContact CG-CD1 4.33Å; I598-T600 WeakPolarHBondContact CG2-OG1 3.42Å; I598-T600 PolarHBondContact O-N 3.29Å
599	S	90.3	Very high	89.1	Confident	96 Å²	96	72.1 Å²	72.1	67%	0.671	38%	0.383	S	S	*	.			trans	-82.9	8.9	175.3	53.7	0	0	0	0	114.1	K597 H601	K597-S599 PolarHBondContact O-N 2.7Å; S599-H601 PolarHBondContact O-N 3.24Å
600	T	91	Very high	89.6	Confident	62 Å²	62	69.2 Å²	69.2	38%	0.38	38%	0.377	S	S	.	.			trans	-58.4	122.8	176	-53.9	0	0	0	0	110.3	I478 V536 R587 I598 V602	I478-T600 HydrophobicContact CG2-CG2 4.26Å; V536-T600 HydrophobicContact CG2-CG2 3.69Å; R587-T600 PolarHBondContact NH1-O 3Å; I598-T600 WeakPolarHBondContact CG2-OG1 3.42Å; I598-T600 PolarHBondContact O-N 3.29Å; T600-V602 PolarHBondContact O-N 3.28Å
601	H	92.7	Very high	90.5	Very high	70 Å²	70	62.8 Å²	62.8	32%	0.324	35%	0.348	S	S	.	.			trans	-64.9	131.7	171.1	-174.2	-82.8	0	0	0	109.9	S599	S599-H601 PolarHBondContact O-N 3.24Å
602	V	95.6	Very high	91.3	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.7	174.1	178.1	0	0	0	0	106.3	I478 V536 L585 T600 F604	I478-V602 HydrophobicContact CD1-CG2 4.18Å; I478-V602 HydrophobicContact CG1-CG2 4.25Å; I478-V602 HydrophobicContact CG2-CG2 4.02Å; V536-V602 HydrophobicContact CB-CG2 4.44Å; V536-V602 HydrophobicContact CG1-CG2 4.34Å; V536-V602 CarbonylContact O-C 3.55Å; V536-V602 WeakPolarHBondContact O-CA 3.25Å; L585-V602 HydrophobicContact CD1-CB 4.01Å; L585-V602 HydrophobicContact CD1-CG1 4.12Å; L585-V602 HydrophobicContact CD1-CG2 4.17Å; T600-V602 PolarHBondContact O-N 3.28Å; V602-F604 VanDerWaalsContact O-CD1 3.29Å; V602-F604 WeakPolarHBondContact O-CD1 3.34Å
603	S	96.4	Very high	92.2	Very high	50 Å²	50	57.5 Å²	57.5	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.3	177.5	-177.1	0	0	0	0	110.3	V536 T537 L538	V536-S603 PolarHBondContact O-N 2.96Å; T537-S603 CarbonylContact C-O 3.54Å; T537-S603 WeakPolarHBondContact CA-O 3.35Å; L538-S603 PolarHBondContact N-O 2.98Å
604	F	97.4	Very high	93	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.031	29%	0.286	C	S	.	.			trans	-135.4	143.5	-178.9	53.1	-91.4	0	0	0	110.5	L538 V602 L606 L628 V631 V671 A676 L679	L538-F604 HydrophobicContact CB-CB 4.05Å; L538-F604 HydrophobicContact CD2-CB 3.95Å; V602-F604 VanDerWaalsContact O-CD1 3.29Å; V602-F604 WeakPolarHBondContact O-CD1 3.34Å; F604-L606 HydrophobicContact CE2-CD2 4.36Å; F604-L628 HydrophobicContact CD2-CD2 3.87Å; F604-L628 HydrophobicContact CE2-CD2 3.73Å; F604-V631 HydrophobicContact CE2-CG2 3.92Å; F604-V631 HydrophobicContact CZ-CG1 4.45Å; F604-V631 HydrophobicContact CZ-CG2 4.16Å; F604-V671 VanDerWaalsContact CZ-O 3.23Å; F604-V671 WeakPolarHBondContact CZ-O 3.35Å; F604-A676 HydrophobicContact CD1-CB 4.08Å; F604-A676 HydrophobicContact CE1-CB 3.49Å; F604-A676 VanDerWaalsContact CE1-CB 3.49Å; F604-A676 HydrophobicContact CZ-CB 4Å; F604-L679 HydrophobicContact CB-CD2 3.94Å; F604-L679 HydrophobicContact CD1-CD2 3.87Å; F604-L679 HydrophobicContact CD2-CD2 3.65Å; F604-L679 HydrophobicContact CE1-CD2 4.31Å; F604-L679 HydrophobicContact CE2-CD2 4.09Å; F604-L679 HydrophobicContact CG-CD2 3.53Å; F604-L679 HydrophobicContact CZ-CD2 4.39Å
605	P	96.6	Very high	93.7	Very high	33 Å²	33	45.6 Å²	45.6	21%	0.214	27%	0.269	C	S	.	.			trans	-76.4	146.1	177.2	32.7	-36.2	0	0	0	111.4	L609 Y681	P605-L609 HydrophobicContact CG-CB 3.85Å; P605-L609 HydrophobicContact CG-CD1 4.06Å; P605-L609 HydrophobicContact CG-CG 4.47Å; P605-Y681 WeakPolarHBondContact O-CE1 3.29Å; P605-Y681 PolarHBondContact O-OH 2.7Å
606	L	97.1	Very high	94	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.063	25%	0.254	C	S	.	.	S	Bend	trans	-80.4	-29.7	171.2	-58.6	-173	0	0	0	112.5	F604 L628 W655 E668 V671 Q672	F604-L606 HydrophobicContact CE2-CD2 4.36Å; L606-L628 HydrophobicContact CD2-CD2 3.53Å; L606-L628 VanDerWaalsContact O-CB 3.31Å; L606-L628 WeakPolarHBondContact O-CB 3.48Å; L606-L628 PolarHBondContact O-N 3.15Å; L606-W655 HydrophobicContact CD2-CZ2 4.22Å; L606-E668 HydrophobicContact CD1-CB 3.58Å; L606-E668 HydrophobicContact CD1-CG 3.75Å; L606-V671 HydrophobicContact CD2-CB 4.45Å; L606-V671 HydrophobicContact CD2-CG1 4.08Å; L606-Q672 HydrophobicContact CD1-CG 3.87Å; L606-Q672 HydrophobicContact CD2-CG 3.92Å; L606-Q672 HydrophobicContact CG-CG 3.76Å
607	E	95.9	Very high	93.8	Very high	104 Å²	104	50.2 Å²	50.2	49%	0.486	28%	0.278	S	S	.	.	S	Bend	trans	-141.7	152.1	-179.1	-62.3	-172.8	158.2	0	0	109	D627 R648	E607-D627 VanDerWaalsContact CA-OD1 3.31Å; E607-D627 WeakPolarHBondContact CA-OD1 3.42Å; E607-D627 HydrophobicContact CG-CB 4.43Å; E607-R648 IonicContact OE1-CZ 2.99Å; E607-R648 IonicContact OE1-NH1 2.75Å; E607-R648 PolarHBondContact OE1-NH1 3.48Å; E607-R648 IonicContact OE1-NH2 4Å; E607-R648 PolarHBondContact OE1-NH2 3.13Å
608	G	95.1	Very high	93.4	Very high	46 Å²	46	55 Å²	55	47%	0.474	31%	0.305	S	S	.	.			trans	72.4	31.6	173.5	0	0	0	0	0	116.2	D610 Y626 D627	G608-D610 PolarHBondContact O-N 2.93Å; G608-D610 VanDerWaalsContact O-N 3.08Å; G608-Y626 PolarHBondContact N-O 2.71Å; G608-D627 PolarHBondContact N-OD1 2.56Å
609	L	96.5	Very high	93	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	104.1	169	175.3	59.1	0	0	0	110	L538 Q539 I583 P605 L611 T625 Y626 Y681	L538-L609 HydrophobicContact CD2-CD1 4.38Å; L538-L609 HydrophobicContact CD2-CD2 3.91Å; Q539-L609 HydrophobicContact CG-CD1 4.49Å; I583-L609 HydrophobicContact CD1-CD2 4.47Å; P605-L609 HydrophobicContact CG-CB 3.85Å; P605-L609 HydrophobicContact CG-CD1 4.06Å; P605-L609 HydrophobicContact CG-CG 4.47Å; L609-L611 HydrophobicContact CD1-CD2 4.13Å; L609-L611 HydrophobicContact CD2-CD2 4.11Å; L609-L611 HydrophobicContact CG-CD2 3.86Å; L609-L611 HydrophobicContact CG-CG 4.31Å; L609-T625 WeakPolarHBondContact O-CA 3.14Å; L609-Y626 WeakPolarHBondContact CB-O 3.39Å; L609-Y626 PolarHBondContact N-O 3Å; L609-Y626 PolarHBondContact O-N 3.46Å; L609-Y681 HydrophobicContact CB-CD1 4.23Å; L609-Y681 HydrophobicContact CB-CE1 3.93Å; L609-Y681 HydrophobicContact CD2-CD1 3.79Å; L609-Y681 HydrophobicContact CD2-CD2 3.94Å; L609-Y681 HydrophobicContact CD2-CE1 3.67Å; L609-Y681 HydrophobicContact CD2-CE2 3.79Å; L609-Y681 HydrophobicContact CD2-CG 3.93Å; L609-Y681 HydrophobicContact CG-CE1 4.45Å
610	D	94.8	Very high	92.3	Very high	75 Å²	75	55.4 Å²	55.4	40%	0.401	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.7	173	177.8	29.2	0	0	0	111.9	G608 Q612	G608-D610 PolarHBondContact O-N 2.93Å; G608-D610 VanDerWaalsContact O-N 3.08Å; D610-Q612 WeakPolarHBondContact OD1-CB 3.45Å; D610-Q612 PolarHBondContact OD1-N 2.84Å
611	L	95.3	Very high	91.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.			trans	-111.6	2.7	175.2	-56.4	-179.1	0	0	0	113.8	L542 F577 L581 L609 P613 F614 V624 Y626	L542-L611 HydrophobicContact CD1-CD2 3.73Å; F577-L611 HydrophobicContact CD1-CD1 3.76Å; F577-L611 HydrophobicContact CE1-CB 4.03Å; F577-L611 HydrophobicContact CE1-CD1 3.6Å; F577-L611 HydrophobicContact CE1-CG 4.36Å; F577-L611 HydrophobicContact CE2-CB 3.93Å; F577-L611 HydrophobicContact CG-CD1 4.38Å; F577-L611 HydrophobicContact CZ-CB 3.62Å; F577-L611 HydrophobicContact CZ-CD1 4.1Å; F577-L611 HydrophobicContact CZ-CG 4.44Å; L581-L611 HydrophobicContact CD2-CD1 3.46Å; L581-L611 VanDerWaalsContact CD2-CD1 3.46Å; L609-L611 HydrophobicContact CD1-CD2 4.13Å; L609-L611 HydrophobicContact CD2-CD2 4.11Å; L609-L611 HydrophobicContact CG-CD2 3.86Å; L609-L611 HydrophobicContact CG-CG 4.31Å; L611-P613 VanDerWaalsContact C-N 3.29Å; L611-F614 HydrophobicContact CD2-CD2 4.29Å; L611-F614 PolarHBondContact O-N 3Å; L611-V624 PolarHBondContact N-O 3.33Å; L611-V624 VanDerWaalsContact N-O 3.1Å; L611-Y626 HydrophobicContact CD1-CD2 3.48Å; L611-Y626 VanDerWaalsContact CD1-CD2 3.48Å; L611-Y626 HydrophobicContact CD1-CE2 3.58Å; L611-Y626 HydrophobicContact CD1-CG 4.2Å; L611-Y626 HydrophobicContact CG-CD2 4.04Å; L611-Y626 HydrophobicContact CG-CE2 4.42Å
612	Q	93.6	Very high	90.5	Very high	108 Å²	108	58.5 Å²	58.5	51%	0.505	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-50.2	-37.6	177.3	-173.5	65	-5.5	0	0	114.1	D610 F614 L615 V624	D610-Q612 WeakPolarHBondContact OD1-CB 3.45Å; D610-Q612 PolarHBondContact OD1-N 2.84Å; Q612-F614 PolarHBondContact O-N 3.35Å; Q612-F614 VanDerWaalsContact O-N 3.11Å; Q612-L615 PolarHBondContact O-N 3.07Å; Q612-V624 HydrophobicContact CB-CG2 3.85Å
613	P	93.4	Very high	90.1	Very high	75 Å²	75	59.9 Å²	59.9	49%	0.487	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-61.4	-20.3	177.1	-25.5	36.3	0	0	0	114.7	K573 L611	K573-P613 PolarHBondContact NZ-O 3.22Å; L611-P613 VanDerWaalsContact C-N 3.29Å
614	F	93.6	Very high	89.8	Confident	17 Å²	17	58.1 Å²	58.1	8%	0.075	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-104.5	-7	-174.7	-49.2	-65	0	0	0	113.5	L542 A543 F546 K573 V574 F577 L611 Q612	L542-F614 HydrophobicContact CB-CD2 4.28Å; L542-F614 HydrophobicContact CB-CE1 4.03Å; L542-F614 HydrophobicContact CB-CE2 3.65Å; L542-F614 HydrophobicContact CB-CZ 3.5Å; L542-F614 HydrophobicContact CD1-CD2 4.45Å; L542-F614 HydrophobicContact CD1-CE2 3.95Å; L542-F614 HydrophobicContact CG-CE2 4.35Å; A543-F614 HydrophobicContact CB-CE1 4.38Å; F546-F614 HydrophobicContact CB-CD1 3.89Å; F546-F614 HydrophobicContact CB-CE1 4.46Å; F546-F614 HydrophobicContact CD2-CB 3.85Å; F546-F614 AromaticContact CD2-CD1 3.41Å; F546-F614 HydrophobicContact CD2-CD1 3.41Å; F546-F614 VanDerWaalsContact CD2-CD1 3.41Å; F546-F614 HydrophobicContact CD2-CE1 4.16Å; F546-F614 AromaticContact CD2-CG 3.71Å; F546-F614 HydrophobicContact CD2-CG 3.71Å; F546-F614 HydrophobicContact CE2-CB 3.94Å; F546-F614 HydrophobicContact CE2-CD1 4.25Å; F546-F614 HydrophobicContact CE2-CG 4.1Å; F546-F614 HydrophobicContact CG-CB 4.35Å; F546-F614 AromaticContact CG-CD1 3.89Å; F546-F614 HydrophobicContact CG-CD1 3.89Å; F546-F614 HydrophobicContact CG-CG 4.43Å; K573-F614 WeakPolarHBondContact CD-O 3.49Å; V574-F614 PolarHBondContact N-O 3.23Å; F577-F614 HydrophobicContact CZ-CB 4.19Å; L611-F614 HydrophobicContact CD2-CD2 4.29Å; L611-F614 PolarHBondContact O-N 3Å; Q612-F614 PolarHBondContact O-N 3.35Å; Q612-F614 VanDerWaalsContact O-N 3.11Å
615	L	93.7	Very high	89.7	Confident	22 Å²	22	60.6 Å²	60.6	12%	0.115	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-69.1	149.1	175.7	-159.8	74.6	0	0	0	111.8	V574 F577 Q612 A621 V624	V574-L615 CarbonylContact O-C 3.5Å; V574-L615 WeakPolarHBondContact O-CA 3.35Å; F577-L615 HydrophobicContact CD2-CD1 3.68Å; F577-L615 HydrophobicContact CE2-CB 4.35Å; F577-L615 HydrophobicContact CE2-CD1 3.59Å; Q612-L615 PolarHBondContact O-N 3.07Å; L615-A621 HydrophobicContact CD1-CB 4.31Å; L615-V624 HydrophobicContact CD1-CG1 4.05Å; L615-V624 HydrophobicContact CD2-CG1 4.13Å
616	A	91.1	Very high	89.8	Confident	10 Å²	10	59 Å²	59	8%	0.083	32%	0.322	C	S	.	.			trans	-73.6	148.4	165.2	0	0	0	0	0	110.6	I453 K573 V574 Q575 D618 S619	I453-A616 HydrophobicContact CD1-CB 4.27Å; K573-A616 HydrophobicContact CB-CB 4Å; V574-A616 PolarHBondContact O-N 3.46Å; Q575-A616 VanDerWaalsContact OE1-CB 3.24Å; A616-D618 VanDerWaalsContact C-N 3.26Å; A616-D618 PolarHBondContact O-N 3.08Å; A616-S619 WeakPolarHBondContact O-CB 3.49Å; A616-S619 PolarHBondContact O-N 3.03Å
617	K	85.6	Confident	89.8	Confident	203 Å²	203	59 Å²	59	88%	0.883	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-36.3	-178.9	-70.7	-172.5	174.7	-172.3	0	112.8	S619	K617-S619 VanDerWaalsContact C-N 3.26Å; K617-S619 PolarHBondContact O-N 3.49Å
618	D	84.6	Confident	89.9	Confident	138 Å²	138	54.1 Å²	54.1	74%	0.738	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	29.6	-172.5	-36.3	-62.5	0	0	0	110.7	Q575 A616	Q575-D618 PolarHBondContact NE2-O 2.98Å; A616-D618 VanDerWaalsContact C-N 3.26Å; A616-D618 PolarHBondContact O-N 3.08Å
619	S	83.5	Confident	90	Very high	21 Å²	21	52 Å²	52	15%	0.147	28%	0.277	C	S	.	.			trans	-86.6	135.8	176.2	-178.5	0	0	0	0	110.9	Q575 A616 K617 A621	Q575-S619 WeakPolarHBondContact O-CB 3.24Å; Q575-S619 PolarHBondContact O-OG 3.34Å; A616-S619 WeakPolarHBondContact O-CB 3.49Å; A616-S619 PolarHBondContact O-N 3.03Å; K617-S619 VanDerWaalsContact C-N 3.26Å; K617-S619 PolarHBondContact O-N 3.49Å; S619-A621 VanDerWaalsContact C-N 3.25Å; S619-A621 PolarHBondContact O-N 3.22Å; S619-A621 WeakPolarHBondContact OG-CB 3.49Å; S619-A621 PolarHBondContact OG-N 3.18Å
620	P	75.1	Confident	90.1	Very high	110 Å²	110	52 Å²	52	71%	0.714	28%	0.277	S	S	*	.			trans	-80.9	0.6	174.3	34.5	-36.7	0	0	0	113.7	Q622	P620-Q622 PolarHBondContact O-N 2.76Å
621	A	73.1	Confident	90.3	Very high	22 Å²	22	48.5 Å²	48.5	18%	0.182	26%	0.258	C	S	.	.			trans	-69.9	126.1	-174.9	0	0	0	0	0	111.7	L615 S619	L615-A621 HydrophobicContact CD1-CB 4.31Å; S619-A621 VanDerWaalsContact C-N 3.25Å; S619-A621 PolarHBondContact O-N 3.22Å; S619-A621 WeakPolarHBondContact OG-CB 3.49Å; S619-A621 PolarHBondContact OG-N 3.18Å
622	Q	73.3	Confident	90.5	Very high	174 Å²	174	48.5 Å²	48.5	81%	0.813	26%	0.258	S	S	*	.			trans	-95	-23.6	-179.1	-59.5	-177.2	9.6	0	0	112.2	P620 E724	P620-Q622 PolarHBondContact O-N 2.76Å; Q622-E724 PolarHBondContact N-OE1 2.67Å; Q622-E724 VanDerWaalsContact N-OE1 3.16Å
623	I	86.6	Confident	90.7	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.159	23%	0.234	C	C	.	.			trans	-120.2	117.9	-176.4	-70.1	151.7	0	0	0	110.4	K683 S684 A723 E724	I623-K683 HydrophobicContact CG2-CB 4.06Å; I623-K683 HydrophobicContact CG2-CD 4.13Å; I623-K683 HydrophobicContact CG2-CG 4.2Å; I623-S684 VanDerWaalsContact CG2-O 3.26Å; I623-S684 WeakPolarHBondContact CG2-O 3.48Å; I623-A723 HydrophobicContact CD1-CB 4.31Å; I623-A723 HydrophobicContact CG2-CB 4.42Å; I623-E724 HydrophobicContact CD1-CG 3.75Å
624	V	90.9	Very high	90.8	Very high	12 Å²	12	40.2 Å²	40.2	7%	0.073	21%	0.213	C	C	.	.			trans	-130.8	9.3	-179.3	-61.6	0	0	0	0	113.5	F577 L611 Q612 L615 Y626	F577-V624 HydrophobicContact CD2-CG1 4.28Å; L611-V624 PolarHBondContact N-O 3.33Å; L611-V624 VanDerWaalsContact N-O 3.1Å; Q612-V624 HydrophobicContact CB-CG2 3.85Å; L615-V624 HydrophobicContact CD1-CG1 4.05Å; L615-V624 HydrophobicContact CD2-CG1 4.13Å; V624-Y626 WeakPolarHBondContact O-CD2 3.32Å
625	T	95.3	Very high	90.8	Very high	59 Å²	59	43.6 Å²	43.6	36%	0.362	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.7	175.1	-51	0	0	0	0	109.6	L609 S684	L609-T625 WeakPolarHBondContact O-CA 3.14Å; T625-S684 PolarHBondContact O-N 2.98Å
626	Y	97.4	Very high	90.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.2	-172.1	-77.2	-103	0	0	0	113.9	F577 P578 L581 G608 L609 L611 V624 R682 K683	F577-Y626 HydrophobicContact CB-CE2 4.38Å; F577-Y626 WeakPolarHBondContact CB-OH 3.38Å; P578-Y626 PolarHBondContact O-OH 3.16Å; L581-Y626 HydrophobicContact CB-CD1 4.17Å; L581-Y626 HydrophobicContact CB-CE1 3.89Å; G608-Y626 PolarHBondContact N-O 2.71Å; L609-Y626 WeakPolarHBondContact CB-O 3.39Å; L609-Y626 PolarHBondContact N-O 3Å; L609-Y626 PolarHBondContact O-N 3.46Å; L611-Y626 HydrophobicContact CD1-CD2 3.48Å; L611-Y626 VanDerWaalsContact CD1-CD2 3.48Å; L611-Y626 HydrophobicContact CD1-CE2 3.58Å; L611-Y626 HydrophobicContact CD1-CG 4.2Å; L611-Y626 HydrophobicContact CG-CD2 4.04Å; L611-Y626 HydrophobicContact CG-CE2 4.42Å; V624-Y626 WeakPolarHBondContact O-CD2 3.32Å; Y626-R682 CarbonylContact C-O 3.44Å; Y626-R682 WeakPolarHBondContact CA-O 3.48Å; Y626-R682 WeakPolarHBondContact CB-O 3.44Å; Y626-R682 WeakPolarHBondContact CD1-O 3.41Å; Y626-K683 HydrophobicContact CD1-CG 4.37Å; Y626-K683 HydrophobicContact CE1-CB 4.35Å; Y626-K683 HydrophobicContact CE1-CG 3.58Å; Y626-K683 HydrophobicContact CE2-CG 4.04Å; Y626-K683 WeakPolarHBondContact OH-CE 3.5Å; Y626-K683 VanDerWaalsContact OH-CG 3.23Å; Y626-K683 WeakPolarHBondContact OH-CG 3.34Å
627	D	97.3	Very high	90.7	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.5	174.2	-56.3	-31.8	0	0	0	110.8	E607 G608 Y681 R682 S684	E607-D627 VanDerWaalsContact CA-OD1 3.31Å; E607-D627 WeakPolarHBondContact CA-OD1 3.42Å; E607-D627 HydrophobicContact CG-CB 4.43Å; G608-D627 PolarHBondContact N-OD1 2.56Å; D627-Y681 VanDerWaalsContact C-CD1 3.49Å; D627-Y681 CarbonylContact O-C 3.55Å; D627-Y681 WeakPolarHBondContact O-CA 3.36Å; D627-R682 HydrophobicContact CB-CG 4.2Å; D627-R682 PolarHBondContact N-O 3.22Å; D627-R682 WeakPolarHBondContact O-CG 3.41Å; D627-R682 PolarHBondContact O-N 2.93Å; D627-S684 WeakPolarHBondContact OD2-CB 3.26Å; D627-S684 PolarHBondContact OD2-OG 2.91Å
628	L	98.4	Very high	90.7	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.2	-176.5	-168.9	71.1	0	0	0	110.9	F604 L606 V631 W655 V671 L679 Y681	F604-L628 HydrophobicContact CD2-CD2 3.87Å; F604-L628 HydrophobicContact CE2-CD2 3.73Å; L606-L628 HydrophobicContact CD2-CD2 3.53Å; L606-L628 VanDerWaalsContact O-CB 3.31Å; L606-L628 WeakPolarHBondContact O-CB 3.48Å; L606-L628 PolarHBondContact O-N 3.15Å; L628-V631 HydrophobicContact CD1-CG2 4.1Å; L628-V631 HydrophobicContact CD2-CG2 3.62Å; L628-V631 HydrophobicContact CG-CG2 4.19Å; L628-W655 HydrophobicContact CB-CH2 4.2Å; L628-W655 HydrophobicContact CB-CZ2 4.49Å; L628-W655 HydrophobicContact CD2-CH2 3.78Å; L628-W655 HydrophobicContact CD2-CZ2 4.32Å; L628-W655 HydrophobicContact CG-CH2 3.86Å; L628-V671 HydrophobicContact CD2-CG1 4.45Å; L628-L679 HydrophobicContact CD1-CB 3.96Å; L628-L679 HydrophobicContact CD1-CD2 4.04Å; L628-Y681 HydrophobicContact CB-CD1 4.15Å; L628-Y681 HydrophobicContact CB-CE1 3.74Å; L628-Y681 HydrophobicContact CD1-CD1 4.22Å; L628-Y681 HydrophobicContact CD1-CD2 3.92Å; L628-Y681 HydrophobicContact CD1-CE1 3.85Å; L628-Y681 HydrophobicContact CD1-CE2 3.54Å; L628-Y681 HydrophobicContact CD1-CG 4.24Å; L628-Y681 VanDerWaalsContact CD1-CZ 3.49Å; L628-Y681 HydrophobicContact CG-CE1 4.37Å
629	L	97.9	Very high	90.6	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-45.5	172.4	-69.3	-176.2	0	0	0	112.2	I580 C647 R648 F680 R682	I580-L629 HydrophobicContact CD1-CD1 3.7Å; L629-C647 WeakPolarHBondContact O-CA 3.33Å; L629-R648 PolarHBondContact O-N 3.04Å; L629-F680 HydrophobicContact CB-CB 4.47Å; L629-F680 PolarHBondContact N-O 2.89Å; L629-R682 HydrophobicContact CD1-CB 3.99Å; L629-R682 HydrophobicContact CD1-CG 4.46Å; L629-R682 HydrophobicContact CD2-CB 4.35Å; L629-R682 HydrophobicContact CD2-CG 3.92Å; L629-R682 HydrophobicContact CG-CB 4.03Å; L629-R682 HydrophobicContact CG-CG 4Å
630	S	98.4	Very high	90.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.8	-176.6	61.5	0	0	0	0	113.9	A171 Y646 C647 L679 F680	A171-S630 WeakPolarHBondContact CB-OG 3.21Å; S630-Y646 CarbonylContact C-O 3.52Å; S630-Y646 WeakPolarHBondContact CA-O 3.43Å; S630-Y646 VanDerWaalsContact CB-O 3.26Å; S630-Y646 WeakPolarHBondContact CB-O 3.27Å; S630-C647 VanDerWaalsContact CB-SG 3.5Å; S630-L679 WeakPolarHBondContact O-CA 3.31Å; S630-F680 PolarHBondContact N-O 2.96Å; S630-F680 PolarHBondContact O-N 3.21Å; S630-F680 WeakPolarHBondContact OG-CB 3.47Å; S630-F680 WeakPolarHBondContact OG-CD2 3.34Å
631	V	98.6	Very high	91.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.9	177.9	-174.3	0	0	0	0	108.9	F604 L628 A645 Y646 V671 A676 V678 L679	F604-V631 HydrophobicContact CE2-CG2 3.92Å; F604-V631 HydrophobicContact CZ-CG1 4.45Å; F604-V631 HydrophobicContact CZ-CG2 4.16Å; L628-V631 HydrophobicContact CD1-CG2 4.1Å; L628-V631 HydrophobicContact CD2-CG2 3.62Å; L628-V631 HydrophobicContact CG-CG2 4.19Å; V631-A645 CarbonylContact O-C 3.57Å; V631-A645 WeakPolarHBondContact O-CA 3.38Å; V631-Y646 PolarHBondContact N-O 2.85Å; V631-Y646 PolarHBondContact O-N 2.95Å; V631-V671 HydrophobicContact CG2-CG1 4.12Å; V631-A676 HydrophobicContact CG1-CB 3.41Å; V631-A676 VanDerWaalsContact CG1-CB 3.41Å; V631-V678 CarbonylContact C-O 3.56Å; V631-V678 WeakPolarHBondContact CA-O 3.43Å; V631-L679 HydrophobicContact CG1-CG 4.49Å; V631-L679 HydrophobicContact CG2-CD2 4.34Å
632	I	98.6	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.4	165.5	-59.3	175.9	0	0	0	107.8	A167 A168 A171 A241 L245 Y643 I644 A645 Y677 V678 F680	A167-I632 HydrophobicContact CB-CG2 4.05Å; A168-I632 HydrophobicContact CB-CD1 4.4Å; A171-I632 HydrophobicContact CB-CD1 3.93Å; A171-I632 HydrophobicContact CB-CG1 3.92Å; A241-I632 HydrophobicContact CB-CG2 4.28Å; L245-I632 HydrophobicContact CD1-CD1 3.87Å; I632-Y643 HydrophobicContact CG2-CD1 3.82Å; I632-Y643 HydrophobicContact CG2-CE1 4.43Å; I632-I644 WeakPolarHBondContact CA-O 3.4Å; I632-A645 HydrophobicContact CG1-CB 4.49Å; I632-Y677 WeakPolarHBondContact O-CA 3.5Å; I632-Y677 WeakPolarHBondContact O-CB 3.18Å; I632-Y677 PolarHBondContact O-N 2.6Å; I632-V678 HydrophobicContact CB-CB 4.19Å; I632-V678 HydrophobicContact CD1-CB 4.29Å; I632-V678 PolarHBondContact N-O 2.95Å; I632-V678 PolarHBondContact O-N 3.5Å; I632-F680 HydrophobicContact CD1-CE2 4.26Å
633	C	97.8	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.8	177.6	-66	0	0	0	0	110.6	Y643 I644	C633-Y643 WeakPolarHBondContact O-CA 3.44Å; C633-I644 HydrophobicContact CB-CG1 4.04Å; C633-I644 PolarHBondContact N-O 2.73Å; C633-I644 PolarHBondContact O-N 3.04Å
634	H	96.2	Very high	94.5	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.046	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.8	176.4	-178.6	-99.4	0	0	0	111.8	F588 K597 T637 G641 H642 Y643	F588-H634 AromaticContact CE1-ND1 3.97Å; F588-H634 AromaticContact CZ-CG 3.97Å; F588-H634 AromaticContact CZ-ND1 3.64Å; K597-H634 PolarHBondContact NZ-O 2.6Å; H634-T637 PolarHBondContact CE1-O 3.06Å; H634-T637 VanDerWaalsContact CE1-O 3.22Å; H634-G641 WeakPolarHBondContact NE2-CA 3.48Å; H634-H642 WeakPolarHBondContact CA-O 3.44Å; H634-Y643 HydrophobicContact CB-CD1 3.97Å; H634-Y643 HydrophobicContact CB-CE1 3.65Å; H634-Y643 AromaticContact CD2-CD1 3.9Å; H634-Y643 AromaticContact CD2-CD2 3.82Å; H634-Y643 AromaticContact CD2-CE1 3.62Å; H634-Y643 AromaticContact CD2-CE2 3.54Å; H634-Y643 AromaticContact CD2-CZ 3.43Å; H634-Y643 VanDerWaalsContact CD2-CZ 3.43Å; H634-Y643 AromaticContact CG-CE1 3.92Å
635	H	93.8	Very high	94.9	Very high	87 Å²	87	27.5 Å²	27.5	40%	0.403	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.2	177.4	-62.4	133	0	0	0	110.6	G641 H642	H635-G641 CarbonylContact O-C 3.47Å; H635-G641 WeakPolarHBondContact O-CA 3.43Å; H635-H642 PolarHBondContact N-O 2.94Å; H635-H642 PolarHBondContact O-N 3.17Å
636	G	92	Very high	95.1	Very high	42 Å²	42	25.5 Å²	25.5	43%	0.433	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-162.3	-177.4	0	0	0	0	0	113.8	K597	K597-G636 VanDerWaalsContact CD-O 3.23Å; K597-G636 WeakPolarHBondContact CD-O 3.44Å
637	T	90	Very high	95.1	Very high	76 Å²	76	25.5 Å²	25.5	47%	0.466	16%	0.162	S	C	.	.			trans	-91.6	-169.7	178.1	72.8	0	0	0	0	111.2	H634 S639 S640	H634-T637 PolarHBondContact CE1-O 3.06Å; H634-T637 VanDerWaalsContact CE1-O 3.22Å; T637-S639 VanDerWaalsContact C-N 3.28Å; T637-S639 PolarHBondContact OG1-N 2.92Å; T637-S639 VanDerWaalsContact OG1-N 3.08Å; T637-S639 PolarHBondContact OG1-OG 2.84Å; T637-S640 PolarHBondContact N-O 2.67Å; T637-S640 PolarHBondContact OG1-N 2.87Å; T637-S640 VanDerWaalsContact OG1-N 3.11Å; T637-S640 PolarHBondContact OG1-O 3.32Å
638	A	84.9	Confident	95.1	Very high	22 Å²	22	26 Å²	26	18%	0.182	16%	0.163	C	C	.	.	S	Bend	trans	-83.2	1.6	170.2	0	0	0	0	0	114.1	F588 K597	F588-A638 HydrophobicContact CD1-CB 3.79Å; F588-A638 HydrophobicContact CE1-CB 4.4Å; K597-A638 HydrophobicContact CB-CB 4.42Å
639	S	83.5	Confident	94.8	Very high	109 Å²	109	26 Å²	26	76%	0.762	16%	0.163	S	C	*	.	S	Bend	trans	-126.8	-16.1	-177.9	58.6	0	0	0	0	114.3	T637	T637-S639 VanDerWaalsContact C-N 3.28Å; T637-S639 PolarHBondContact OG1-N 2.92Å; T637-S639 VanDerWaalsContact OG1-N 3.08Å; T637-S639 PolarHBondContact OG1-OG 2.84Å
640	S	88.1	Confident	94.3	Very high	64 Å²	64	29.1 Å²	29.1	45%	0.448	18%	0.18	S	C	.	.	S	Bend	trans	-159	144.4	169.4	-166.7	0	0	0	0	111.4	Q238 T637	Q238-S640 PolarHBondContact NE2-OG 2.84Å; Q238-S640 VanDerWaalsContact OE1-CA 3.3Å; Q238-S640 PolarHBondContact OE1-OG 3.44Å; T637-S640 PolarHBondContact N-O 2.67Å; T637-S640 PolarHBondContact OG1-N 2.87Å; T637-S640 VanDerWaalsContact OG1-N 3.11Å; T637-S640 PolarHBondContact OG1-O 3.32Å
641	G	92.9	Very high	93.8	Very high	17 Å²	17	33.4 Å²	33.4	18%	0.175	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-164.1	177.7	0	0	0	0	0	112.7	Q238 H634 H635	Q238-G641 PolarHBondContact NE2-O 3.05Å; H634-G641 WeakPolarHBondContact NE2-CA 3.48Å; H635-G641 CarbonylContact O-C 3.47Å; H635-G641 WeakPolarHBondContact O-CA 3.43Å
642	H	96.6	Very high	93.3	Very high	58 Å²	58	36 Å²	36	27%	0.269	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.9	-173.6	-173.1	52.6	0	0	0	110.8	C163 H634 H635 D659 D660	C163-H642 WeakPolarHBondContact CB-CE1 3.49Å; C163-H642 VanDerWaalsContact CB-ND1 3.32Å; C163-H642 WeakPolarHBondContact CB-ND1 3.32Å; C163-H642 PolarHBondContact SG-ND1 2.92Å; H634-H642 WeakPolarHBondContact CA-O 3.44Å; H635-H642 PolarHBondContact N-O 2.94Å; H635-H642 PolarHBondContact O-N 3.17Å; H642-D659 IonicContact CD2-OD1 2.68Å; H642-D659 IonicContact CE1-OD1 2.76Å; H642-D659 IonicContact NE2-OD1 2.75Å; H642-D659 PolarHBondContact NE2-OD1 3.4Å; H642-D660 IonicContact CE1-OD2 2.61Å; H642-D660 PolarHBondContact CE1-OD2 3.38Å
643	Y	98.3	Very high	93	Very high	12 Å²	12	39.6 Å²	39.6	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133	-178.3	-76.8	-80.3	0	0	0	110.8	D240 A241 I632 C633 H634 Y677	D240-Y643 PolarHBondContact OD2-OH 3.45Å; A241-Y643 HydrophobicContact CB-CD1 3.88Å; A241-Y643 HydrophobicContact CB-CE1 3.65Å; A241-Y643 HydrophobicContact CB-CE2 4.39Å; A241-Y643 HydrophobicContact CB-CG 4.33Å; I632-Y643 HydrophobicContact CG2-CD1 3.82Å; I632-Y643 HydrophobicContact CG2-CE1 4.43Å; C633-Y643 WeakPolarHBondContact O-CA 3.44Å; H634-Y643 HydrophobicContact CB-CD1 3.97Å; H634-Y643 HydrophobicContact CB-CE1 3.65Å; H634-Y643 AromaticContact CD2-CD1 3.9Å; H634-Y643 AromaticContact CD2-CD2 3.82Å; H634-Y643 AromaticContact CD2-CE1 3.62Å; H634-Y643 AromaticContact CD2-CE2 3.54Å; H634-Y643 AromaticContact CD2-CZ 3.43Å; H634-Y643 VanDerWaalsContact CD2-CZ 3.43Å; H634-Y643 AromaticContact CG-CE1 3.92Å; Y643-Y677 AromaticContact CE1-CD1 3.69Å; Y643-Y677 HydrophobicContact CE1-CD1 3.69Å; Y643-Y677 HydrophobicContact CE1-CE1 4Å
644	I	98.4	Very high	92.9	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	163	171.5	66.2	168.5	0	0	0	109.7	I632 C633 Y646 E657 D659	I632-I644 WeakPolarHBondContact CA-O 3.4Å; C633-I644 HydrophobicContact CB-CG1 4.04Å; C633-I644 PolarHBondContact N-O 2.73Å; C633-I644 PolarHBondContact O-N 3.04Å; I644-Y646 HydrophobicContact CD1-CE2 3.87Å; I644-Y646 WeakPolarHBondContact CD1-OH 3.39Å; I644-E657 HydrophobicContact CD1-CG 4.3Å; I644-D659 HydrophobicContact CG2-CB 4.01Å
645	A	98.7	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.4	173.5	0	0	0	0	0	111.8	A167 Q170 V631 I632 F658	A167-A645 HydrophobicContact CB-CB 4.11Å; Q170-A645 HydrophobicContact CB-CB 4.23Å; V631-A645 CarbonylContact O-C 3.57Å; V631-A645 WeakPolarHBondContact O-CA 3.38Å; I632-A645 HydrophobicContact CG1-CB 4.49Å; A645-F658 PolarHBondContact N-O 3.34Å; A645-F658 VanDerWaalsContact N-O 3.17Å; A645-F658 PolarHBondContact O-N 2.83Å
646	Y	98.8	Very high	93.1	Very high	16 Å²	16	39.5 Å²	39.5	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.1	162.7	-62.7	-72.1	0	0	0	108.4	S630 V631 I644 Y656 E657 V666 T670 V671 A674	S630-Y646 CarbonylContact C-O 3.52Å; S630-Y646 WeakPolarHBondContact CA-O 3.43Å; S630-Y646 VanDerWaalsContact CB-O 3.26Å; S630-Y646 WeakPolarHBondContact CB-O 3.27Å; V631-Y646 PolarHBondContact N-O 2.85Å; V631-Y646 PolarHBondContact O-N 2.95Å; I644-Y646 HydrophobicContact CD1-CE2 3.87Å; I644-Y646 WeakPolarHBondContact CD1-OH 3.39Å; Y646-Y656 CarbonylContact C-O 3.57Å; Y646-Y656 WeakPolarHBondContact CA-O 3.45Å; Y646-E657 HydrophobicContact CD1-CB 3.79Å; Y646-E657 HydrophobicContact CD1-CG 4.12Å; Y646-E657 HydrophobicContact CE1-CB 3.58Å; Y646-E657 HydrophobicContact CE1-CG 3.56Å; Y646-E657 WeakPolarHBondContact CE1-OE2 3.26Å; Y646-E657 VanDerWaalsContact CZ-OE2 3.27Å; Y646-E657 PolarHBondContact OH-OE2 3.21Å; Y646-V666 HydrophobicContact CD1-CG2 3.93Å; Y646-V666 HydrophobicContact CE1-CG1 4.44Å; Y646-V666 HydrophobicContact CE1-CG2 4.28Å; Y646-T670 HydrophobicContact CE1-CG2 4.36Å; Y646-V671 HydrophobicContact CD1-CG2 4.26Å; Y646-V671 HydrophobicContact CG-CG2 4.23Å; Y646-A674 HydrophobicContact CD2-CB 3.97Å; Y646-A674 HydrophobicContact CE2-CB 3.69Å
647	C	98.4	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.2	178.5	-55.1	0	0	0	0	111.4	N174 L629 S630 W655 Y656 F658	N174-C647 HydrophobicContact CB-CB 3.68Å; N174-C647 VanDerWaalsContact CG-CB 3.5Å; L629-C647 WeakPolarHBondContact O-CA 3.33Å; S630-C647 VanDerWaalsContact CB-SG 3.5Å; C647-W655 VanDerWaalsContact C-CE3 3.44Å; C647-Y656 PolarHBondContact N-O 3.31Å; C647-Y656 PolarHBondContact O-N 2.93Å; C647-F658 HydrophobicContact CB-CD2 4.22Å; C647-F658 HydrophobicContact CB-CE2 3.8Å
648	R	96.5	Very high	93.9	Very high	24 Å²	24	36.2 Å²	36.2	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.7	172	-161.6	-179.7	-170.7	-178.2	4.3	109.5	E607 L629 N650 N653 L654 W655	E607-R648 IonicContact OE1-CZ 2.99Å; E607-R648 IonicContact OE1-NH1 2.75Å; E607-R648 PolarHBondContact OE1-NH1 3.48Å; E607-R648 IonicContact OE1-NH2 4Å; E607-R648 PolarHBondContact OE1-NH2 3.13Å; L629-R648 PolarHBondContact O-N 3.04Å; R648-N650 PolarHBondContact O-N 2.79Å; R648-N653 WeakPolarHBondContact CG-O 3.39Å; R648-N653 PolarHBondContact NE-O 2.96Å; R648-L654 CarbonylContact C-O 3.51Å; R648-L654 WeakPolarHBondContact CA-O 3.39Å; R648-W655 HydrophobicContact CB-CD2 3.87Å; R648-W655 HydrophobicContact CB-CE3 3.96Å; R648-W655 HydrophobicContact CB-CH2 3.86Å; R648-W655 HydrophobicContact CB-CZ2 3.79Å; R648-W655 HydrophobicContact CB-CZ3 3.96Å; R648-W655 HydrophobicContact CG-CD2 4.18Å; R648-W655 HydrophobicContact CG-CG 4.47Å; R648-W655 HydrophobicContact CG-CZ2 4.16Å
649	N	93.5	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.			trans	-77.4	122.9	178.4	-173.9	-71.9	0	0	0	110.1	R151 L153 L651 N652 N653 L654 Y656	R151-N649 PolarHBondContact O-ND2 3Å; L153-N649 HydrophobicContact CD2-CB 4.2Å; L153-N649 WeakPolarHBondContact CD2-ND2 3.47Å; N649-L651 PolarHBondContact O-N 3.38Å; N649-L651 VanDerWaalsContact OD1-CB 3.32Å; N649-L651 WeakPolarHBondContact OD1-CB 3.32Å; N649-L651 PolarHBondContact OD1-N 3.41Å; N649-N652 WeakPolarHBondContact CB-OD1 3.45Å; N649-N653 WeakPolarHBondContact O-CA 3.14Å; N649-N653 PolarHBondContact O-N 2.96Å; N649-L654 PolarHBondContact N-O 3.3Å; N649-Y656 HydrophobicContact CB-CD2 4.01Å; N649-Y656 HydrophobicContact CB-CE2 3.91Å
650	N	87.2	Confident	95.2	Very high	69 Å²	69	33.7 Å²	33.7	37%	0.369	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.2	-173.9	-167.7	86.7	0	0	0	114.5	P176 R648 R682	P176-N650 HydrophobicContact CG-CB 3.93Å; R648-N650 PolarHBondContact O-N 2.79Å; N650-R682 PolarHBondContact OD1-NH1 3.28Å
651	L	86.3	Confident	95.6	Very high	89 Å²	89	35.6 Å²	35.6	47%	0.466	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-49.6	178.1	-56.1	174	0	0	0	111.3	R151 W209 N649	R151-L651 HydrophobicContact CB-CD1 4.04Å; R151-L651 HydrophobicContact CG-CD1 4.39Å; W209-L651 HydrophobicContact CZ3-CD1 4.19Å; N649-L651 PolarHBondContact O-N 3.38Å; N649-L651 VanDerWaalsContact OD1-CB 3.32Å; N649-L651 WeakPolarHBondContact OD1-CB 3.32Å; N649-L651 PolarHBondContact OD1-N 3.41Å
652	N	89.9	Confident	95.8	Very high	56 Å²	56	37.3 Å²	37.3	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-4.3	-179.5	71.5	2.2	0	0	0	114.4	N649 L654 Y656	N649-N652 WeakPolarHBondContact CB-OD1 3.45Å; N652-L654 HydrophobicContact CB-CG 4.46Å; N652-L654 PolarHBondContact O-N 3.08Å; N652-L654 WeakPolarHBondContact OD1-CB 3.32Å; N652-L654 PolarHBondContact OD1-N 3.21Å; N652-Y656 PolarHBondContact ND2-OH 3.13Å
653	N	90.4	Very high	95.8	Very high	75 Å²	75	36.4 Å²	36.4	40%	0.401	19%	0.189	S	C	.	.			trans	62.5	8.3	-177.7	-58.8	-80.1	0	0	0	116.1	R648 N649	R648-N653 WeakPolarHBondContact CG-O 3.39Å; R648-N653 PolarHBondContact NE-O 2.96Å; N649-N653 WeakPolarHBondContact O-CA 3.14Å; N649-N653 PolarHBondContact O-N 2.96Å
654	L	95.7	Very high	95.8	Very high	75 Å²	75	38.7 Å²	38.7	39%	0.393	21%	0.205	S	C	.	.			trans	-82.8	160.4	177.5	-58.4	-179.2	0	0	0	112	R648 N649 N652 Y656	R648-L654 CarbonylContact C-O 3.51Å; R648-L654 WeakPolarHBondContact CA-O 3.39Å; N649-L654 PolarHBondContact N-O 3.3Å; N652-L654 HydrophobicContact CB-CG 4.46Å; N652-L654 PolarHBondContact O-N 3.08Å; N652-L654 WeakPolarHBondContact OD1-CB 3.32Å; N652-L654 PolarHBondContact OD1-N 3.21Å; L654-Y656 HydrophobicContact CB-CE2 3.81Å
655	W	98.1	Very high	95.7	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.019	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.1	-179.9	-74.3	91.6	0	0	0	112	L606 L628 C647 R648 V666 V671	L606-W655 HydrophobicContact CD2-CZ2 4.22Å; L628-W655 HydrophobicContact CB-CH2 4.2Å; L628-W655 HydrophobicContact CB-CZ2 4.49Å; L628-W655 HydrophobicContact CD2-CH2 3.78Å; L628-W655 HydrophobicContact CD2-CZ2 4.32Å; L628-W655 HydrophobicContact CG-CH2 3.86Å; C647-W655 VanDerWaalsContact C-CE3 3.44Å; R648-W655 HydrophobicContact CB-CD2 3.87Å; R648-W655 HydrophobicContact CB-CE3 3.96Å; R648-W655 HydrophobicContact CB-CH2 3.86Å; R648-W655 HydrophobicContact CB-CZ2 3.79Å; R648-W655 HydrophobicContact CB-CZ3 3.96Å; R648-W655 HydrophobicContact CG-CD2 4.18Å; R648-W655 HydrophobicContact CG-CG 4.47Å; R648-W655 HydrophobicContact CG-CZ2 4.16Å; W655-V666 HydrophobicContact CB-CG2 3.96Å; W655-V666 PolarHBondContact O-N 3.3Å; W655-V671 HydrophobicContact CB-CG2 4.09Å; W655-V671 HydrophobicContact CD2-CG1 4.44Å; W655-V671 HydrophobicContact CD2-CG2 3.87Å; W655-V671 HydrophobicContact CE3-CB 4.49Å; W655-V671 HydrophobicContact CE3-CG1 4.03Å; W655-V671 HydrophobicContact CE3-CG2 3.81Å; W655-V671 HydrophobicContact CG-CG2 4.01Å; W655-V671 HydrophobicContact CH2-CG1 4.26Å; W655-V671 HydrophobicContact CZ3-CG1 3.93Å
656	Y	98.1	Very high	95.7	Very high	14 Å²	14	45.5 Å²	45.5	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.4	178.5	-63.1	-85.7	0	0	0	111	L153 Y646 C647 N649 N652 L654 F658 V663 T664 E665	L153-Y656 HydrophobicContact CD1-CD1 4.32Å; L153-Y656 HydrophobicContact CD1-CD2 4.28Å; L153-Y656 HydrophobicContact CD1-CE1 3.9Å; L153-Y656 HydrophobicContact CD1-CE2 3.83Å; L153-Y656 HydrophobicContact CD2-CD1 4.12Å; L153-Y656 HydrophobicContact CD2-CD2 3.4Å; L153-Y656 VanDerWaalsContact CD2-CD2 3.4Å; L153-Y656 HydrophobicContact CD2-CE1 4.46Å; L153-Y656 HydrophobicContact CD2-CE2 3.77Å; L153-Y656 HydrophobicContact CD2-CG 3.61Å; L153-Y656 HydrophobicContact CG-CD2 4.49Å; L153-Y656 HydrophobicContact CG-CE2 4.45Å; Y646-Y656 CarbonylContact C-O 3.57Å; Y646-Y656 WeakPolarHBondContact CA-O 3.45Å; C647-Y656 PolarHBondContact N-O 3.31Å; C647-Y656 PolarHBondContact O-N 2.93Å; N649-Y656 HydrophobicContact CB-CD2 4.01Å; N649-Y656 HydrophobicContact CB-CE2 3.91Å; N652-Y656 PolarHBondContact ND2-OH 3.13Å; L654-Y656 HydrophobicContact CB-CE2 3.81Å; Y656-F658 WeakPolarHBondContact O-CD2 3.29Å; Y656-V663 HydrophobicContact CD1-CG1 4.4Å; Y656-T664 CarbonylContact C-O 3.59Å; Y656-T664 VanDerWaalsContact CA-O 3.25Å; Y656-T664 WeakPolarHBondContact CA-O 3.46Å; Y656-E665 HydrophobicContact CD1-CB 3.93Å; Y656-E665 HydrophobicContact CD1-CG 4.18Å; Y656-E665 HydrophobicContact CE1-CB 3.58Å; Y656-E665 HydrophobicContact CE1-CG 3.6Å; Y656-E665 VanDerWaalsContact CE1-OE2 3.28Å; Y656-E665 WeakPolarHBondContact CE1-OE2 3.49Å; Y656-E665 VanDerWaalsContact CZ-OE2 3.29Å; Y656-E665 PolarHBondContact OH-OE2 3.28Å
657	E	98.6	Very high	95.6	Very high	46 Å²	46	47.9 Å²	47.9	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.1	167.1	-178.8	177	70.1	0	0	109.3	I644 Y646 V663 T664 V666	I644-E657 HydrophobicContact CD1-CG 4.3Å; Y646-E657 HydrophobicContact CD1-CB 3.79Å; Y646-E657 HydrophobicContact CD1-CG 4.12Å; Y646-E657 HydrophobicContact CE1-CB 3.58Å; Y646-E657 HydrophobicContact CE1-CG 3.56Å; Y646-E657 WeakPolarHBondContact CE1-OE2 3.26Å; Y646-E657 VanDerWaalsContact CZ-OE2 3.27Å; Y646-E657 PolarHBondContact OH-OE2 3.21Å; E657-V663 WeakPolarHBondContact O-CA 3.38Å; E657-T664 PolarHBondContact N-O 3.03Å; E657-T664 PolarHBondContact O-N 2.65Å; E657-T664 PolarHBondContact OE1-OG1 3.1Å; E657-T664 VanDerWaalsContact OE1-OG1 3.12Å; E657-V666 HydrophobicContact CB-CG1 3.83Å
658	F	98.4	Very high	95.6	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	100.8	176.1	-65.8	-100.5	0	0	0	108.5	L153 Q170 A645 C647 Y656 V663	L153-F658 HydrophobicContact CD2-CZ 4.08Å; Q170-F658 HydrophobicContact CB-CB 4.24Å; Q170-F658 HydrophobicContact CB-CD1 4.41Å; Q170-F658 HydrophobicContact CB-CG 4.21Å; Q170-F658 HydrophobicContact CG-CB 3.91Å; Q170-F658 HydrophobicContact CG-CD1 3.87Å; Q170-F658 HydrophobicContact CG-CG 4Å; Q170-F658 VanDerWaalsContact NE2-CD1 3.3Å; A645-F658 PolarHBondContact N-O 3.34Å; A645-F658 VanDerWaalsContact N-O 3.17Å; A645-F658 PolarHBondContact O-N 2.83Å; C647-F658 HydrophobicContact CB-CD2 4.22Å; C647-F658 HydrophobicContact CB-CE2 3.8Å; Y656-F658 WeakPolarHBondContact O-CD2 3.29Å; F658-V663 HydrophobicContact CD1-CB 4.4Å; F658-V663 HydrophobicContact CD1-CG1 4.01Å; F658-V663 HydrophobicContact CD1-CG2 3.63Å; F658-V663 HydrophobicContact CE1-CB 4.43Å; F658-V663 HydrophobicContact CE1-CG1 3.71Å; F658-V663 HydrophobicContact CE1-CG2 3.8Å; F658-V663 HydrophobicContact CE2-CG1 4.46Å; F658-V663 HydrophobicContact CZ-CG1 3.96Å
659	D	98.2	Very high	95.6	Very high	60 Å²	60	54.1 Å²	54.1	32%	0.321	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	87.6	175.4	179.5	24.7	0	0	0	109.2	H642 I644 Q661 S662	H642-D659 IonicContact CD2-OD1 2.68Å; H642-D659 IonicContact CE1-OD1 2.76Å; H642-D659 IonicContact NE2-OD1 2.75Å; H642-D659 PolarHBondContact NE2-OD1 3.4Å; I644-D659 HydrophobicContact CG2-CB 4.01Å; D659-Q661 PolarHBondContact O-N 2.85Å; D659-S662 PolarHBondContact N-O 2.73Å; D659-S662 WeakPolarHBondContact O-CB 3.4Å; D659-S662 PolarHBondContact O-N 3.28Å
660	D	97.5	Very high	95.7	Very high	18 Å²	18	56.7 Å²	56.7	10%	0.096	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	-105.5	-169	-73.5	-48.9	0	0	0	112.3	G155 L156 N158 C163 N166 H642 S662	G155-D660 CarbonylContact C-O 3.54Å; G155-D660 WeakPolarHBondContact CA-O 3.37Å; L156-D660 PolarHBondContact N-O 3.45Å; L156-D660 CarbonylContact O-C 3.59Å; L156-D660 VanDerWaalsContact O-CA 3.23Å; L156-D660 WeakPolarHBondContact O-CA 3.03Å; L156-D660 WeakPolarHBondContact O-CB 3.47Å; L156-D660 VanDerWaalsContact O-O 3.12Å; N158-D660 HydrophobicContact CB-CB 4.11Å; N158-D660 WeakPolarHBondContact CB-OD2 3.21Å; N158-D660 PolarHBondContact ND2-OD2 2.91Å; C163-D660 WeakPolarHBondContact CA-OD1 3.4Å; N166-D660 WeakPolarHBondContact CB-OD1 3.15Å; N166-D660 PolarHBondContact ND2-OD1 2.76Å; H642-D660 IonicContact CE1-OD2 2.61Å; H642-D660 PolarHBondContact CE1-OD2 3.38Å; D660-S662 VanDerWaalsContact C-N 3.34Å
661	Q	96.9	Very high	96.2	Very high	105 Å²	105	53.4 Å²	53.4	49%	0.491	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.5	-177.4	66.9	-177.7	16.5	0	0	113.7	L156 D659	L156-Q661 PolarHBondContact O-N 2.99Å; D659-Q661 PolarHBondContact O-N 2.85Å
662	S	97.1	Very high	96.6	Very high	53 Å²	53	53.1 Å²	53.1	37%	0.371	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.3	-178.5	-53.7	0	0	0	0	110.1	D659 D660	D659-S662 PolarHBondContact N-O 2.73Å; D659-S662 WeakPolarHBondContact O-CB 3.4Å; D659-S662 PolarHBondContact O-N 3.28Å; D660-S662 VanDerWaalsContact C-N 3.34Å
663	V	97.4	Very high	96.8	Very high	38 Å²	38	56 Å²	56	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.9	172.3	-172.1	0	0	0	0	108.6	L153 Y656 E657 F658	L153-V663 HydrophobicContact CB-CG1 4.43Å; Y656-V663 HydrophobicContact CD1-CG1 4.4Å; E657-V663 WeakPolarHBondContact O-CA 3.38Å; F658-V663 HydrophobicContact CD1-CB 4.4Å; F658-V663 HydrophobicContact CD1-CG1 4.01Å; F658-V663 HydrophobicContact CD1-CG2 3.63Å; F658-V663 HydrophobicContact CE1-CB 4.43Å; F658-V663 HydrophobicContact CE1-CG1 3.71Å; F658-V663 HydrophobicContact CE1-CG2 3.8Å; F658-V663 HydrophobicContact CE2-CG1 4.46Å; F658-V663 HydrophobicContact CZ-CG1 3.96Å
664	T	97.1	Very high	96.9	Very high	61 Å²	61	52.9 Å²	52.9	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.6	-170.9	25.7	0	0	0	0	110.3	Y656 E657	Y656-T664 CarbonylContact C-O 3.59Å; Y656-T664 VanDerWaalsContact CA-O 3.25Å; Y656-T664 WeakPolarHBondContact CA-O 3.46Å; E657-T664 PolarHBondContact N-O 3.03Å; E657-T664 PolarHBondContact O-N 2.65Å; E657-T664 PolarHBondContact OE1-OG1 3.1Å; E657-T664 VanDerWaalsContact OE1-OG1 3.12Å
665	E	97.3	Very high	96.8	Very high	122 Å²	122	51.3 Å²	51.3	57%	0.57	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.2	175	-163.8	167.7	110.2	0	0	110.3	Y656	Y656-E665 HydrophobicContact CD1-CB 3.93Å; Y656-E665 HydrophobicContact CD1-CG 4.18Å; Y656-E665 HydrophobicContact CE1-CB 3.58Å; Y656-E665 HydrophobicContact CE1-CG 3.6Å; Y656-E665 VanDerWaalsContact CE1-OE2 3.28Å; Y656-E665 WeakPolarHBondContact CE1-OE2 3.49Å; Y656-E665 VanDerWaalsContact CZ-OE2 3.29Å; Y656-E665 PolarHBondContact OH-OE2 3.28Å
666	V	98.1	Very high	96.8	Very high	27 Å²	27	51 Å²	51	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.7	-178.4	-62.5	0	0	0	0	112	Y646 W655 E657 T670 V671	Y646-V666 HydrophobicContact CD1-CG2 3.93Å; Y646-V666 HydrophobicContact CE1-CG1 4.44Å; Y646-V666 HydrophobicContact CE1-CG2 4.28Å; W655-V666 HydrophobicContact CB-CG2 3.96Å; W655-V666 PolarHBondContact O-N 3.3Å; E657-V666 HydrophobicContact CB-CG1 3.83Å; V666-T670 HydrophobicContact CB-CG2 4.34Å; V666-T670 HydrophobicContact CG1-CG2 4.47Å; V666-V671 HydrophobicContact CG2-CG2 4.03Å
667	S	97.9	Very high	96.8	Very high	65 Å²	65	50.5 Å²	50.5	46%	0.455	28%	0.277	S	S	.	.			trans	-72.3	150.5	172.2	39.4	0	0	0	0	112.4	S669 T670 V671	S667-S669 WeakPolarHBondContact CB-OG 3.43Å; S667-S669 PolarHBondContact O-N 2.85Å; S667-S669 VanDerWaalsContact O-N 3.14Å; S667-S669 PolarHBondContact OG-OG 3.43Å; S667-T670 WeakPolarHBondContact O-CA 3.49Å; S667-T670 VanDerWaalsContact O-CB 3.24Å; S667-T670 WeakPolarHBondContact O-CB 3.33Å; S667-T670 PolarHBondContact O-N 2.69Å; S667-T670 PolarHBondContact O-OG1 3.09Å; S667-T670 PolarHBondContact OG-OG1 3.5Å; S667-T670 VanDerWaalsContact OG-OG1 3.13Å; S667-V671 PolarHBondContact O-N 2.81Å
668	E	97.1	Very high	96.8	Very high	91 Å²	91	48.3 Å²	48.3	43%	0.425	27%	0.266	S	S	.	.	H	α-helix	trans	-50.4	-36.6	172.4	-72.3	-169.1	161.1	0	0	113.5	L606 T670 V671 Q672	L606-E668 HydrophobicContact CD1-CB 3.58Å; L606-E668 HydrophobicContact CD1-CG 3.75Å; E668-T670 VanDerWaalsContact C-N 3.26Å; E668-T670 PolarHBondContact O-N 3.33Å; E668-V671 PolarHBondContact O-N 3.19Å; E668-Q672 WeakPolarHBondContact O-CG 3.1Å; E668-Q672 PolarHBondContact O-N 3.05Å
669	S	96.3	Very high	96.8	Very high	64 Å²	64	48.2 Å²	48.2	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-28.1	175.3	53.3	0	0	0	0	113.6	S667 N673	S667-S669 WeakPolarHBondContact CB-OG 3.43Å; S667-S669 PolarHBondContact O-N 2.85Å; S667-S669 VanDerWaalsContact O-N 3.14Å; S667-S669 PolarHBondContact OG-OG 3.43Å; S669-N673 PolarHBondContact O-N 3.1Å; S669-N673 PolarHBondContact O-ND2 2.95Å
670	T	97.1	Very high	96.8	Very high	55 Å²	55	45.3 Å²	45.3	34%	0.337	25%	0.25	S	S	.	.	H	α-helix	trans	-69.4	-45.4	173.5	-53	0	0	0	0	109.7	Y646 V666 S667 E668 N673 A674	Y646-T670 HydrophobicContact CE1-CG2 4.36Å; V666-T670 HydrophobicContact CB-CG2 4.34Å; V666-T670 HydrophobicContact CG1-CG2 4.47Å; S667-T670 WeakPolarHBondContact O-CA 3.49Å; S667-T670 VanDerWaalsContact O-CB 3.24Å; S667-T670 WeakPolarHBondContact O-CB 3.33Å; S667-T670 PolarHBondContact O-N 2.69Å; S667-T670 PolarHBondContact O-OG1 3.09Å; S667-T670 PolarHBondContact OG-OG1 3.5Å; S667-T670 VanDerWaalsContact OG-OG1 3.13Å; E668-T670 VanDerWaalsContact C-N 3.26Å; E668-T670 PolarHBondContact O-N 3.33Å; T670-N673 PolarHBondContact O-N 3.32Å; T670-A674 PolarHBondContact O-N 2.7Å
671	V	97.2	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-43.6	179.3	-172.7	0	0	0	0	111.1	F604 L606 L628 V631 Y646 W655 V666 S667 E668 N673 A674	F604-V671 VanDerWaalsContact CZ-O 3.23Å; F604-V671 WeakPolarHBondContact CZ-O 3.35Å; L606-V671 HydrophobicContact CD2-CB 4.45Å; L606-V671 HydrophobicContact CD2-CG1 4.08Å; L628-V671 HydrophobicContact CD2-CG1 4.45Å; V631-V671 HydrophobicContact CG2-CG1 4.12Å; Y646-V671 HydrophobicContact CD1-CG2 4.26Å; Y646-V671 HydrophobicContact CG-CG2 4.23Å; W655-V671 HydrophobicContact CB-CG2 4.09Å; W655-V671 HydrophobicContact CD2-CG1 4.44Å; W655-V671 HydrophobicContact CD2-CG2 3.87Å; W655-V671 HydrophobicContact CE3-CB 4.49Å; W655-V671 HydrophobicContact CE3-CG1 4.03Å; W655-V671 HydrophobicContact CE3-CG2 3.81Å; W655-V671 HydrophobicContact CG-CG2 4.01Å; W655-V671 HydrophobicContact CH2-CG1 4.26Å; W655-V671 HydrophobicContact CZ3-CG1 3.93Å; V666-V671 HydrophobicContact CG2-CG2 4.03Å; S667-V671 PolarHBondContact O-N 2.81Å; E668-V671 PolarHBondContact O-N 3.19Å; V671-N673 PolarHBondContact O-N 3.49Å; V671-A674 VanDerWaalsContact O-CB 3.28Å; V671-A674 WeakPolarHBondContact O-CB 3.26Å; V671-A674 PolarHBondContact O-N 2.9Å; V671-A674 VanDerWaalsContact O-N 3.14Å
672	Q	94.6	Very high	96.9	Very high	83 Å²	83	41.4 Å²	41.4	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-22.4	179.3	-73.6	172.8	5.2	0	0	114.9	L606 E668	L606-Q672 HydrophobicContact CD1-CG 3.87Å; L606-Q672 HydrophobicContact CD2-CG 3.92Å; L606-Q672 HydrophobicContact CG-CG 3.76Å; E668-Q672 WeakPolarHBondContact O-CG 3.1Å; E668-Q672 PolarHBondContact O-N 3.05Å
673	N	93.1	Very high	96.8	Very high	115 Å²	115	39.6 Å²	39.6	62%	0.615	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	4.1	179	-72.2	-79.7	0	0	0	113	S669 T670 V671	S669-N673 PolarHBondContact O-N 3.1Å; S669-N673 PolarHBondContact O-ND2 2.95Å; T670-N673 PolarHBondContact O-N 3.32Å; V671-N673 PolarHBondContact O-N 3.49Å
674	A	94	Very high	96.5	Very high	11 Å²	11	39.1 Å²	39.1	9%	0.091	21%	0.214	C	C	.	.	S	Bend	trans	-74	147	-175.8	0	0	0	0	0	112.2	Y646 T670 V671 A676	Y646-A674 HydrophobicContact CD2-CB 3.97Å; Y646-A674 HydrophobicContact CE2-CB 3.69Å; T670-A674 PolarHBondContact O-N 2.7Å; V671-A674 VanDerWaalsContact O-CB 3.28Å; V671-A674 WeakPolarHBondContact O-CB 3.26Å; V671-A674 PolarHBondContact O-N 2.9Å; V671-A674 VanDerWaalsContact O-N 3.14Å; A674-A676 PolarHBondContact O-N 2.89Å
675	E	93.8	Very high	96.3	Very high	41 Å²	41	36.9 Å²	36.9	19%	0.192	20%	0.201	C	C	.	.			trans	-77.6	66.3	177.8	-158.2	-163.3	154	0	0	111.6	R587 K597 Y677	R587-E675 IonicContact CZ-OE1 3.76Å; R587-E675 IonicContact NE-OE1 2.62Å; R587-E675 IonicContact NH1-OE1 2.66Å; R587-E675 PolarHBondContact NH1-OE1 3.39Å; K597-E675 WeakPolarHBondContact CE-OE1 3.36Å; K597-E675 IonicContact NZ-OE1 2.91Å; K597-E675 PolarHBondContact NZ-OE1 2.81Å; K597-E675 IonicContact NZ-OE2 2.68Å; K597-E675 PolarHBondContact NZ-OE2 2.97Å; E675-Y677 PolarHBondContact O-N 2.91Å
676	A	97.3	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	128.2	-174.8	0	0	0	0	0	112.4	R587 F604 V631 A674 L679	R587-A676 VanDerWaalsContact CZ-O 3.26Å; R587-A676 PolarHBondContact NE-O 2.91Å; R587-A676 PolarHBondContact NH2-O 2.82Å; F604-A676 HydrophobicContact CD1-CB 4.08Å; F604-A676 HydrophobicContact CE1-CB 3.49Å; F604-A676 VanDerWaalsContact CE1-CB 3.49Å; F604-A676 HydrophobicContact CZ-CB 4Å; V631-A676 HydrophobicContact CG1-CB 3.41Å; V631-A676 VanDerWaalsContact CG1-CB 3.41Å; A674-A676 PolarHBondContact O-N 2.89Å; A676-L679 HydrophobicContact CB-CD1 4.04Å; A676-L679 HydrophobicContact CB-CD2 4.11Å; A676-L679 HydrophobicContact CB-CG 4.07Å
677	Y	98.1	Very high	95.4	Very high	3 Å²	3	40 Å²	40	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-47.3	177.8	174.8	-116.1	0	0	0	111.5	D240 A241 Q242 H584 L585 R587 F588 I632 Y643 E675	D240-Y677 PolarHBondContact OD1-OH 2.95Å; D240-Y677 PolarHBondContact OD2-OH 2.9Å; D240-Y677 VanDerWaalsContact OD2-OH 3.13Å; A241-Y677 HydrophobicContact CB-CE1 4.42Å; Q242-Y677 HydrophobicContact CB-CE1 4.26Å; H584-Y677 AromaticContact CD2-CE2 3.38Å; H584-Y677 WeakPolarHBondContact CD2-CE2 3.22Å; H584-Y677 AromaticContact CD2-CZ 3.55Å; H584-Y677 PolarHBondContact CD2-OH 3.44Å; H584-Y677 AromaticContact NE2-CE2 3.28Å; H584-Y677 VanDerWaalsContact NE2-CE2 3.28Å; H584-Y677 WeakPolarHBondContact NE2-CE2 3.35Å; H584-Y677 AromaticContact NE2-CZ 3.47Å; H584-Y677 PolarHBondContact NE2-OH 2.92Å; L585-Y677 PolarHBondContact N-O 3.17Å; R587-Y677 HydrophobicContact CB-CD2 4.28Å; R587-Y677 HydrophobicContact CG-CD2 4.35Å; F588-Y677 HydrophobicContact CD2-CE2 4.1Å; F588-Y677 HydrophobicContact CE2-CD2 4.33Å; F588-Y677 AromaticContact CE2-CE2 3.77Å; F588-Y677 HydrophobicContact CE2-CE2 3.77Å; F588-Y677 AromaticContact CE2-CZ 3.99Å; I632-Y677 WeakPolarHBondContact O-CA 3.5Å; I632-Y677 WeakPolarHBondContact O-CB 3.18Å; I632-Y677 PolarHBondContact O-N 2.6Å; Y643-Y677 AromaticContact CE1-CD1 3.69Å; Y643-Y677 HydrophobicContact CE1-CD1 3.69Å; Y643-Y677 HydrophobicContact CE1-CE1 4Å; E675-Y677 PolarHBondContact O-N 2.91Å
678	V	98.6	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.9	168.3	-177.1	0	0	0	0	109.1	Q242 L245 C582 I583 H584 V631 I632 F680	Q242-V678 HydrophobicContact CB-CG2 4.19Å; L245-V678 HydrophobicContact CD1-CG1 4.12Å; C582-V678 VanDerWaalsContact SG-CG1 3.53Å; I583-V678 CarbonylContact O-C 3.15Å; I583-V678 VanDerWaalsContact O-CA 3.27Å; I583-V678 WeakPolarHBondContact O-CA 3.15Å; H584-V678 HydrophobicContact CB-CG2 4.29Å; V631-V678 CarbonylContact C-O 3.56Å; V631-V678 WeakPolarHBondContact CA-O 3.43Å; I632-V678 HydrophobicContact CB-CB 4.19Å; I632-V678 HydrophobicContact CD1-CB 4.29Å; I632-V678 PolarHBondContact N-O 2.95Å; I632-V678 PolarHBondContact O-N 3.5Å; V678-F680 HydrophobicContact CG1-CD2 4.29Å; V678-F680 HydrophobicContact CG1-CE2 3.79Å; V678-F680 HydrophobicContact CG1-CZ 4.44Å
679	L	98.7	Very high	94.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.5	177.6	-54.2	94.3	0	0	0	109.8	I583 L585 F604 L628 S630 V631 A676 Y681	I583-L679 PolarHBondContact N-O 2.76Å; I583-L679 PolarHBondContact O-N 3.03Å; L585-L679 HydrophobicContact CD1-CD1 4.06Å; L585-L679 HydrophobicContact CG-CD1 4.1Å; F604-L679 HydrophobicContact CB-CD2 3.94Å; F604-L679 HydrophobicContact CD1-CD2 3.87Å; F604-L679 HydrophobicContact CD2-CD2 3.65Å; F604-L679 HydrophobicContact CE1-CD2 4.31Å; F604-L679 HydrophobicContact CE2-CD2 4.09Å; F604-L679 HydrophobicContact CG-CD2 3.53Å; F604-L679 HydrophobicContact CZ-CD2 4.39Å; L628-L679 HydrophobicContact CD1-CB 3.96Å; L628-L679 HydrophobicContact CD1-CD2 4.04Å; S630-L679 WeakPolarHBondContact O-CA 3.31Å; V631-L679 HydrophobicContact CG1-CG 4.49Å; V631-L679 HydrophobicContact CG2-CD2 4.34Å; A676-L679 HydrophobicContact CB-CD1 4.04Å; A676-L679 HydrophobicContact CB-CD2 4.11Å; A676-L679 HydrophobicContact CB-CG 4.07Å; L679-Y681 HydrophobicContact CB-CD2 4.14Å; L679-Y681 HydrophobicContact CB-CE2 3.87Å; L679-Y681 HydrophobicContact CD2-CE2 4.04Å
680	F	98.7	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.9	172.5	-71.1	-102.2	0	0	0	109.6	A171 L172 L245 F448 I580 C582 L629 S630 I632 V678	A171-F680 HydrophobicContact CB-CD2 3.87Å; A171-F680 HydrophobicContact CB-CE2 3.6Å; A171-F680 HydrophobicContact CB-CZ 4.29Å; L172-F680 HydrophobicContact CD2-CE1 3.92Å; L172-F680 HydrophobicContact CD2-CZ 4.23Å; L245-F680 HydrophobicContact CD1-CE2 4.01Å; L245-F680 HydrophobicContact CD1-CZ 3.74Å; L245-F680 HydrophobicContact CD2-CZ 3.89Å; L245-F680 HydrophobicContact CG-CZ 4.47Å; F448-F680 HydrophobicContact CE1-CD1 4.24Å; F448-F680 HydrophobicContact CE1-CE1 4.07Å; I580-F680 HydrophobicContact CG2-CB 4.37Å; I580-F680 HydrophobicContact CG2-CD1 3.95Å; C582-F680 HydrophobicContact CB-CD1 4.48Å; C582-F680 HydrophobicContact CB-CE1 4.29Å; L629-F680 HydrophobicContact CB-CB 4.47Å; L629-F680 PolarHBondContact N-O 2.89Å; S630-F680 PolarHBondContact N-O 2.96Å; S630-F680 PolarHBondContact O-N 3.21Å; S630-F680 WeakPolarHBondContact OG-CB 3.47Å; S630-F680 WeakPolarHBondContact OG-CD2 3.34Å; I632-F680 HydrophobicContact CD1-CE2 4.26Å; V678-F680 HydrophobicContact CG1-CD2 4.29Å; V678-F680 HydrophobicContact CG1-CE2 3.79Å; V678-F680 HydrophobicContact CG1-CZ 4.44Å
681	Y	98.4	Very high	93.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.4	-178.5	-86.4	-81.2	0	0	0	110.2	L538 I580 L581 I583 P605 L609 D627 L628 L679	L538-Y681 HydrophobicContact CD2-CE2 3.64Å; I580-Y681 CarbonylContact C-O 3.58Å; I580-Y681 VanDerWaalsContact CA-O 3.28Å; I580-Y681 WeakPolarHBondContact CA-O 3.47Å; L581-Y681 PolarHBondContact N-O 2.94Å; L581-Y681 PolarHBondContact O-N 2.86Å; I583-Y681 HydrophobicContact CD1-CD2 3.94Å; I583-Y681 HydrophobicContact CD1-CE2 4.19Å; P605-Y681 WeakPolarHBondContact O-CE1 3.29Å; P605-Y681 PolarHBondContact O-OH 2.7Å; L609-Y681 HydrophobicContact CB-CD1 4.23Å; L609-Y681 HydrophobicContact CB-CE1 3.93Å; L609-Y681 HydrophobicContact CD2-CD1 3.79Å; L609-Y681 HydrophobicContact CD2-CD2 3.94Å; L609-Y681 HydrophobicContact CD2-CE1 3.67Å; L609-Y681 HydrophobicContact CD2-CE2 3.79Å; L609-Y681 HydrophobicContact CD2-CG 3.93Å; L609-Y681 HydrophobicContact CG-CE1 4.45Å; D627-Y681 VanDerWaalsContact C-CD1 3.49Å; D627-Y681 CarbonylContact O-C 3.55Å; D627-Y681 WeakPolarHBondContact O-CA 3.36Å; L628-Y681 HydrophobicContact CB-CD1 4.15Å; L628-Y681 HydrophobicContact CB-CE1 3.74Å; L628-Y681 HydrophobicContact CD1-CD1 4.22Å; L628-Y681 HydrophobicContact CD1-CD2 3.92Å; L628-Y681 HydrophobicContact CD1-CE1 3.85Å; L628-Y681 HydrophobicContact CD1-CE2 3.54Å; L628-Y681 HydrophobicContact CD1-CG 4.24Å; L628-Y681 VanDerWaalsContact CD1-CZ 3.49Å; L628-Y681 HydrophobicContact CG-CE1 4.37Å; L679-Y681 HydrophobicContact CB-CD2 4.14Å; L679-Y681 HydrophobicContact CB-CE2 3.87Å; L679-Y681 HydrophobicContact CD2-CE2 4.04Å
682	R	96.5	Very high	93.1	Very high	40 Å²	40	38.4 Å²	38.4	15%	0.151	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	150.7	170	61.5	163.6	174.1	-144.3	0.4	111.7	I580 Y626 D627 L629 N650	I580-R682 HydrophobicContact CD1-CB 3.54Å; Y626-R682 CarbonylContact C-O 3.44Å; Y626-R682 WeakPolarHBondContact CA-O 3.48Å; Y626-R682 WeakPolarHBondContact CB-O 3.44Å; Y626-R682 WeakPolarHBondContact CD1-O 3.41Å; D627-R682 HydrophobicContact CB-CG 4.2Å; D627-R682 PolarHBondContact N-O 3.22Å; D627-R682 WeakPolarHBondContact O-CG 3.41Å; D627-R682 PolarHBondContact O-N 2.93Å; L629-R682 HydrophobicContact CD1-CB 3.99Å; L629-R682 HydrophobicContact CD1-CG 4.46Å; L629-R682 HydrophobicContact CD2-CB 4.35Å; L629-R682 HydrophobicContact CD2-CG 3.92Å; L629-R682 HydrophobicContact CG-CB 4.03Å; L629-R682 HydrophobicContact CG-CG 4Å; N650-R682 PolarHBondContact OD1-NH1 3.28Å
683	K	95.4	Very high	92.6	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	147	161.5	-77.5	-175.3	176.3	171.9	0	110.7	F577 P578 E579 I623 Y626 A723 E724	F577-K683 PolarHBondContact O-NZ 3.44Å; P578-K683 WeakPolarHBondContact O-CE 3.47Å; E579-K683 PolarHBondContact O-N 3.03Å; I623-K683 HydrophobicContact CG2-CB 4.06Å; I623-K683 HydrophobicContact CG2-CD 4.13Å; I623-K683 HydrophobicContact CG2-CG 4.2Å; Y626-K683 HydrophobicContact CD1-CG 4.37Å; Y626-K683 HydrophobicContact CE1-CB 4.35Å; Y626-K683 HydrophobicContact CE1-CG 3.58Å; Y626-K683 HydrophobicContact CE2-CG 4.04Å; Y626-K683 WeakPolarHBondContact OH-CE 3.5Å; Y626-K683 VanDerWaalsContact OH-CG 3.23Å; Y626-K683 WeakPolarHBondContact OH-CG 3.34Å; K683-A723 HydrophobicContact CB-CB 3.59Å; K683-A723 HydrophobicContact CD-CB 4.27Å; K683-E724 IonicContact NZ-OE2 3.65Å; K683-E724 PolarHBondContact NZ-OE2 3.09Å
684	S	92.3	Very high	92.2	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	18%	0.184	C	C	.	.			trans	-123.2	133.3	175.2	-155.5	0	0	0	0	111.5	I623 T625 D627	I623-S684 VanDerWaalsContact CG2-O 3.26Å; I623-S684 WeakPolarHBondContact CG2-O 3.48Å; T625-S684 PolarHBondContact O-N 2.98Å; D627-S684 WeakPolarHBondContact OD2-CB 3.26Å; D627-S684 PolarHBondContact OD2-OG 2.91Å
685	S	91.3	Very high	91.7	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	18%	0.181	C	C	.	.			trans	-152.2	122.5	172.4	169	0	0	0	0	109.1	E687 A688 Q689	S685-E687 PolarHBondContact O-N 2.86Å; S685-E687 PolarHBondContact OG-N 2.8Å; S685-E687 PolarHBondContact OG-OE2 2.88Å; S685-A688 PolarHBondContact OG-N 3.24Å; S685-Q689 WeakPolarHBondContact O-CG 3.1Å; S685-Q689 PolarHBondContact O-N 3.33Å
686	E	88.4	Confident	91.1	Very high	119 Å²	119	39.4 Å²	39.4	56%	0.556	18%	0.175	S	C	*	.	H	α-helix	trans	-66.6	-30.7	173.3	-62.7	-171.4	-171.4	0	0	111.3	Q689 K690	E686-Q689 CarbonylContact O-C 3.59Å; E686-Q689 PolarHBondContact O-N 2.96Å; E686-K690 HydrophobicContact CB-CD 4.29Å; E686-K690 WeakPolarHBondContact O-CB 3.45Å; E686-K690 VanDerWaalsContact O-CD 3.32Å; E686-K690 WeakPolarHBondContact O-CD 3.45Å; E686-K690 WeakPolarHBondContact O-CG 3.45Å; E686-K690 PolarHBondContact O-N 3.33Å; E686-K690 WeakPolarHBondContact OE2-CE 3.09Å; E686-K690 IonicContact OE2-NZ 3.64Å; E686-K690 PolarHBondContact OE2-NZ 3.35Å
687	E	88.8	Confident	90.2	Very high	94 Å²	94	44.1 Å²	44.1	44%	0.439	20%	0.2	S	C	.	.	H	α-helix	trans	-67.2	-41.4	-175.2	-68.5	52.3	-112.7	0	0	110.6	S685 K690 E691	S685-E687 PolarHBondContact O-N 2.86Å; S685-E687 PolarHBondContact OG-N 2.8Å; S685-E687 PolarHBondContact OG-OE2 2.88Å; E687-K690 PolarHBondContact O-N 3.39Å; E687-K690 IonicContact OE1-NZ 3.93Å; E687-K690 PolarHBondContact OE1-NZ 2.96Å; E687-E691 PolarHBondContact O-N 2.82Å
688	A	87.8	Confident	89.1	Confident	7 Å²	7	46.1 Å²	46.1	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-46	170.9	0	0	0	0	0	111.2	S685 K690 E691 R692	S685-A688 PolarHBondContact OG-N 3.24Å; A688-K690 VanDerWaalsContact C-N 3.34Å; A688-K690 PolarHBondContact O-N 3.31Å; A688-E691 PolarHBondContact O-N 3.42Å; A688-R692 VanDerWaalsContact O-CG 3.32Å; A688-R692 WeakPolarHBondContact O-CG 3.45Å; A688-R692 PolarHBondContact O-N 3.11Å
689	Q	87	Confident	87.7	Confident	75 Å²	75	47.3 Å²	47.3	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-33.4	177.6	-65.3	176.5	9.9	0	0	113.4	S685 E686 R693	S685-Q689 WeakPolarHBondContact O-CG 3.1Å; S685-Q689 PolarHBondContact O-N 3.33Å; E686-Q689 CarbonylContact O-C 3.59Å; E686-Q689 PolarHBondContact O-N 2.96Å; Q689-R693 WeakPolarHBondContact O-CG 3.49Å; Q689-R693 PolarHBondContact O-N 3.18Å; Q689-R693 PolarHBondContact O-NE 2.92Å
690	K	88.1	Confident	86	Confident	95 Å²	95	49.6 Å²	49.6	41%	0.413	23%	0.229	S	C	.	.	H	α-helix	trans	-69.4	-43.9	175.5	-72	157.1	-169.9	158	0	110.4	E686 E687 A688 R694	E686-K690 HydrophobicContact CB-CD 4.29Å; E686-K690 WeakPolarHBondContact O-CB 3.45Å; E686-K690 VanDerWaalsContact O-CD 3.32Å; E686-K690 WeakPolarHBondContact O-CD 3.45Å; E686-K690 WeakPolarHBondContact O-CG 3.45Å; E686-K690 PolarHBondContact O-N 3.33Å; E686-K690 WeakPolarHBondContact OE2-CE 3.09Å; E686-K690 IonicContact OE2-NZ 3.64Å; E686-K690 PolarHBondContact OE2-NZ 3.35Å; E687-K690 PolarHBondContact O-N 3.39Å; E687-K690 IonicContact OE1-NZ 3.93Å; E687-K690 PolarHBondContact OE1-NZ 2.96Å; A688-K690 VanDerWaalsContact C-N 3.34Å; A688-K690 PolarHBondContact O-N 3.31Å; K690-R694 WeakPolarHBondContact O-CB 3.28Å; K690-R694 PolarHBondContact O-N 2.82Å
691	E	85.9	Confident	84.3	Confident	15 Å²	15	54.5 Å²	54.5	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-70.5	-41.1	178.8	-163.8	67.7	-117.8	0	0	112.5	E687 A688 R693 R694 I695 R766	E687-E691 PolarHBondContact O-N 2.82Å; A688-E691 PolarHBondContact O-N 3.42Å; E691-R693 VanDerWaalsContact C-N 3.34Å; E691-R693 PolarHBondContact O-N 3.13Å; E691-R694 WeakPolarHBondContact O-CB 3.35Å; E691-R694 PolarHBondContact O-N 2.88Å; E691-R694 VanDerWaalsContact O-N 3.09Å; E691-R694 WeakPolarHBondContact OE1-CD 3.48Å; E691-R694 IonicContact OE1-CZ 3.06Å; E691-R694 IonicContact OE1-NE 3.73Å; E691-R694 IonicContact OE1-NH1 3.29Å; E691-R694 PolarHBondContact OE1-NH1 2.89Å; E691-R694 IonicContact OE2-NH1 3.58Å; E691-I695 HydrophobicContact CG-CG1 4.33Å; E691-I695 WeakPolarHBondContact O-CG1 2.95Å; E691-I695 PolarHBondContact O-N 2.85Å; E691-R766 IonicContact OE2-CZ 2.73Å; E691-R766 IonicContact OE2-NE 2.9Å; E691-R766 IonicContact OE2-NH1 3.73Å; E691-R766 PolarHBondContact OE2-NH1 3.01Å
692	R	87.6	Confident	82.1	Confident	50 Å²	50	62 Å²	62	19%	0.189	29%	0.291	C	S	.	.	H	α-helix	trans	-55.4	-47.9	174.6	-71.6	173.9	-163	162.2	6.2	111.9	A688 R694 I695 S696 F719 K720 T721 F722	A688-R692 VanDerWaalsContact O-CG 3.32Å; A688-R692 WeakPolarHBondContact O-CG 3.45Å; A688-R692 PolarHBondContact O-N 3.11Å; R692-R694 VanDerWaalsContact C-N 3.35Å; R692-R694 PolarHBondContact O-N 2.74Å; R692-I695 PolarHBondContact O-N 2.84Å; R692-S696 WeakPolarHBondContact O-CB 3.47Å; R692-S696 PolarHBondContact O-N 3.08Å; R692-F719 HydrophobicContact CB-CZ 4.47Å; R692-F719 HydrophobicContact CG-CE1 4.11Å; R692-F719 HydrophobicContact CG-CE2 4.41Å; R692-F719 HydrophobicContact CG-CZ 3.96Å; R692-F719 PolarHBondContact NE-O 3.3Å; R692-K720 WeakPolarHBondContact CD-O 3.48Å; R692-K720 PolarHBondContact NE-O 2.84Å; R692-K720 PolarHBondContact NH1-O 3.07Å; R692-K720 VanDerWaalsContact NH1-O 3.16Å; R692-T721 PolarHBondContact NH2-O 3.44Å; R692-F722 PolarHBondContact NH2-O 2.83Å
693	R	84.9	Confident	80.2	Confident	134 Å²	134	66.1 Å²	66.1	51%	0.506	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-41	174.8	-76.5	178.1	-75.7	-175.7	-7.1	112.1	Q689 E691 S696 N697	Q689-R693 WeakPolarHBondContact O-CG 3.49Å; Q689-R693 PolarHBondContact O-N 3.18Å; Q689-R693 PolarHBondContact O-NE 2.92Å; E691-R693 VanDerWaalsContact C-N 3.34Å; E691-R693 PolarHBondContact O-N 3.13Å; R693-S696 PolarHBondContact O-N 3.4Å; R693-N697 WeakPolarHBondContact O-CB 3.4Å; R693-N697 PolarHBondContact O-N 3.31Å; R693-N697 PolarHBondContact O-OD1 2.95Å; R693-N697 VanDerWaalsContact O-OD1 3.07Å
694	R	84.9	Confident	78.3	Confident	123 Å²	123	71.6 Å²	71.6	46%	0.464	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176	178.1	171.7	172.7	-120.5	-4.5	112.6	K690 E691 R692 N697 L698 N762	K690-R694 WeakPolarHBondContact O-CB 3.28Å; K690-R694 PolarHBondContact O-N 2.82Å; E691-R694 WeakPolarHBondContact O-CB 3.35Å; E691-R694 PolarHBondContact O-N 2.88Å; E691-R694 VanDerWaalsContact O-N 3.09Å; E691-R694 WeakPolarHBondContact OE1-CD 3.48Å; E691-R694 IonicContact OE1-CZ 3.06Å; E691-R694 IonicContact OE1-NE 3.73Å; E691-R694 IonicContact OE1-NH1 3.29Å; E691-R694 PolarHBondContact OE1-NH1 2.89Å; E691-R694 IonicContact OE2-NH1 3.58Å; R692-R694 VanDerWaalsContact C-N 3.35Å; R692-R694 PolarHBondContact O-N 2.74Å; R694-N697 PolarHBondContact O-N 2.9Å; R694-L698 HydrophobicContact CG-CD1 4.21Å; R694-L698 VanDerWaalsContact O-CG 3.3Å; R694-L698 WeakPolarHBondContact O-CG 3.13Å; R694-L698 PolarHBondContact O-N 3.19Å; R694-L698 VanDerWaalsContact O-N 3.13Å; R694-N762 PolarHBondContact NH2-OD1 2.94Å
695	I	83.6	Confident	76.9	Confident	5 Å²	5	72 Å²	72	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-42.3	178.2	-65.3	-65.2	0	0	0	110.9	E691 R692 N697 L698 L699 F719 I759 N762 L763	E691-I695 HydrophobicContact CG-CG1 4.33Å; E691-I695 WeakPolarHBondContact O-CG1 2.95Å; E691-I695 PolarHBondContact O-N 2.85Å; R692-I695 PolarHBondContact O-N 2.84Å; I695-N697 PolarHBondContact O-N 3.06Å; I695-L698 HydrophobicContact CD1-CD1 4.45Å; I695-L698 PolarHBondContact O-N 2.8Å; I695-L698 VanDerWaalsContact O-N 3.15Å; I695-L699 HydrophobicContact CG2-CD1 4.11Å; I695-L699 WeakPolarHBondContact O-CD1 3.35Å; I695-L699 PolarHBondContact O-N 2.82Å; I695-L699 VanDerWaalsContact O-N 3.15Å; I695-F719 HydrophobicContact CB-CE1 4.25Å; I695-F719 HydrophobicContact CB-CZ 4.02Å; I695-F719 HydrophobicContact CG1-CE1 4.44Å; I695-F719 HydrophobicContact CG1-CZ 3.78Å; I695-F719 HydrophobicContact CG2-CE1 4.18Å; I695-F719 HydrophobicContact CG2-CZ 4.36Å; I695-I759 HydrophobicContact CG2-CG2 4.08Å; I695-N762 HydrophobicContact CD1-CB 3.88Å; I695-L763 HydrophobicContact CD1-CD2 3.99Å; I695-L763 HydrophobicContact CD1-CG 4.28Å; I695-L763 HydrophobicContact CG1-CD2 4.03Å
696	S	79.8	Confident	75.7	Confident	10 Å²	10	77.6 Å²	77.6	7%	0.07	38%	0.38	C	S	.	.	H	α-helix	trans	-52.7	-55.7	171.7	-156	0	0	0	0	110.7	R692 R693 L698 L699 N700	R692-S696 WeakPolarHBondContact O-CB 3.47Å; R692-S696 PolarHBondContact O-N 3.08Å; R693-S696 PolarHBondContact O-N 3.4Å; S696-L698 PolarHBondContact O-N 2.65Å; S696-L698 VanDerWaalsContact O-N 3.09Å; S696-L699 WeakPolarHBondContact O-CB 3.15Å; S696-L699 PolarHBondContact O-N 2.95Å; S696-N700 PolarHBondContact O-N 2.88Å; S696-N700 PolarHBondContact O-OD1 3.22Å; S696-N700 VanDerWaalsContact O-OD1 3.09Å
697	N	78.8	Confident	74.8	Confident	99 Å²	99	74.4 Å²	74.4	53%	0.529	37%	0.366	S	S	.	.	H	α-helix	trans	-61	-24.4	-179.6	-65.7	8.6	0	0	0	113.9	R693 R694 I695 I701	R693-N697 WeakPolarHBondContact O-CB 3.4Å; R693-N697 PolarHBondContact O-N 3.31Å; R693-N697 PolarHBondContact O-OD1 2.95Å; R693-N697 VanDerWaalsContact O-OD1 3.07Å; R694-N697 PolarHBondContact O-N 2.9Å; I695-N697 PolarHBondContact O-N 3.06Å; N697-I701 WeakPolarHBondContact O-CG1 3.21Å
698	L	75.4	Confident	74.3	Confident	44 Å²	44	73.9 Å²	73.9	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-80.9	-28.7	176.9	-75.1	169.5	0	0	0	112.7	R694 I695 S696 N700 I701 I759	R694-L698 HydrophobicContact CG-CD1 4.21Å; R694-L698 VanDerWaalsContact O-CG 3.3Å; R694-L698 WeakPolarHBondContact O-CG 3.13Å; R694-L698 PolarHBondContact O-N 3.19Å; R694-L698 VanDerWaalsContact O-N 3.13Å; I695-L698 HydrophobicContact CD1-CD1 4.45Å; I695-L698 PolarHBondContact O-N 2.8Å; I695-L698 VanDerWaalsContact O-N 3.15Å; S696-L698 PolarHBondContact O-N 2.65Å; S696-L698 VanDerWaalsContact O-N 3.09Å; L698-N700 VanDerWaalsContact C-N 3.33Å; L698-I701 PolarHBondContact O-N 3.48Å; L698-I759 HydrophobicContact CB-CD1 3.53Å
699	L	69.1	Low	74.3	Confident	26 Å²	26	73.6 Å²	73.6	14%	0.136	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-37.4	175.3	-73.6	148.6	0	0	0	111.3	L138 I695 S696 I701 I759	L138-L699 HydrophobicContact CB-CD1 3.94Å; L138-L699 HydrophobicContact CD1-CD1 3.59Å; L138-L699 HydrophobicContact CD1-CD2 3.55Å; L138-L699 HydrophobicContact CD1-CG 4.21Å; L138-L699 HydrophobicContact CD2-CD1 4.19Å; L138-L699 HydrophobicContact CG-CD1 4.12Å; I695-L699 HydrophobicContact CG2-CD1 4.11Å; I695-L699 WeakPolarHBondContact O-CD1 3.35Å; I695-L699 PolarHBondContact O-N 2.82Å; I695-L699 VanDerWaalsContact O-N 3.15Å; S696-L699 WeakPolarHBondContact O-CB 3.15Å; S696-L699 PolarHBondContact O-N 2.95Å; L699-I701 PolarHBondContact O-N 2.88Å; L699-I701 VanDerWaalsContact O-N 3.14Å; L699-I759 HydrophobicContact CD2-CD1 4.2Å; L699-I759 HydrophobicContact CD2-CG1 3.75Å; L699-I759 HydrophobicContact CD2-CG2 4.38Å; L699-I759 HydrophobicContact CG-CD1 3.91Å; L699-I759 HydrophobicContact CG-CG1 4.04Å
700	N	63.8	Low	74.5	Confident	48 Å²	48	71.3 Å²	71.3	26%	0.257	35%	0.35	S	S	.	.	S	Bend	trans	-61.8	-21.6	175.7	-59.4	18.3	0	0	0	112.8	F135 E141 S696 L698 M702	F135-N700 HydrophobicContact CE1-CB 3.94Å; F135-N700 HydrophobicContact CZ-CB 4.4Å; E141-N700 PolarHBondContact OE1-ND2 3.23Å; S696-N700 PolarHBondContact O-N 2.88Å; S696-N700 PolarHBondContact O-OD1 3.22Å; S696-N700 VanDerWaalsContact O-OD1 3.09Å; L698-N700 VanDerWaalsContact C-N 3.33Å; N700-M702 PolarHBondContact O-N 3.46Å
701	I	62.3	Low	74.6	Confident	103 Å²	103	66.8 Å²	66.8	53%	0.528	33%	0.33	S	S	.	.	S	Bend	trans	-94.7	77.8	177.4	-54.1	170.8	0	0	0	108.2	N697 L698 L699 E703	N697-I701 WeakPolarHBondContact O-CG1 3.21Å; L698-I701 PolarHBondContact O-N 3.48Å; L699-I701 PolarHBondContact O-N 2.88Å; L699-I701 VanDerWaalsContact O-N 3.14Å; I701-E703 PolarHBondContact O-N 3.47Å
702	M	51.9	Low	74.9	Confident	156 Å²	156	66.1 Å²	66.1	77%	0.768	33%	0.327	S	S	*	.			trans	-63.9	87.5	180	-71.8	-171.4	73.4	0	0	113	F135 N700	F135-M702 HydrophobicContact CE2-CG 3.96Å; F135-M702 HydrophobicContact CE2-SD 3.83Å; F135-M702 HydrophobicContact CZ-CG 4.34Å; N700-M702 PolarHBondContact O-N 3.46Å
703	E	56.9	Low	75.1	Confident	128 Å²	128	65.2 Å²	65.2	60%	0.598	32%	0.324	S	S	*	.			trans	-86	128.7	165.9	-69.2	-163.3	138	0	0	111.4	I701 S705	I701-E703 PolarHBondContact O-N 3.47Å; E703-S705 PolarHBondContact O-N 2.67Å
704	P	56.4	Low	75.3	Confident	129 Å²	129	60.7 Å²	60.7	84%	0.838	31%	0.309	S	S	*	.			trans	-70	93.3	179.5	28.1	-34.1	0	0	0	111.3
705	S	63.2	Low	75.7	Confident	39 Å²	39	55.3 Å²	55.3	27%	0.273	29%	0.288	S	S	.	.			trans	-71.7	141.5	178.2	-63.9	0	0	0	0	112	E703 L707 Q757	E703-S705 PolarHBondContact O-N 2.67Å; S705-L707 VanDerWaalsContact C-N 3.33Å; S705-L707 VanDerWaalsContact CB-O 3.22Å; S705-L707 WeakPolarHBondContact CB-O 3.14Å; S705-Q757 PolarHBondContact OG-N 3.01Å
706	L	64.3	Low	76	Confident	131 Å²	131	55.3 Å²	55.3	69%	0.686	29%	0.288	S	S	*	.	S	Bend	trans	-77.3	-19.4	174.3	-73.3	172.3	0	0	0	113.2
707	L	70.3	Confident	76.6	Confident	51 Å²	51	55 Å²	55	27%	0.267	29%	0.286	S	S	.	.			trans	-123.3	150.8	175.5	-63	175.1	0	0	0	109.6	S705 F709 Q757	S705-L707 VanDerWaalsContact C-N 3.33Å; S705-L707 VanDerWaalsContact CB-O 3.22Å; S705-L707 WeakPolarHBondContact CB-O 3.14Å; L707-F709 HydrophobicContact CB-CD2 4.47Å; L707-F709 HydrophobicContact CB-CE2 3.79Å; L707-F709 HydrophobicContact CB-CZ 4.39Å; L707-F709 HydrophobicContact CD1-CE2 4.31Å; L707-F709 HydrophobicContact CD1-CZ 4.19Å; L707-Q757 HydrophobicContact CB-CB 4.49Å
708	Q	79.2	Confident	77.3	Confident	84 Å²	84	51 Å²	51	39%	0.393	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.6	173.1	-68.7	174.8	-34.6	0	0	107.6	M754 L755 N774	Q708-M754 HydrophobicContact CB-CE 4.08Å; Q708-L755 CarbonylContact C-O 3.56Å; Q708-L755 WeakPolarHBondContact CA-O 3.23Å; Q708-N774 VanDerWaalsContact O-CA 3.29Å; Q708-N774 WeakPolarHBondContact O-CA 3.34Å; Q708-N774 WeakPolarHBondContact O-CB 3.33Å
709	F	87.3	Confident	78.1	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.4	-173.5	-71.2	-97.7	0	0	0	111.6	F91 L707 M754 L755 Q757 W760 A772 V773 N774	F91-F709 HydrophobicContact CD1-CZ 4.39Å; F91-F709 HydrophobicContact CE1-CE1 4.19Å; F91-F709 AromaticContact CE1-CZ 3.88Å; F91-F709 HydrophobicContact CE1-CZ 3.88Å; L707-F709 HydrophobicContact CB-CD2 4.47Å; L707-F709 HydrophobicContact CB-CE2 3.79Å; L707-F709 HydrophobicContact CB-CZ 4.39Å; L707-F709 HydrophobicContact CD1-CE2 4.31Å; L707-F709 HydrophobicContact CD1-CZ 4.19Å; F709-M754 CarbonylContact O-C 3.56Å; F709-M754 WeakPolarHBondContact O-CA 3.4Å; F709-L755 PolarHBondContact N-O 3Å; F709-L755 PolarHBondContact O-N 2.86Å; F709-Q757 HydrophobicContact CD2-CB 4.46Å; F709-Q757 HydrophobicContact CE2-CB 4.17Å; F709-Q757 HydrophobicContact CE2-CG 4.03Å; F709-W760 HydrophobicContact CB-CB 3.89Å; F709-W760 HydrophobicContact CB-CD2 3.57Å; F709-W760 HydrophobicContact CB-CE3 3.6Å; F709-W760 HydrophobicContact CB-CG 3.66Å; F709-W760 HydrophobicContact CB-CZ3 4.43Å; F709-W760 AromaticContact CD1-CD1 3.76Å; F709-W760 AromaticContact CD1-CD2 3.83Å; F709-W760 HydrophobicContact CD1-CD2 3.83Å; F709-W760 AromaticContact CD1-CE2 3.81Å; F709-W760 HydrophobicContact CD1-CE3 4.49Å; F709-W760 AromaticContact CD1-CG 3.86Å; F709-W760 HydrophobicContact CD1-CG 3.86Å; F709-W760 AromaticContact CD1-NE1 3.71Å; F709-W760 HydrophobicContact CD2-CB 3.8Å; F709-W760 AromaticContact CD2-CD1 3.85Å; F709-W760 HydrophobicContact CD2-CD2 4.43Å; F709-W760 AromaticContact CD2-CG 3.72Å; F709-W760 HydrophobicContact CD2-CG 3.72Å; F709-W760 AromaticContact CE1-CD1 3.91Å; F709-W760 HydrophobicContact CE1-CG 4.43Å; F709-W760 AromaticContact CE1-NE1 3.82Å; F709-W760 AromaticContact CE2-CD1 4Å; F709-W760 HydrophobicContact CE2-CG 4.31Å; F709-W760 HydrophobicContact CG-CB 3.91Å; F709-W760 AromaticContact CG-CD1 3.74Å; F709-W760 AromaticContact CG-CD2 3.7Å; F709-W760 HydrophobicContact CG-CD2 3.7Å; F709-W760 HydrophobicContact CG-CE3 4.25Å; F709-W760 AromaticContact CG-CG 3.46Å; F709-W760 HydrophobicContact CG-CG 3.46Å; F709-W760 VanDerWaalsContact CG-CG 3.46Å; F709-A772 HydrophobicContact CD1-CB 4.32Å; F709-A772 HydrophobicContact CE1-CB 4.26Å; F709-V773 CarbonylContact C-O 3.51Å; F709-V773 WeakPolarHBondContact CA-O 3.21Å; F709-V773 WeakPolarHBondContact CD1-O 3.47Å; F709-N774 HydrophobicContact CD1-CB 3.97Å; F709-N774 HydrophobicContact CE1-CB 4.08Å; F709-N774 HydrophobicContact CG-CB 4.34Å
710	Y	89.8	Confident	79	Confident	27 Å²	27	50.9 Å²	50.9	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.8	175.7	-60.1	-92	0	0	0	109.8	P130 N730 V752 L753 M754 V773 L776	P130-Y710 HydrophobicContact CB-CE1 4.38Å; P130-Y710 HydrophobicContact CG-CD1 4.28Å; P130-Y710 HydrophobicContact CG-CE1 3.76Å; Y710-N730 PolarHBondContact O-ND2 2.87Å; Y710-V752 HydrophobicContact CD1-CB 4.42Å; Y710-V752 HydrophobicContact CD1-CG2 3.96Å; Y710-L753 CarbonylContact C-O 3.6Å; Y710-L753 WeakPolarHBondContact CA-O 3.49Å; Y710-M754 HydrophobicContact CD1-CG 3.43Å; Y710-M754 VanDerWaalsContact CD1-CG 3.43Å; Y710-M754 HydrophobicContact CD1-SD 4.33Å; Y710-M754 HydrophobicContact CE1-CE 4.35Å; Y710-M754 HydrophobicContact CE1-CG 3.14Å; Y710-M754 HydrophobicContact CE1-SD 3.44Å; Y710-M754 WeakPolarHBondContact CE1-SD 3.44Å; Y710-M754 HydrophobicContact CG-CG 4.26Å; Y710-V773 HydrophobicContact CD2-CG1 4.04Å; Y710-V773 HydrophobicContact CG-CG1 4.38Å; Y710-V773 PolarHBondContact N-O 3.24Å; Y710-L776 HydrophobicContact CD1-CD1 3.41Å; Y710-L776 VanDerWaalsContact CD1-CD1 3.41Å; Y710-L776 HydrophobicContact CD1-CD2 4.43Å; Y710-L776 HydrophobicContact CD1-CG 3.84Å; Y710-L776 HydrophobicContact CD2-CD1 4.46Å; Y710-L776 HydrophobicContact CD2-CD2 4.47Å; Y710-L776 HydrophobicContact CD2-CG 3.98Å; Y710-L776 HydrophobicContact CE1-CD1 3.4Å; Y710-L776 VanDerWaalsContact CE1-CD1 3.4Å; Y710-L776 HydrophobicContact CE1-CG 3.9Å; Y710-L776 HydrophobicContact CE2-CD1 4.48Å; Y710-L776 HydrophobicContact CE2-CG 4.08Å; Y710-L776 HydrophobicContact CG-CD1 3.96Å; Y710-L776 HydrophobicContact CG-CD2 4.16Å; Y710-L776 HydrophobicContact CG-CG 3.86Å
711	I	91.4	Very high	80.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.6	176.4	-158	163.5	0	0	0	110.5	R713 W715 I728 V752 L753 L755 W760 L763	I711-R713 PolarHBondContact O-N 3.38Å; I711-W715 HydrophobicContact CD1-CD2 4.48Å; I711-W715 HydrophobicContact CD1-CE3 3.48Å; I711-W715 VanDerWaalsContact CD1-CE3 3.48Å; I711-W715 HydrophobicContact CD1-CZ3 3.63Å; I711-W715 HydrophobicContact CG1-CE3 4.11Å; I711-I728 HydrophobicContact CD1-CD1 4.29Å; I711-I728 HydrophobicContact CD1-CG2 4.07Å; I711-I728 HydrophobicContact CG1-CG2 4.01Å; I711-V752 CarbonylContact O-C 3.55Å; I711-V752 VanDerWaalsContact O-CA 3.32Å; I711-V752 WeakPolarHBondContact O-CA 3.45Å; I711-L753 HydrophobicContact CG2-CB 4.17Å; I711-L753 PolarHBondContact N-O 3.47Å; I711-L753 PolarHBondContact O-N 3.17Å; I711-L755 HydrophobicContact CB-CD1 4.18Å; I711-L755 HydrophobicContact CD1-CD1 3.97Å; I711-L755 HydrophobicContact CG2-CD1 3.79Å; I711-L755 HydrophobicContact CG2-CG 3.9Å; I711-W760 HydrophobicContact CB-CZ3 4.18Å; I711-W760 HydrophobicContact CD1-CE3 4.37Å; I711-W760 HydrophobicContact CD1-CZ3 3.97Å; I711-W760 HydrophobicContact CG1-CZ3 4.05Å; I711-L763 HydrophobicContact CD1-CD1 4.38Å
712	S	92.1	Very high	81.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	127.2	171.4	169	0	0	0	0	111.5	Q714 W715 L716 N730 D732	S712-Q714 PolarHBondContact O-N 3.45Å; S712-Q714 WeakPolarHBondContact OG-CB 3.47Å; S712-Q714 PolarHBondContact OG-N 3.37Å; S712-W715 PolarHBondContact O-N 3.01Å; S712-W715 PolarHBondContact OG-N 3.25Å; S712-L716 WeakPolarHBondContact O-CB 3.02Å; S712-L716 PolarHBondContact O-N 2.89Å; S712-N730 PolarHBondContact N-OD1 2.97Å; S712-N730 VanDerWaalsContact N-OD1 3.08Å; S712-D732 VanDerWaalsContact CB-OD1 3.27Å; S712-D732 WeakPolarHBondContact CB-OD1 3.36Å; S712-D732 VanDerWaalsContact CB-OD2 3.28Å; S712-D732 WeakPolarHBondContact CB-OD2 3.44Å; S712-D732 PolarHBondContact OG-OD1 2.78Å; S712-D732 PolarHBondContact OG-OD2 3.17Å
713	R	90.6	Very high	83.7	Confident	30 Å²	30	38.6 Å²	38.6	11%	0.113	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-35.6	167.1	-75.7	-170.6	179.2	-96.9	-6.6	110.8	D137 I711 L716 N717 E749 L751 V752 L753	D137-R713 IonicContact OD1-NH1 2.71Å; D137-R713 PolarHBondContact OD1-NH1 3.09Å; D137-R713 IonicContact OD2-CZ 3.53Å; D137-R713 IonicContact OD2-NH1 2.82Å; D137-R713 PolarHBondContact OD2-NH1 3Å; D137-R713 IonicContact OD2-NH2 3.89Å; D137-R713 PolarHBondContact OD2-NH2 3.15Å; I711-R713 PolarHBondContact O-N 3.38Å; R713-L716 PolarHBondContact O-N 2.9Å; R713-N717 VanDerWaalsContact O-CB 3.24Å; R713-N717 WeakPolarHBondContact O-CB 3.46Å; R713-N717 PolarHBondContact O-N 3.39Å; R713-E749 PolarHBondContact NE-O 3.45Å; R713-L751 PolarHBondContact N-O 2.94Å; R713-V752 PolarHBondContact NE-O 3.14Å; R713-V752 VanDerWaalsContact NE-O 3.11Å; R713-L753 HydrophobicContact CG-CB 4.43Å; R713-L753 HydrophobicContact CG-CD1 4.13Å; R713-L753 HydrophobicContact CG-CG 4.07Å
714	Q	90.8	Very high	85.2	Confident	40 Å²	40	35.4 Å²	35.4	19%	0.187	19%	0.186	C	C	.	.	H	α-helix	trans	-67.5	-41.4	177.6	-159	-160.2	64.4	0	0	112.6	F181 L188 S712 K718	F181-Q714 HydrophobicContact CD2-CG 4.41Å; F181-Q714 HydrophobicContact CE2-CG 4.18Å; L188-Q714 HydrophobicContact CD1-CB 3.99Å; L188-Q714 HydrophobicContact CD1-CG 4.11Å; S712-Q714 PolarHBondContact O-N 3.45Å; S712-Q714 WeakPolarHBondContact OG-CB 3.47Å; S712-Q714 PolarHBondContact OG-N 3.37Å; Q714-K718 WeakPolarHBondContact O-CG 3.36Å; Q714-K718 PolarHBondContact O-N 3.11Å; Q714-K718 VanDerWaalsContact O-N 3.12Å
715	W	92.8	Very high	86.8	Confident	9 Å²	9	30 Å²	30	3%	0.034	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-40.8	174	-174.8	88.9	0	0	0	111.4	I711 S712 N717 K718 F719 G726 P727 I728 L763 Y767	I711-W715 HydrophobicContact CD1-CD2 4.48Å; I711-W715 HydrophobicContact CD1-CE3 3.48Å; I711-W715 VanDerWaalsContact CD1-CE3 3.48Å; I711-W715 HydrophobicContact CD1-CZ3 3.63Å; I711-W715 HydrophobicContact CG1-CE3 4.11Å; S712-W715 PolarHBondContact O-N 3.01Å; S712-W715 PolarHBondContact OG-N 3.25Å; W715-N717 VanDerWaalsContact C-N 3.33Å; W715-N717 PolarHBondContact O-N 2.78Å; W715-K718 CarbonylContact O-C 3.4Å; W715-K718 WeakPolarHBondContact O-CA 3.27Å; W715-K718 WeakPolarHBondContact O-CB 3.23Å; W715-K718 PolarHBondContact O-N 3.46Å; W715-K718 VanDerWaalsContact O-N 3.13Å; W715-F719 HydrophobicContact CE3-CB 4.29Å; W715-F719 HydrophobicContact CH2-CB 3.98Å; W715-F719 HydrophobicContact CH2-CD2 4.17Å; W715-F719 HydrophobicContact CH2-CG 4.26Å; W715-F719 HydrophobicContact CZ3-CB 3.84Å; W715-F719 HydrophobicContact CZ3-CG 4.29Å; W715-F719 PolarHBondContact O-N 3.4Å; W715-G726 PolarHBondContact NE1-O 3.44Å; W715-P727 VanDerWaalsContact CD1-O 3.28Å; W715-P727 PolarHBondContact NE1-O 3.34Å; W715-P727 VanDerWaalsContact NE1-O 3.08Å; W715-I728 HydrophobicContact CD2-CG1 4.12Å; W715-I728 HydrophobicContact CE3-CG1 4.3Å; W715-I728 HydrophobicContact CH2-CD1 4.41Å; W715-I728 HydrophobicContact CH2-CG1 3.86Å; W715-I728 HydrophobicContact CZ2-CG1 3.65Å; W715-I728 HydrophobicContact CZ3-CG1 4.18Å; W715-L763 HydrophobicContact CH2-CD2 4.25Å; W715-L763 HydrophobicContact CZ3-CD1 4.3Å; W715-L763 HydrophobicContact CZ3-CD2 4.49Å; W715-Y767 AromaticContact CH2-CD2 3.9Å; W715-Y767 HydrophobicContact CH2-CD2 3.9Å; W715-Y767 HydrophobicContact CH2-CE2 4.39Å; W715-Y767 HydrophobicContact CH2-CG 4.2Å; W715-Y767 HydrophobicContact CZ2-CD1 4.29Å; W715-Y767 HydrophobicContact CZ2-CD2 4.01Å; W715-Y767 AromaticContact CZ2-CG 3.82Å; W715-Y767 HydrophobicContact CZ2-CG 3.82Å
716	L	90.4	Very high	88.1	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-39	177.3	-173.4	69.1	0	0	0	112	L138 S712 R713 K718 F719 K720 L753	L138-L716 HydrophobicContact CD2-CD1 4.05Å; L138-L716 HydrophobicContact CD2-CD2 3.85Å; L138-L716 HydrophobicContact CD2-CG 4.29Å; S712-L716 WeakPolarHBondContact O-CB 3.02Å; S712-L716 PolarHBondContact O-N 2.89Å; R713-L716 PolarHBondContact O-N 2.9Å; L716-K718 VanDerWaalsContact C-N 3.3Å; L716-K718 PolarHBondContact O-N 3.26Å; L716-F719 HydrophobicContact CD1-CD1 4.27Å; L716-F719 WeakPolarHBondContact O-CB 3.29Å; L716-F719 PolarHBondContact O-N 3.11Å; L716-F719 VanDerWaalsContact O-N 3.14Å; L716-K720 WeakPolarHBondContact O-CG 3.44Å; L716-K720 PolarHBondContact O-N 2.91Å; L716-L753 HydrophobicContact CD2-CB 4.47Å; L716-L753 HydrophobicContact CD2-CD1 3.42Å; L716-L753 VanDerWaalsContact CD2-CD1 3.42Å
717	N	91	Very high	89.4	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-37.8	173.2	-175.9	-101.3	0	0	0	112	Q180 D184 R713 W715 K720 T721	Q180-N717 WeakPolarHBondContact CB-ND2 3.49Å; Q180-N717 PolarHBondContact O-ND2 3.41Å; Q180-N717 VanDerWaalsContact O-ND2 3.08Å; D184-N717 PolarHBondContact OD2-ND2 3.36Å; R713-N717 VanDerWaalsContact O-CB 3.24Å; R713-N717 WeakPolarHBondContact O-CB 3.46Å; R713-N717 PolarHBondContact O-N 3.39Å; W715-N717 VanDerWaalsContact C-N 3.33Å; W715-N717 PolarHBondContact O-N 2.78Å; N717-K720 PolarHBondContact O-N 3.14Å; N717-T721 PolarHBondContact O-N 2.91Å; N717-T721 VanDerWaalsContact O-N 3.16Å; N717-T721 PolarHBondContact O-OG1 3.25Å
718	K	93.3	Very high	90.4	Very high	15 Å²	15	25 Å²	25	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-47	169	-71.8	161.8	178.1	168.2	0	111	D446 Q714 W715 L716 K720 T721 F722 P725	D446-K718 VanDerWaalsContact OD2-CE 3.28Å; D446-K718 WeakPolarHBondContact OD2-CE 3.29Å; D446-K718 IonicContact OD2-NZ 2.69Å; D446-K718 PolarHBondContact OD2-NZ 2.97Å; Q714-K718 WeakPolarHBondContact O-CG 3.36Å; Q714-K718 PolarHBondContact O-N 3.11Å; Q714-K718 VanDerWaalsContact O-N 3.12Å; W715-K718 CarbonylContact O-C 3.4Å; W715-K718 WeakPolarHBondContact O-CA 3.27Å; W715-K718 WeakPolarHBondContact O-CB 3.23Å; W715-K718 PolarHBondContact O-N 3.46Å; W715-K718 VanDerWaalsContact O-N 3.13Å; L716-K718 VanDerWaalsContact C-N 3.3Å; L716-K718 PolarHBondContact O-N 3.26Å; K718-K720 VanDerWaalsContact C-N 3.33Å; K718-K720 PolarHBondContact O-N 3.08Å; K718-T721 PolarHBondContact O-N 2.88Å; K718-T721 VanDerWaalsContact O-N 3.1Å; K718-F722 HydrophobicContact CB-CD1 3.97Å; K718-F722 HydrophobicContact CB-CE1 4.38Å; K718-F722 HydrophobicContact CB-CG 4.25Å; K718-F722 HydrophobicContact CG-CD1 3.79Å; K718-F722 HydrophobicContact CG-CE1 3.68Å; K718-F722 HydrophobicContact CG-CG 4.29Å; K718-F722 HydrophobicContact CG-CZ 4.11Å; K718-F722 WeakPolarHBondContact O-CB 3.31Å; K718-F722 PolarHBondContact O-N 2.63Å; K718-P725 HydrophobicContact CB-CB 4.06Å
719	F	92.5	Very high	90.8	Very high	9 Å²	9	23 Å²	23	4%	0.039	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-42.2	174.7	172.3	-98	0	0	0	113	R692 I695 W715 L716 T721 L763 Y767	R692-F719 HydrophobicContact CB-CZ 4.47Å; R692-F719 HydrophobicContact CG-CE1 4.11Å; R692-F719 HydrophobicContact CG-CE2 4.41Å; R692-F719 HydrophobicContact CG-CZ 3.96Å; R692-F719 PolarHBondContact NE-O 3.3Å; I695-F719 HydrophobicContact CB-CE1 4.25Å; I695-F719 HydrophobicContact CB-CZ 4.02Å; I695-F719 HydrophobicContact CG1-CE1 4.44Å; I695-F719 HydrophobicContact CG1-CZ 3.78Å; I695-F719 HydrophobicContact CG2-CE1 4.18Å; I695-F719 HydrophobicContact CG2-CZ 4.36Å; W715-F719 HydrophobicContact CE3-CB 4.29Å; W715-F719 HydrophobicContact CH2-CB 3.98Å; W715-F719 HydrophobicContact CH2-CD2 4.17Å; W715-F719 HydrophobicContact CH2-CG 4.26Å; W715-F719 HydrophobicContact CZ3-CB 3.84Å; W715-F719 HydrophobicContact CZ3-CG 4.29Å; W715-F719 PolarHBondContact O-N 3.4Å; L716-F719 HydrophobicContact CD1-CD1 4.27Å; L716-F719 WeakPolarHBondContact O-CB 3.29Å; L716-F719 PolarHBondContact O-N 3.11Å; L716-F719 VanDerWaalsContact O-N 3.14Å; F719-T721 VanDerWaalsContact C-N 3.3Å; F719-T721 PolarHBondContact O-N 3.43Å; F719-L763 HydrophobicContact CD2-CD2 4.18Å; F719-L763 HydrophobicContact CE1-CD2 4.38Å; F719-L763 HydrophobicContact CE2-CD2 3.87Å; F719-L763 HydrophobicContact CZ-CD2 3.98Å; F719-Y767 AromaticContact CD2-CE2 3.92Å; F719-Y767 HydrophobicContact CD2-CE2 3.92Å; F719-Y767 AromaticContact CE2-CE2 3.85Å; F719-Y767 HydrophobicContact CE2-CE2 3.85Å
720	K	88.4	Confident	90.9	Very high	59 Å²	59	22.9 Å²	22.9	26%	0.257	13%	0.128	S	C	.	.	H	α-helix	trans	-60.2	-34.9	175.1	-73.5	-176.1	-178.8	-178.3	0	112.8	D137 D184 R692 L716 N717 K718	D137-K720 PolarHBondContact O-NZ 2.93Å; D184-K720 WeakPolarHBondContact OD2-CD 3.33Å; D184-K720 IonicContact OD2-NZ 3.94Å; D184-K720 PolarHBondContact OD2-NZ 3.37Å; R692-K720 WeakPolarHBondContact CD-O 3.48Å; R692-K720 PolarHBondContact NE-O 2.84Å; R692-K720 PolarHBondContact NH1-O 3.07Å; R692-K720 VanDerWaalsContact NH1-O 3.16Å; L716-K720 WeakPolarHBondContact O-CG 3.44Å; L716-K720 PolarHBondContact O-N 2.91Å; N717-K720 PolarHBondContact O-N 3.14Å; K718-K720 VanDerWaalsContact C-N 3.33Å; K718-K720 PolarHBondContact O-N 3.08Å
721	T	91.4	Very high	90.8	Very high	21 Å²	21	26.3 Å²	26.3	13%	0.129	15%	0.149	C	C	.	.	H	α-helix	trans	-119.1	-44.7	-165.2	59.1	0	0	0	0	115.6	P176 Q180 R692 N717 K718 F719	P176-T721 HydrophobicContact CB-CG2 4.48Å; Q180-T721 HydrophobicContact CB-CG2 4.13Å; Q180-T721 HydrophobicContact CG-CG2 4.13Å; R692-T721 PolarHBondContact NH2-O 3.44Å; N717-T721 PolarHBondContact O-N 2.91Å; N717-T721 VanDerWaalsContact O-N 3.16Å; N717-T721 PolarHBondContact O-OG1 3.25Å; K718-T721 PolarHBondContact O-N 2.88Å; K718-T721 VanDerWaalsContact O-N 3.1Å; F719-T721 VanDerWaalsContact C-N 3.3Å; F719-T721 PolarHBondContact O-N 3.43Å
722	F	93.9	Very high	90.5	Very high	15 Å²	15	27 Å²	27	7%	0.066	15%	0.152	C	C	.	.			trans	-75.7	137.9	-176.4	-75.1	56.1	0	0	0	112.9	P177 D446 I447 E579 R692 K718 E724 P725	P177-F722 HydrophobicContact CB-CD1 4.19Å; P177-F722 HydrophobicContact CB-CE1 3.78Å; D446-F722 HydrophobicContact CB-CE2 4.33Å; D446-F722 HydrophobicContact CB-CZ 4.04Å; D446-F722 WeakPolarHBondContact O-CE2 3.27Å; I447-F722 HydrophobicContact CG1-CE1 4.13Å; I447-F722 HydrophobicContact CG1-CZ 3.72Å; E579-F722 HydrophobicContact CB-CD2 3.78Å; E579-F722 HydrophobicContact CB-CE2 3.77Å; E579-F722 HydrophobicContact CB-CG 4.43Å; E579-F722 HydrophobicContact CB-CZ 4.41Å; E579-F722 VanDerWaalsContact CD-CA 3.49Å; E579-F722 HydrophobicContact CG-CB 4.2Å; E579-F722 HydrophobicContact CG-CD1 4.23Å; E579-F722 HydrophobicContact CG-CD2 3.58Å; E579-F722 HydrophobicContact CG-CE2 3.96Å; E579-F722 HydrophobicContact CG-CG 3.73Å; E579-F722 HydrophobicContact CG-CZ 4.43Å; E579-F722 WeakPolarHBondContact OE1-CA 3.43Å; R692-F722 PolarHBondContact NH2-O 2.83Å; K718-F722 HydrophobicContact CB-CD1 3.97Å; K718-F722 HydrophobicContact CB-CE1 4.38Å; K718-F722 HydrophobicContact CB-CG 4.25Å; K718-F722 HydrophobicContact CG-CD1 3.79Å; K718-F722 HydrophobicContact CG-CE1 3.68Å; K718-F722 HydrophobicContact CG-CG 4.29Å; K718-F722 HydrophobicContact CG-CZ 4.11Å; K718-F722 WeakPolarHBondContact O-CB 3.31Å; K718-F722 PolarHBondContact O-N 2.63Å; F722-E724 VanDerWaalsContact C-N 3.31Å; F722-P725 HydrophobicContact CB-CB 4.43Å
723	A	91.9	Very high	90.4	Very high	12 Å²	12	26.9 Å²	26.9	10%	0.099	15%	0.152	C	C	.	.	S	Bend	trans	-63.7	-37.3	170.7	0	0	0	0	0	111.9	E579 I623 K683	E579-A723 PolarHBondContact OE1-N 3.48Å; E579-A723 PolarHBondContact OE2-N 3.05Å; I623-A723 HydrophobicContact CD1-CB 4.31Å; I623-A723 HydrophobicContact CG2-CB 4.42Å; K683-A723 HydrophobicContact CB-CB 3.59Å; K683-A723 HydrophobicContact CD-CB 4.27Å
724	E	88.5	Confident	90.3	Very high	62 Å²	62	26 Å²	26	29%	0.29	15%	0.149	S	C	.	.	S	Bend	trans	-122.1	80.8	177.6	-67.1	173.2	129.8	0	0	110.2	Q622 I623 K683 F722 G726	Q622-E724 PolarHBondContact N-OE1 2.67Å; Q622-E724 VanDerWaalsContact N-OE1 3.16Å; I623-E724 HydrophobicContact CD1-CG 3.75Å; K683-E724 IonicContact NZ-OE2 3.65Å; K683-E724 PolarHBondContact NZ-OE2 3.09Å; F722-E724 VanDerWaalsContact C-N 3.31Å; E724-G726 PolarHBondContact O-N 2.84Å
725	P	90.1	Very high	90.1	Very high	16 Å²	16	25.2 Å²	25.2	10%	0.104	15%	0.148	C	C	.	.			trans	-70.5	-14.1	-175.3	29.3	-36.9	0	0	0	114.4	K718 F722 Y767	K718-P725 HydrophobicContact CB-CB 4.06Å; F722-P725 HydrophobicContact CB-CB 4.43Å; P725-Y767 HydrophobicContact CG-CD1 4.12Å; P725-Y767 HydrophobicContact CG-CE1 3.59Å
726	G	89.3	Confident	89.6	Confident	33 Å²	33	30.5 Å²	30.5	34%	0.34	18%	0.175	S	C	.	.			trans	76.4	179.5	-176.6	0	0	0	0	0	114.2	W715 E724	W715-G726 PolarHBondContact NE1-O 3.44Å; E724-G726 PolarHBondContact O-N 2.84Å
727	P	91.5	Very high	89	Confident	80 Å²	80	31.9 Å²	31.9	52%	0.519	18%	0.181	S	C	.	.	S	Bend	trans	-64.6	153.6	178.4	28.3	-35.5	0	0	0	111.9	W715 S729 Y767	W715-P727 VanDerWaalsContact CD1-O 3.28Å; W715-P727 PolarHBondContact NE1-O 3.34Å; W715-P727 VanDerWaalsContact NE1-O 3.08Å; P727-S729 PolarHBondContact O-N 3.14Å; P727-Y767 VanDerWaalsContact CA-O 3.32Å; P727-Y767 WeakPolarHBondContact CA-O 3.36Å; P727-Y767 WeakPolarHBondContact CB-O 3.37Å
728	I	91.3	Very high	88.4	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.8	178.4	-58	172.6	0	0	0	108.5	I711 W715 W760 L763 Y764 G768 G769 G770	I711-I728 HydrophobicContact CD1-CD1 4.29Å; I711-I728 HydrophobicContact CD1-CG2 4.07Å; I711-I728 HydrophobicContact CG1-CG2 4.01Å; W715-I728 HydrophobicContact CD2-CG1 4.12Å; W715-I728 HydrophobicContact CE3-CG1 4.3Å; W715-I728 HydrophobicContact CH2-CD1 4.41Å; W715-I728 HydrophobicContact CH2-CG1 3.86Å; W715-I728 HydrophobicContact CZ2-CG1 3.65Å; W715-I728 HydrophobicContact CZ3-CG1 4.18Å; I728-W760 HydrophobicContact CD1-CH2 4.21Å; I728-W760 HydrophobicContact CD1-CZ3 4.34Å; I728-W760 HydrophobicContact CG2-CH2 4Å; I728-W760 HydrophobicContact CG2-CZ3 4.25Å; I728-L763 HydrophobicContact CD1-CB 4.19Å; I728-Y764 HydrophobicContact CD1-CD2 4.39Å; I728-G768 WeakPolarHBondContact CB-O 3.35Å; I728-G768 WeakPolarHBondContact CG1-O 3.47Å; I728-G768 PolarHBondContact N-O 2.97Å; I728-G769 CarbonylContact O-C 3.6Å; I728-G769 WeakPolarHBondContact O-CA 3.25Å; I728-G770 PolarHBondContact O-N 2.81Å
729	S	88.8	Confident	87.9	Confident	40 Å²	40	32.4 Å²	32.4	28%	0.28	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	111.8	180	160.7	0	0	0	0	109.4	P727 N731	P727-S729 PolarHBondContact O-N 3.14Å; S729-N731 PolarHBondContact OG-ND2 2.94Å
730	N	89.9	Confident	87.8	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.			trans	-96.5	12.4	178.3	-72.7	-24.2	0	0	0	112.8	Y710 S712 D732 F733 L734 G770 P771 V773	Y710-N730 PolarHBondContact O-ND2 2.87Å; S712-N730 PolarHBondContact N-OD1 2.97Å; S712-N730 VanDerWaalsContact N-OD1 3.08Å; N730-D732 PolarHBondContact O-N 3.14Å; N730-F733 HydrophobicContact CB-CD1 4.26Å; N730-F733 HydrophobicContact CB-CE1 3.46Å; N730-F733 VanDerWaalsContact CB-CE1 3.46Å; N730-F733 HydrophobicContact CB-CE2 4.4Å; N730-F733 HydrophobicContact CB-CZ 3.55Å; N730-F733 VanDerWaalsContact CG-CE1 3.47Å; N730-F733 PolarHBondContact O-N 2.97Å; N730-F733 VanDerWaalsContact OD1-CE1 3.32Å; N730-F733 WeakPolarHBondContact OD1-CE1 3.47Å; N730-L734 HydrophobicContact CB-CD1 4.02Å; N730-L734 HydrophobicContact CB-CG 4.44Å; N730-L734 WeakPolarHBondContact O-CB 3.35Å; N730-L734 WeakPolarHBondContact O-CG 3.39Å; N730-L734 PolarHBondContact O-N 2.78Å; N730-G770 PolarHBondContact N-O 2.77Å; N730-P771 PolarHBondContact ND2-O 2.82Å; N730-V773 HydrophobicContact CB-CG2 4.41Å
731	N	85.9	Confident	87.9	Confident	99 Å²	99	29.6 Å²	29.6	53%	0.529	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.7	-177	-60	-51.6	0	0	0	114.1	S729 F733	S729-N731 PolarHBondContact OG-ND2 2.94Å; N731-F733 VanDerWaalsContact C-N 3.34Å
732	D	86.7	Confident	87.8	Confident	13 Å²	13	30.7 Å²	30.7	7%	0.07	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.3	172	64.8	-39.7	0	0	0	112.7	S712 N730 K744	S712-D732 VanDerWaalsContact CB-OD1 3.27Å; S712-D732 WeakPolarHBondContact CB-OD1 3.36Å; S712-D732 VanDerWaalsContact CB-OD2 3.28Å; S712-D732 WeakPolarHBondContact CB-OD2 3.44Å; S712-D732 PolarHBondContact OG-OD1 2.78Å; S712-D732 PolarHBondContact OG-OD2 3.17Å; N730-D732 PolarHBondContact O-N 3.14Å; D732-K744 VanDerWaalsContact O-CD 3.26Å; D732-K744 WeakPolarHBondContact O-CD 3.43Å; D732-K744 WeakPolarHBondContact O-CE 3.36Å; D732-K744 PolarHBondContact O-NZ 2.96Å
733	F	90	Very high	87.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-14.4	173.9	69.2	-94.7	0	0	0	115.3	N730 N731 V740 P741 I748 L751 V752 V773 L776	N730-F733 HydrophobicContact CB-CD1 4.26Å; N730-F733 HydrophobicContact CB-CE1 3.46Å; N730-F733 VanDerWaalsContact CB-CE1 3.46Å; N730-F733 HydrophobicContact CB-CE2 4.4Å; N730-F733 HydrophobicContact CB-CZ 3.55Å; N730-F733 VanDerWaalsContact CG-CE1 3.47Å; N730-F733 PolarHBondContact O-N 2.97Å; N730-F733 VanDerWaalsContact OD1-CE1 3.32Å; N730-F733 WeakPolarHBondContact OD1-CE1 3.47Å; N731-F733 VanDerWaalsContact C-N 3.34Å; F733-V740 WeakPolarHBondContact O-CA 3.36Å; F733-P741 WeakPolarHBondContact O-CD 3.48Å; F733-I748 HydrophobicContact CB-CD1 3.76Å; F733-I748 HydrophobicContact CD2-CD1 4.14Å; F733-I748 HydrophobicContact CG-CD1 4.29Å; F733-L751 HydrophobicContact CB-CB 3.91Å; F733-L751 HydrophobicContact CB-CD1 3.94Å; F733-V752 HydrophobicContact CB-CG1 3.95Å; F733-V752 HydrophobicContact CD1-CG1 3.57Å; F733-V752 HydrophobicContact CD2-CG1 3.62Å; F733-V752 HydrophobicContact CE1-CG1 3.82Å; F733-V752 HydrophobicContact CE2-CG1 3.88Å; F733-V752 HydrophobicContact CG-CG1 3.45Å; F733-V752 VanDerWaalsContact CG-CG1 3.45Å; F733-V752 HydrophobicContact CZ-CG1 3.96Å; F733-V773 HydrophobicContact CE2-CB 4.47Å; F733-V773 HydrophobicContact CE2-CG1 4.32Å; F733-V773 HydrophobicContact CE2-CG2 4.07Å; F733-V773 HydrophobicContact CZ-CB 4.43Å; F733-V773 HydrophobicContact CZ-CG2 4.04Å; F733-L776 HydrophobicContact CD2-CD2 4.03Å; F733-L776 HydrophobicContact CE2-CD2 3.7Å
734	L	88.9	Confident	87.3	Confident	11 Å²	11	40 Å²	40	6%	0.058	22%	0.221	C	C	.	.			trans	-97.3	168.3	174	-60.7	179.6	0	0	0	113.2	N730 G739 P771 V773	N730-L734 HydrophobicContact CB-CD1 4.02Å; N730-L734 HydrophobicContact CB-CG 4.44Å; N730-L734 WeakPolarHBondContact O-CB 3.35Å; N730-L734 WeakPolarHBondContact O-CG 3.39Å; N730-L734 PolarHBondContact O-N 2.78Å; L734-G739 CarbonylContact C-O 3.35Å; L734-G739 WeakPolarHBondContact CA-O 3.27Å; L734-P771 HydrophobicContact CD1-CG 3.42Å; L734-P771 VanDerWaalsContact CD1-CG 3.42Å; L734-V773 HydrophobicContact CD1-CG2 3.72Å; L734-V773 HydrophobicContact CD2-CG2 4.37Å; L734-V773 HydrophobicContact CG-CG2 4.42Å
735	C	86.1	Confident	87.3	Confident	24 Å²	24	37.8 Å²	37.8	16%	0.162	21%	0.214	C	C	.	.			trans	-111.4	172.4	154	64.5	0	0	0	0	110.9	H737 G738 G739 P741 C779 C782	C735-H737 PolarHBondContact O-N 2.82Å; C735-G738 PolarHBondContact O-N 2.92Å; C735-G739 PolarHBondContact N-O 2.85Å; C735-G739 PolarHBondContact SG-O 2.85Å; C735-P741 HydrophobicContact CB-CG 4.16Å; C735-C779 PolarHBondContact SG-SG 2.84Å; C735-C782 VanDerWaalsContact SG-SG 3.64Å
736	I	82.1	Confident	87.2	Confident	119 Å²	119	40.3 Å²	40.3	61%	0.61	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-19.2	175.2	61.2	174.7	0	0	0	114.8	M261 G738	M261-I736 HydrophobicContact CE-CG2 3.6Å; M261-I736 HydrophobicContact SD-CG2 4.33Å; I736-G738 VanDerWaalsContact C-N 3.27Å; I736-G738 PolarHBondContact O-N 2.71Å
737	H	77.9	Confident	87.1	Confident	34 Å²	34	41.3 Å²	41.3	16%	0.157	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.8	175.4	-50.6	121.7	0	0	0	113.8	N39 C735 G739 Y777 C782 E785	N39-H737 PolarHBondContact ND2-O 3.44Å; C735-H737 PolarHBondContact O-N 2.82Å; H737-G739 VanDerWaalsContact C-N 3.35Å; H737-G739 PolarHBondContact O-N 3.35Å; H737-Y777 PolarHBondContact O-OH 3.15Å; H737-C782 PolarHBondContact ND1-SG 2.92Å; H737-E785 IonicContact CE1-OE2 2.76Å
738	G	77.3	Confident	87	Confident	31 Å²	31	37.6 Å²	37.6	32%	0.32	21%	0.212	S	C	.	.	S	Bend	trans	79.8	5.5	178.9	0	0	0	0	0	115.9	C735 I736 Y777	C735-G738 PolarHBondContact O-N 2.92Å; I736-G738 VanDerWaalsContact C-N 3.27Å; I736-G738 PolarHBondContact O-N 2.71Å; G738-Y777 VanDerWaalsContact C-OH 3.23Å; G738-Y777 WeakPolarHBondContact O-CE1 3.46Å; G738-Y777 PolarHBondContact O-OH 2.93Å
739	G	84.2	Confident	86.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-118.1	167.1	179.7	0	0	0	0	0	113.2	L734 C735 H737	L734-G739 CarbonylContact C-O 3.35Å; L734-G739 WeakPolarHBondContact CA-O 3.27Å; C735-G739 PolarHBondContact N-O 2.85Å; C735-G739 PolarHBondContact SG-O 2.85Å; H737-G739 VanDerWaalsContact C-N 3.35Å; H737-G739 PolarHBondContact O-N 3.35Å
740	V	90.3	Very high	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-72.4	127	178.2	179.4	0	0	0	0	110.1	L127 F733 K744 A745 I748 L776 Y777 C779	L127-V740 HydrophobicContact CD1-CB 4.43Å; L127-V740 HydrophobicContact CD1-CG2 4.13Å; F733-V740 WeakPolarHBondContact O-CA 3.36Å; V740-K744 HydrophobicContact CG1-CB 4.3Å; V740-A745 HydrophobicContact CG1-CB 4.35Å; V740-I748 HydrophobicContact CG1-CD1 3.86Å; V740-I748 HydrophobicContact CG1-CG1 4.43Å; V740-I748 HydrophobicContact CG2-CD1 3.84Å; V740-I748 HydrophobicContact CG2-CG1 4.31Å; V740-L776 HydrophobicContact CG2-CB 4.41Å; V740-L776 HydrophobicContact CG2-CD2 3.91Å; V740-Y777 WeakPolarHBondContact CB-O 3.34Å; V740-Y777 PolarHBondContact N-O 2.86Å; V740-C779 WeakPolarHBondContact O-CB 3.45Å; V740-C779 PolarHBondContact O-N 3.05Å
741	P	90.5	Very high	86.7	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.058	23%	0.226	C	C	.	.			trans	-58.1	137.5	174.2	-22.8	32.3	0	0	0	111.2	F733 C735 R743 K744 A745	F733-P741 WeakPolarHBondContact O-CD 3.48Å; C735-P741 HydrophobicContact CB-CG 4.16Å; P741-R743 HydrophobicContact CB-CG 4.07Å; P741-R743 PolarHBondContact O-N 2.82Å; P741-R743 VanDerWaalsContact O-N 3.08Å; P741-K744 HydrophobicContact CB-CB 4.37Å; P741-K744 HydrophobicContact CB-CG 4.39Å; P741-K744 HydrophobicContact CG-CD 4.38Å; P741-K744 HydrophobicContact CG-CG 4.44Å; P741-K744 WeakPolarHBondContact O-CA 3.36Å; P741-K744 PolarHBondContact O-N 2.9Å; P741-A745 PolarHBondContact O-N 3.44Å
742	P	88.8	Confident	86.9	Confident	44 Å²	44	36.4 Å²	36.4	29%	0.286	20%	0.201	S	C	.	.	H	α-helix	trans	-53.6	-35	178.2	-26.6	32.5	0	0	0	113.6	K744 A745 I778 C782 Q783	P742-K744 VanDerWaalsContact C-N 3.25Å; P742-K744 PolarHBondContact O-N 2.82Å; P742-A745 WeakPolarHBondContact O-CB 3.45Å; P742-A745 PolarHBondContact O-N 3.31Å; P742-I778 HydrophobicContact CB-CG2 4.26Å; P742-I778 HydrophobicContact CG-CG2 3.91Å; P742-C782 HydrophobicContact CG-CB 4.5Å; P742-Q783 HydrophobicContact CG-CB 3.78Å; P742-Q783 HydrophobicContact CG-CG 4.39Å
743	R	86.2	Confident	87	Confident	202 Å²	202	36 Å²	36	76%	0.762	20%	0.198	S	C	*	.	H	α-helix	trans	-69	-12.6	174.9	70.9	-180	-178.2	-131.7	-0.5	115.6	P741 Y747	P741-R743 HydrophobicContact CB-CG 4.07Å; P741-R743 PolarHBondContact O-N 2.82Å; P741-R743 VanDerWaalsContact O-N 3.08Å; R743-Y747 WeakPolarHBondContact O-CE1 3.31Å; R743-Y747 PolarHBondContact O-OH 3.45Å
744	K	89.1	Confident	86.8	Confident	20 Å²	20	36.2 Å²	36.2	9%	0.087	20%	0.2	C	C	.	.	H	α-helix	trans	-106.9	-21	175.2	-67.9	-165.5	168.3	-173.1	0	112.1	E258 D732 V740 P741 P742 G746 Y747 I748 L751	E258-K744 IonicContact OE1-NZ 2.66Å; E258-K744 PolarHBondContact OE1-NZ 2.99Å; D732-K744 VanDerWaalsContact O-CD 3.26Å; D732-K744 WeakPolarHBondContact O-CD 3.43Å; D732-K744 WeakPolarHBondContact O-CE 3.36Å; D732-K744 PolarHBondContact O-NZ 2.96Å; V740-K744 HydrophobicContact CG1-CB 4.3Å; P741-K744 HydrophobicContact CB-CB 4.37Å; P741-K744 HydrophobicContact CB-CG 4.39Å; P741-K744 HydrophobicContact CG-CD 4.38Å; P741-K744 HydrophobicContact CG-CG 4.44Å; P741-K744 WeakPolarHBondContact O-CA 3.36Å; P741-K744 PolarHBondContact O-N 2.9Å; P742-K744 VanDerWaalsContact C-N 3.25Å; P742-K744 PolarHBondContact O-N 2.82Å; K744-G746 VanDerWaalsContact C-N 3.31Å; K744-G746 PolarHBondContact O-N 2.69Å; K744-Y747 HydrophobicContact CG-CE2 4.44Å; K744-Y747 CarbonylContact O-C 3.58Å; K744-Y747 PolarHBondContact O-N 2.81Å; K744-Y747 VanDerWaalsContact O-N 3.13Å; K744-I748 PolarHBondContact O-N 3.26Å; K744-L751 HydrophobicContact CB-CD1 3.91Å; K744-L751 HydrophobicContact CD-CD1 3.99Å; K744-L751 HydrophobicContact CG-CD1 4.25Å
745	A	89.2	Confident	86.6	Confident	16 Å²	16	35.8 Å²	35.8	13%	0.132	20%	0.197	C	C	.	.	H	α-helix	trans	-53	-39.1	-177.9	0	0	0	0	0	115	L127 V740 P741 P742 Y747 I778	L127-A745 HydrophobicContact CD2-CB 3.7Å; V740-A745 HydrophobicContact CG1-CB 4.35Å; P741-A745 PolarHBondContact O-N 3.44Å; P742-A745 WeakPolarHBondContact O-CB 3.45Å; P742-A745 PolarHBondContact O-N 3.31Å; A745-Y747 PolarHBondContact O-N 2.91Å; A745-I778 HydrophobicContact CB-CD1 4.08Å; A745-I778 HydrophobicContact CB-CG1 3.99Å
746	G	87.1	Confident	86.4	Confident	69 Å²	69	36.2 Å²	36.2	71%	0.711	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-1.6	-178.3	0	0	0	0	0	115.9	K744	K744-G746 VanDerWaalsContact C-N 3.31Å; K744-G746 PolarHBondContact O-N 2.69Å
747	Y	87.6	Confident	86.4	Confident	54 Å²	54	32.6 Å²	32.6	21%	0.212	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.9	31.3	176.6	54.5	-86.4	0	0	0	111.6	R190 R743 K744 A745 E749 D750 L751	R190-Y747 VanDerWaalsContact NH1-CG 3.32Å; R190-Y747 VanDerWaalsContact NH2-CB 3.29Å; R743-Y747 WeakPolarHBondContact O-CE1 3.31Å; R743-Y747 PolarHBondContact O-OH 3.45Å; K744-Y747 HydrophobicContact CG-CE2 4.44Å; K744-Y747 CarbonylContact O-C 3.58Å; K744-Y747 PolarHBondContact O-N 2.81Å; K744-Y747 VanDerWaalsContact O-N 3.13Å; A745-Y747 PolarHBondContact O-N 2.91Å; Y747-E749 PolarHBondContact O-N 3.37Å; Y747-E749 VanDerWaalsContact O-N 3.16Å; Y747-D750 WeakPolarHBondContact O-CB 3.47Å; Y747-D750 PolarHBondContact O-N 2.98Å; Y747-L751 HydrophobicContact CD2-CD1 4.22Å; Y747-L751 HydrophobicContact CD2-CD2 4.17Å; Y747-L751 HydrophobicContact CD2-CG 4.19Å; Y747-L751 HydrophobicContact CE2-CD1 4.12Å; Y747-L751 HydrophobicContact CE2-CD2 4.16Å; Y747-L751 HydrophobicContact CE2-CG 4.42Å
748	I	90.1	Very high	86.5	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30.1	179.2	-170.5	58.4	0	0	0	112.3	L127 F733 V740 K744 D750 L751 V752 L776	L127-I748 HydrophobicContact CD2-CG2 4.25Å; F733-I748 HydrophobicContact CB-CD1 3.76Å; F733-I748 HydrophobicContact CD2-CD1 4.14Å; F733-I748 HydrophobicContact CG-CD1 4.29Å; V740-I748 HydrophobicContact CG1-CD1 3.86Å; V740-I748 HydrophobicContact CG1-CG1 4.43Å; V740-I748 HydrophobicContact CG2-CD1 3.84Å; V740-I748 HydrophobicContact CG2-CG1 4.31Å; K744-I748 PolarHBondContact O-N 3.26Å; I748-D750 VanDerWaalsContact C-N 3.26Å; I748-D750 PolarHBondContact O-N 3.26Å; I748-L751 HydrophobicContact CD1-CB 4.44Å; I748-L751 HydrophobicContact CD1-CD1 4.25Å; I748-L751 PolarHBondContact O-N 2.91Å; I748-V752 HydrophobicContact CD1-CG1 3.71Å; I748-V752 HydrophobicContact CG1-CG1 4.22Å; I748-V752 HydrophobicContact CG1-CG2 4.36Å; I748-V752 WeakPolarHBondContact O-CG2 3.28Å; I748-V752 PolarHBondContact O-N 3.19Å; I748-L776 HydrophobicContact CG1-CD1 3.89Å
749	E	87.1	Confident	86.8	Confident	65 Å²	65	31.1 Å²	31.1	30%	0.304	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-51.4	-39.9	172.5	-62.2	157.7	-87.3	0	0	112.7	K128 R713 Y747 L751	K128-E749 HydrophobicContact CD-CG 4.46Å; K128-E749 WeakPolarHBondContact CD-OE1 3.4Å; K128-E749 VanDerWaalsContact CD-OE2 3.31Å; K128-E749 WeakPolarHBondContact CD-OE2 3.23Å; K128-E749 WeakPolarHBondContact CE-OE1 3.33Å; K128-E749 IonicContact NZ-OE1 2.73Å; K128-E749 PolarHBondContact NZ-OE1 2.97Å; K128-E749 IonicContact NZ-OE2 3.78Å; K128-E749 PolarHBondContact NZ-OE2 3.49Å; R713-E749 PolarHBondContact NE-O 3.45Å; Y747-E749 PolarHBondContact O-N 3.37Å; Y747-E749 VanDerWaalsContact O-N 3.16Å; E749-L751 VanDerWaalsContact C-N 3.27Å; E749-L751 PolarHBondContact O-N 2.95Å
750	D	87.4	Confident	87	Confident	52 Å²	52	31.1 Å²	31.1	28%	0.278	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-75.2	-14.2	-180	-64.5	16.3	0	0	0	113.2	G187 R190 Y747 I748	G187-D750 VanDerWaalsContact CA-OD2 3.3Å; G187-D750 WeakPolarHBondContact CA-OD2 3.39Å; R190-D750 IonicContact CZ-OD2 2.67Å; R190-D750 IonicContact NE-OD2 2.71Å; R190-D750 IonicContact NH2-OD2 3.64Å; R190-D750 PolarHBondContact NH2-OD2 3.31Å; Y747-D750 WeakPolarHBondContact O-CB 3.47Å; Y747-D750 PolarHBondContact O-N 2.98Å; I748-D750 VanDerWaalsContact C-N 3.26Å; I748-D750 PolarHBondContact O-N 3.26Å
751	L	88.8	Confident	86.7	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-28.9	-170.4	-51.6	179.9	0	0	0	112.8	L188 R713 F733 K744 Y747 I748 E749	L188-L751 HydrophobicContact CD2-CD2 3.35Å; L188-L751 HydrophobicContact CG-CD2 4.35Å; R713-L751 PolarHBondContact N-O 2.94Å; F733-L751 HydrophobicContact CB-CB 3.91Å; F733-L751 HydrophobicContact CB-CD1 3.94Å; K744-L751 HydrophobicContact CB-CD1 3.91Å; K744-L751 HydrophobicContact CD-CD1 3.99Å; K744-L751 HydrophobicContact CG-CD1 4.25Å; Y747-L751 HydrophobicContact CD2-CD1 4.22Å; Y747-L751 HydrophobicContact CD2-CD2 4.17Å; Y747-L751 HydrophobicContact CD2-CG 4.19Å; Y747-L751 HydrophobicContact CE2-CD1 4.12Å; Y747-L751 HydrophobicContact CE2-CD2 4.16Å; Y747-L751 HydrophobicContact CE2-CG 4.42Å; I748-L751 HydrophobicContact CD1-CB 4.44Å; I748-L751 HydrophobicContact CD1-CD1 4.25Å; I748-L751 PolarHBondContact O-N 2.91Å; E749-L751 VanDerWaalsContact C-N 3.27Å; E749-L751 PolarHBondContact O-N 2.95Å
752	V	90.2	Very high	86.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.5	-169.6	-50.3	0	0	0	0	113.5	P130 Y710 I711 R713 F733 I748 L776	P130-V752 HydrophobicContact CB-CG2 3.72Å; P130-V752 HydrophobicContact CG-CG2 3.54Å; Y710-V752 HydrophobicContact CD1-CB 4.42Å; Y710-V752 HydrophobicContact CD1-CG2 3.96Å; I711-V752 CarbonylContact O-C 3.55Å; I711-V752 VanDerWaalsContact O-CA 3.32Å; I711-V752 WeakPolarHBondContact O-CA 3.45Å; R713-V752 PolarHBondContact NE-O 3.14Å; R713-V752 VanDerWaalsContact NE-O 3.11Å; F733-V752 HydrophobicContact CB-CG1 3.95Å; F733-V752 HydrophobicContact CD1-CG1 3.57Å; F733-V752 HydrophobicContact CD2-CG1 3.62Å; F733-V752 HydrophobicContact CE1-CG1 3.82Å; F733-V752 HydrophobicContact CE2-CG1 3.88Å; F733-V752 HydrophobicContact CG-CG1 3.45Å; F733-V752 VanDerWaalsContact CG-CG1 3.45Å; F733-V752 HydrophobicContact CZ-CG1 3.96Å; I748-V752 HydrophobicContact CD1-CG1 3.71Å; I748-V752 HydrophobicContact CG1-CG1 4.22Å; I748-V752 HydrophobicContact CG1-CG2 4.36Å; I748-V752 WeakPolarHBondContact O-CG2 3.28Å; I748-V752 PolarHBondContact O-N 3.19Å; V752-L776 HydrophobicContact CG2-CD1 4.15Å
753	L	87.9	Confident	86.4	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.6	165.3	-101	168	0	0	0	110.8	A133 D137 Y710 I711 R713 L716	A133-L753 HydrophobicContact CB-CD2 3.81Å; D137-L753 WeakPolarHBondContact OD2-CD2 3.46Å; Y710-L753 CarbonylContact C-O 3.6Å; Y710-L753 WeakPolarHBondContact CA-O 3.49Å; I711-L753 HydrophobicContact CG2-CB 4.17Å; I711-L753 PolarHBondContact N-O 3.47Å; I711-L753 PolarHBondContact O-N 3.17Å; R713-L753 HydrophobicContact CG-CB 4.43Å; R713-L753 HydrophobicContact CG-CD1 4.13Å; R713-L753 HydrophobicContact CG-CG 4.07Å; L716-L753 HydrophobicContact CD2-CB 4.47Å; L716-L753 HydrophobicContact CD2-CD1 3.42Å; L716-L753 VanDerWaalsContact CD2-CD1 3.42Å
754	M	86	Confident	86.5	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.1	176.3	-76.1	173.7	68	0	0	110.9	T129 P130 V132 A133 Q708 F709 Y710	T129-M754 HydrophobicContact CG2-SD 4.42Å; P130-M754 HydrophobicContact CB-SD 4.3Å; V132-M754 HydrophobicContact CG2-CE 4.41Å; A133-M754 VanDerWaalsContact CB-O 3.3Å; A133-M754 WeakPolarHBondContact CB-O 3.43Å; A133-M754 PolarHBondContact N-O 3.35Å; Q708-M754 HydrophobicContact CB-CE 4.08Å; F709-M754 CarbonylContact O-C 3.56Å; F709-M754 WeakPolarHBondContact O-CA 3.4Å; Y710-M754 HydrophobicContact CD1-CG 3.43Å; Y710-M754 VanDerWaalsContact CD1-CG 3.43Å; Y710-M754 HydrophobicContact CD1-SD 4.33Å; Y710-M754 HydrophobicContact CE1-CE 4.35Å; Y710-M754 HydrophobicContact CE1-CG 3.14Å; Y710-M754 HydrophobicContact CE1-SD 3.44Å; Y710-M754 WeakPolarHBondContact CE1-SD 3.44Å; Y710-M754 HydrophobicContact CG-CG 4.26Å
755	L	84.6	Confident	86.3	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	144.5	176.1	-61.7	-176.9	0	0	0	111.9	A133 L138 Q708 F709 I711 I759 L763	A133-L755 HydrophobicContact CB-CD2 4.21Å; L138-L755 HydrophobicContact CD1-CD2 3.97Å; Q708-L755 CarbonylContact C-O 3.56Å; Q708-L755 WeakPolarHBondContact CA-O 3.23Å; F709-L755 PolarHBondContact N-O 3Å; F709-L755 PolarHBondContact O-N 2.86Å; I711-L755 HydrophobicContact CB-CD1 4.18Å; I711-L755 HydrophobicContact CD1-CD1 3.97Å; I711-L755 HydrophobicContact CG2-CD1 3.79Å; I711-L755 HydrophobicContact CG2-CG 3.9Å; L755-I759 HydrophobicContact CD1-CG2 4.2Å; L755-I759 HydrophobicContact CD2-CG2 4.41Å; L755-L763 HydrophobicContact CD1-CD1 3.7Å
756	P	82.5	Confident	86.1	Confident	32 Å²	32	32.4 Å²	32.4	21%	0.208	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	153.9	162.5	-22.7	34.9	0	0	0	112.3	N758 I759 W760	P756-N758 WeakPolarHBondContact CB-OD1 3.15Å; P756-N758 PolarHBondContact O-N 2.99Å; P756-I759 HydrophobicContact CB-CG1 4.34Å; P756-I759 HydrophobicContact CG-CG1 4.41Å; P756-I759 PolarHBondContact O-N 3.44Å; P756-W760 PolarHBondContact O-N 2.84Å; P756-W760 VanDerWaalsContact O-N 3.07Å
757	Q	80.9	Confident	86.2	Confident	43 Å²	43	31.2 Å²	31.2	20%	0.201	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-44.1	-176.8	175.3	176.1	-7.7	0	0	112.6	S705 L707 F709 I759 W760 D761	S705-Q757 PolarHBondContact OG-N 3.01Å; L707-Q757 HydrophobicContact CB-CB 4.49Å; F709-Q757 HydrophobicContact CD2-CB 4.46Å; F709-Q757 HydrophobicContact CE2-CB 4.17Å; F709-Q757 HydrophobicContact CE2-CG 4.03Å; Q757-I759 PolarHBondContact O-N 2.85Å; Q757-W760 PolarHBondContact O-N 2.8Å; Q757-W760 VanDerWaalsContact O-N 3.15Å; Q757-D761 VanDerWaalsContact CG-OD2 3.25Å; Q757-D761 WeakPolarHBondContact CG-OD2 3.49Å; Q757-D761 PolarHBondContact NE2-OD2 2.84Å; Q757-D761 VanDerWaalsContact NE2-OD2 3.14Å; Q757-D761 WeakPolarHBondContact O-CB 3.41Å; Q757-D761 VanDerWaalsContact O-CG 3.28Å; Q757-D761 PolarHBondContact O-N 3.34Å
758	N	80.1	Confident	86.2	Confident	34 Å²	34	29.8 Å²	29.8	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-33.7	-179.4	64.6	-21.4	0	0	0	112.9	P756 N762	P756-N758 WeakPolarHBondContact CB-OD1 3.15Å; P756-N758 PolarHBondContact O-N 2.99Å; N758-N762 PolarHBondContact O-N 3.42Å; N758-N762 PolarHBondContact O-ND2 3.37Å
759	I	85.1	Confident	86	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-73.8	-46	175	-52.7	-54.8	0	0	0	110.7	I695 L698 L699 L755 P756 Q757 D761 N762 L763	I695-I759 HydrophobicContact CG2-CG2 4.08Å; L698-I759 HydrophobicContact CB-CD1 3.53Å; L699-I759 HydrophobicContact CD2-CD1 4.2Å; L699-I759 HydrophobicContact CD2-CG1 3.75Å; L699-I759 HydrophobicContact CD2-CG2 4.38Å; L699-I759 HydrophobicContact CG-CD1 3.91Å; L699-I759 HydrophobicContact CG-CG1 4.04Å; L755-I759 HydrophobicContact CD1-CG2 4.2Å; L755-I759 HydrophobicContact CD2-CG2 4.41Å; P756-I759 HydrophobicContact CB-CG1 4.34Å; P756-I759 HydrophobicContact CG-CG1 4.41Å; P756-I759 PolarHBondContact O-N 3.44Å; Q757-I759 PolarHBondContact O-N 2.85Å; I759-D761 VanDerWaalsContact C-N 3.34Å; I759-D761 PolarHBondContact O-N 3.26Å; I759-N762 PolarHBondContact O-N 3.37Å; I759-L763 HydrophobicContact CG2-CD1 3.98Å; I759-L763 HydrophobicContact CG2-CG 4.46Å; I759-L763 WeakPolarHBondContact O-CG 3.41Å; I759-L763 PolarHBondContact O-N 3.13Å
760	W	86.6	Confident	85.4	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.8	-48.2	174.9	176.4	-93.2	0	0	0	111.6	F91 F709 I711 I728 P756 Q757 N762 L763 Y764 A772	F91-W760 AromaticContact CZ-NE1 3.88Å; F709-W760 HydrophobicContact CB-CB 3.89Å; F709-W760 HydrophobicContact CB-CD2 3.57Å; F709-W760 HydrophobicContact CB-CE3 3.6Å; F709-W760 HydrophobicContact CB-CG 3.66Å; F709-W760 HydrophobicContact CB-CZ3 4.43Å; F709-W760 AromaticContact CD1-CD1 3.76Å; F709-W760 AromaticContact CD1-CD2 3.83Å; F709-W760 HydrophobicContact CD1-CD2 3.83Å; F709-W760 AromaticContact CD1-CE2 3.81Å; F709-W760 HydrophobicContact CD1-CE3 4.49Å; F709-W760 AromaticContact CD1-CG 3.86Å; F709-W760 HydrophobicContact CD1-CG 3.86Å; F709-W760 AromaticContact CD1-NE1 3.71Å; F709-W760 HydrophobicContact CD2-CB 3.8Å; F709-W760 AromaticContact CD2-CD1 3.85Å; F709-W760 HydrophobicContact CD2-CD2 4.43Å; F709-W760 AromaticContact CD2-CG 3.72Å; F709-W760 HydrophobicContact CD2-CG 3.72Å; F709-W760 AromaticContact CE1-CD1 3.91Å; F709-W760 HydrophobicContact CE1-CG 4.43Å; F709-W760 AromaticContact CE1-NE1 3.82Å; F709-W760 AromaticContact CE2-CD1 4Å; F709-W760 HydrophobicContact CE2-CG 4.31Å; F709-W760 HydrophobicContact CG-CB 3.91Å; F709-W760 AromaticContact CG-CD1 3.74Å; F709-W760 AromaticContact CG-CD2 3.7Å; F709-W760 HydrophobicContact CG-CD2 3.7Å; F709-W760 HydrophobicContact CG-CE3 4.25Å; F709-W760 AromaticContact CG-CG 3.46Å; F709-W760 HydrophobicContact CG-CG 3.46Å; F709-W760 VanDerWaalsContact CG-CG 3.46Å; I711-W760 HydrophobicContact CB-CZ3 4.18Å; I711-W760 HydrophobicContact CD1-CE3 4.37Å; I711-W760 HydrophobicContact CD1-CZ3 3.97Å; I711-W760 HydrophobicContact CG1-CZ3 4.05Å; I728-W760 HydrophobicContact CD1-CH2 4.21Å; I728-W760 HydrophobicContact CD1-CZ3 4.34Å; I728-W760 HydrophobicContact CG2-CH2 4Å; I728-W760 HydrophobicContact CG2-CZ3 4.25Å; P756-W760 PolarHBondContact O-N 2.84Å; P756-W760 VanDerWaalsContact O-N 3.07Å; Q757-W760 PolarHBondContact O-N 2.8Å; Q757-W760 VanDerWaalsContact O-N 3.15Å; W760-N762 VanDerWaalsContact C-N 3.33Å; W760-N762 PolarHBondContact O-N 3.49Å; W760-L763 PolarHBondContact O-N 2.79Å; W760-Y764 AromaticContact CZ2-CD2 3.67Å; W760-Y764 HydrophobicContact CZ2-CD2 3.67Å; W760-Y764 HydrophobicContact CZ2-CE2 4.36Å; W760-Y764 HydrophobicContact CZ2-CG 4.19Å; W760-Y764 AromaticContact NE1-CG 3.98Å; W760-Y764 WeakPolarHBondContact O-CB 3.24Å; W760-Y764 PolarHBondContact O-N 2.78Å; W760-A772 HydrophobicContact CH2-CB 4.21Å; W760-A772 HydrophobicContact CZ2-CB 3.38Å
761	D	84.3	Confident	85.1	Confident	41 Å²	41	29.5 Å²	29.5	22%	0.219	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-35.4	-177.5	-67.5	-15.2	0	0	0	111.9	Q757 I759 S765	Q757-D761 VanDerWaalsContact CG-OD2 3.25Å; Q757-D761 WeakPolarHBondContact CG-OD2 3.49Å; Q757-D761 PolarHBondContact NE2-OD2 2.84Å; Q757-D761 VanDerWaalsContact NE2-OD2 3.14Å; Q757-D761 WeakPolarHBondContact O-CB 3.41Å; Q757-D761 VanDerWaalsContact O-CG 3.28Å; Q757-D761 PolarHBondContact O-N 3.34Å; I759-D761 VanDerWaalsContact C-N 3.34Å; I759-D761 PolarHBondContact O-N 3.26Å; D761-S765 WeakPolarHBondContact O-CB 3.49Å; D761-S765 PolarHBondContact O-N 2.95Å; D761-S765 PolarHBondContact O-OG 3.46Å
762	N	85.6	Confident	84.9	Confident	43 Å²	43	29.5 Å²	29.5	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-69.2	-43.6	173.4	-84.1	-90.8	0	0	0	112.4	R694 I695 N758 I759 W760 S765 R766	R694-N762 PolarHBondContact NH2-OD1 2.94Å; I695-N762 HydrophobicContact CD1-CB 3.88Å; N758-N762 PolarHBondContact O-N 3.42Å; N758-N762 PolarHBondContact O-ND2 3.37Å; I759-N762 PolarHBondContact O-N 3.37Å; W760-N762 VanDerWaalsContact C-N 3.33Å; W760-N762 PolarHBondContact O-N 3.49Å; N762-S765 PolarHBondContact O-OG 3.46Å; N762-R766 PolarHBondContact O-N 2.96Å
763	L	88.8	Confident	84.7	Confident	3 Å²	3	30 Å²	30	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-48.5	178.6	-66.7	172.3	0	0	0	111.3	I695 I711 W715 F719 I728 L755 I759 W760 S765 R766 Y767	I695-L763 HydrophobicContact CD1-CD2 3.99Å; I695-L763 HydrophobicContact CD1-CG 4.28Å; I695-L763 HydrophobicContact CG1-CD2 4.03Å; I711-L763 HydrophobicContact CD1-CD1 4.38Å; W715-L763 HydrophobicContact CH2-CD2 4.25Å; W715-L763 HydrophobicContact CZ3-CD1 4.3Å; W715-L763 HydrophobicContact CZ3-CD2 4.49Å; F719-L763 HydrophobicContact CD2-CD2 4.18Å; F719-L763 HydrophobicContact CE1-CD2 4.38Å; F719-L763 HydrophobicContact CE2-CD2 3.87Å; F719-L763 HydrophobicContact CZ-CD2 3.98Å; I728-L763 HydrophobicContact CD1-CB 4.19Å; L755-L763 HydrophobicContact CD1-CD1 3.7Å; I759-L763 HydrophobicContact CG2-CD1 3.98Å; I759-L763 HydrophobicContact CG2-CG 4.46Å; I759-L763 WeakPolarHBondContact O-CG 3.41Å; I759-L763 PolarHBondContact O-N 3.13Å; W760-L763 PolarHBondContact O-N 2.79Å; L763-S765 PolarHBondContact O-N 2.93Å; L763-R766 PolarHBondContact O-N 3.48Å; L763-Y767 HydrophobicContact CD2-CD2 4.44Å; L763-Y767 HydrophobicContact CD2-CE2 4.29Å; L763-Y767 WeakPolarHBondContact O-CD2 3.46Å; L763-Y767 PolarHBondContact O-N 3.45Å
764	Y	87.3	Confident	84.5	Confident	36 Å²	36	30.9 Å²	30.9	14%	0.141	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-179.4	-173.3	-103.2	0	0	0	112	F91 I728 W760 R766 G768 G769	F91-Y764 AromaticContact CE2-CD1 3.89Å; F91-Y764 HydrophobicContact CE2-CD1 3.89Å; F91-Y764 HydrophobicContact CE2-CE1 4.13Å; F91-Y764 HydrophobicContact CZ-CD1 4.14Å; F91-Y764 HydrophobicContact CZ-CE1 4.32Å; I728-Y764 HydrophobicContact CD1-CD2 4.39Å; W760-Y764 AromaticContact CZ2-CD2 3.67Å; W760-Y764 HydrophobicContact CZ2-CD2 3.67Å; W760-Y764 HydrophobicContact CZ2-CE2 4.36Å; W760-Y764 HydrophobicContact CZ2-CG 4.19Å; W760-Y764 AromaticContact NE1-CG 3.98Å; W760-Y764 WeakPolarHBondContact O-CB 3.24Å; W760-Y764 PolarHBondContact O-N 2.78Å; Y764-R766 VanDerWaalsContact C-N 3.28Å; Y764-R766 PolarHBondContact O-N 3.2Å; Y764-G768 VanDerWaalsContact O-CA 3.28Å; Y764-G768 WeakPolarHBondContact O-CA 3.25Å; Y764-G768 PolarHBondContact O-N 2.96Å; Y764-G769 WeakPolarHBondContact CE2-O 3.29Å
765	S	85.2	Confident	84.4	Confident	69 Å²	69	34.6 Å²	34.6	48%	0.483	20%	0.196	S	C	.	.	H	α-helix	trans	-71	-17.7	177.3	62.7	0	0	0	0	114.8	D761 N762 L763	D761-S765 WeakPolarHBondContact O-CB 3.49Å; D761-S765 PolarHBondContact O-N 2.95Å; D761-S765 PolarHBondContact O-OG 3.46Å; N762-S765 PolarHBondContact O-OG 3.46Å; L763-S765 PolarHBondContact O-N 2.93Å
766	R	85.4	Confident	84.5	Confident	125 Å²	125	35.3 Å²	35.3	47%	0.472	20%	0.2	S	C	.	.	H	α-helix	trans	-97.9	-39.2	175.9	-176.3	169.8	176.5	146.2	5.1	113.7	E691 N762 L763 Y764	E691-R766 IonicContact OE2-CZ 2.73Å; E691-R766 IonicContact OE2-NE 2.9Å; E691-R766 IonicContact OE2-NH1 3.73Å; E691-R766 PolarHBondContact OE2-NH1 3.01Å; N762-R766 PolarHBondContact O-N 2.96Å; L763-R766 PolarHBondContact O-N 3.48Å; Y764-R766 VanDerWaalsContact C-N 3.28Å; Y764-R766 PolarHBondContact O-N 3.2Å
767	Y	89.1	Confident	84.6	Confident	45 Å²	45	35.8 Å²	35.8	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-106	-21.6	-173.6	-64.1	-78.2	0	0	0	113.9	W715 F719 P725 P727 L763	W715-Y767 AromaticContact CH2-CD2 3.9Å; W715-Y767 HydrophobicContact CH2-CD2 3.9Å; W715-Y767 HydrophobicContact CH2-CE2 4.39Å; W715-Y767 HydrophobicContact CH2-CG 4.2Å; W715-Y767 HydrophobicContact CZ2-CD1 4.29Å; W715-Y767 HydrophobicContact CZ2-CD2 4.01Å; W715-Y767 AromaticContact CZ2-CG 3.82Å; W715-Y767 HydrophobicContact CZ2-CG 3.82Å; F719-Y767 AromaticContact CD2-CE2 3.92Å; F719-Y767 HydrophobicContact CD2-CE2 3.92Å; F719-Y767 AromaticContact CE2-CE2 3.85Å; F719-Y767 HydrophobicContact CE2-CE2 3.85Å; P725-Y767 HydrophobicContact CG-CD1 4.12Å; P725-Y767 HydrophobicContact CG-CE1 3.59Å; P727-Y767 VanDerWaalsContact CA-O 3.32Å; P727-Y767 WeakPolarHBondContact CA-O 3.36Å; P727-Y767 WeakPolarHBondContact CB-O 3.37Å; L763-Y767 HydrophobicContact CD2-CD2 4.44Å; L763-Y767 HydrophobicContact CD2-CE2 4.29Å; L763-Y767 WeakPolarHBondContact O-CD2 3.46Å; L763-Y767 PolarHBondContact O-N 3.45Å
768	G	87.7	Confident	84.9	Confident	23 Å²	23	35.9 Å²	35.9	24%	0.237	20%	0.199	C	C	.	.			trans	58.5	-148.4	-176.8	0	0	0	0	0	113.1	I728 Y764	I728-G768 WeakPolarHBondContact CB-O 3.35Å; I728-G768 WeakPolarHBondContact CG1-O 3.47Å; I728-G768 PolarHBondContact N-O 2.97Å; Y764-G768 VanDerWaalsContact O-CA 3.28Å; Y764-G768 WeakPolarHBondContact O-CA 3.25Å; Y764-G768 PolarHBondContact O-N 2.96Å
769	G	85.4	Confident	85.1	Confident	44 Å²	44	34.4 Å²	34.4	45%	0.454	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-147.5	-175.8	0	0	0	0	0	112.7	I728 Y764	I728-G769 CarbonylContact O-C 3.6Å; I728-G769 WeakPolarHBondContact O-CA 3.25Å; Y764-G769 WeakPolarHBondContact CE2-O 3.29Å
770	G	75.3	Confident	85.1	Confident	15 Å²	15	40 Å²	40	16%	0.155	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-154.9	177.5	0	0	0	0	0	114.5	I728 N730	I728-G770 PolarHBondContact O-N 2.81Å; N730-G770 PolarHBondContact N-O 2.77Å
771	P	80.7	Confident	84.9	Confident	53 Å²	53	42.4 Å²	42.4	34%	0.344	23%	0.232	S	C	.	.			cis	-65.1	151.8	-11.9	31	-36.5	0	0	0	110.8	N730 L734	N730-P771 PolarHBondContact ND2-O 2.82Å; L734-P771 HydrophobicContact CD1-CG 3.42Å; L734-P771 VanDerWaalsContact CD1-CG 3.42Å
772	A	84.1	Confident	85	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	23%	0.229	C	C	.	.			trans	-67.2	143	168.7	0	0	0	0	0	109.8	R80 E89 F709 W760	R80-A772 WeakPolarHBondContact CD-O 3.28Å; R80-A772 PolarHBondContact NE-O 2.85Å; R80-A772 PolarHBondContact NH1-O 2.96Å; E89-A772 WeakPolarHBondContact OE1-CB 3.27Å; E89-A772 WeakPolarHBondContact OE2-CB 3.37Å; F709-A772 HydrophobicContact CD1-CB 4.32Å; F709-A772 HydrophobicContact CE1-CB 4.26Å; W760-A772 HydrophobicContact CH2-CB 4.21Å; W760-A772 HydrophobicContact CZ2-CB 3.38Å
773	V	86.2	Confident	85.1	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	23%	0.233	C	C	.	.			trans	-132.1	129.2	-178.6	-174.1	0	0	0	0	108.4	F709 Y710 N730 F733 L734 L776	F709-V773 CarbonylContact C-O 3.51Å; F709-V773 WeakPolarHBondContact CA-O 3.21Å; F709-V773 WeakPolarHBondContact CD1-O 3.47Å; Y710-V773 HydrophobicContact CD2-CG1 4.04Å; Y710-V773 HydrophobicContact CG-CG1 4.38Å; Y710-V773 PolarHBondContact N-O 3.24Å; N730-V773 HydrophobicContact CB-CG2 4.41Å; F733-V773 HydrophobicContact CE2-CB 4.47Å; F733-V773 HydrophobicContact CE2-CG1 4.32Å; F733-V773 HydrophobicContact CE2-CG2 4.07Å; F733-V773 HydrophobicContact CZ-CB 4.43Å; F733-V773 HydrophobicContact CZ-CG2 4.04Å; L734-V773 HydrophobicContact CD1-CG2 3.72Å; L734-V773 HydrophobicContact CD2-CG2 4.37Å; L734-V773 HydrophobicContact CG-CG2 4.42Å; V773-L776 HydrophobicContact CG1-CD2 3.84Å
774	N	84.4	Confident	85.1	Confident	23 Å²	23	46.7 Å²	46.7	12%	0.123	25%	0.254	C	S	.	.	S	Bend	trans	-132.6	5.5	172.2	61.1	4.2	0	0	0	112.4	T78 Q708 F709	T78-N774 WeakPolarHBondContact CB-OD1 3.49Å; T78-N774 VanDerWaalsContact O-CG 3.28Å; T78-N774 PolarHBondContact O-ND2 2.88Å; T78-N774 PolarHBondContact O-OD1 3.04Å; Q708-N774 VanDerWaalsContact O-CA 3.29Å; Q708-N774 WeakPolarHBondContact O-CA 3.34Å; Q708-N774 WeakPolarHBondContact O-CB 3.33Å; F709-N774 HydrophobicContact CD1-CB 3.97Å; F709-N774 HydrophobicContact CE1-CB 4.08Å; F709-N774 HydrophobicContact CG-CB 4.34Å
775	H	82.7	Confident	85.1	Confident	83 Å²	83	49.5 Å²	49.5	38%	0.384	27%	0.268	S	S	.	.	S	Bend	trans	-149.9	126.6	174	179.3	-84.7	0	0	0	109.7	T78 Y777	T78-H775 HydrophobicContact CG2-CB 4.12Å; H775-Y777 AromaticContact ND1-CD1 4Å
776	L	86.5	Confident	85.2	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.094	27%	0.265	C	S	.	.			trans	-98.5	137.1	178.1	-64.4	173.2	0	0	0	111.1	L127 P130 Y710 F733 V740 I748 V752 V773	L127-L776 HydrophobicContact CD1-CB 3.74Å; P130-L776 HydrophobicContact CG-CD1 3.93Å; Y710-L776 HydrophobicContact CD1-CD1 3.41Å; Y710-L776 VanDerWaalsContact CD1-CD1 3.41Å; Y710-L776 HydrophobicContact CD1-CD2 4.43Å; Y710-L776 HydrophobicContact CD1-CG 3.84Å; Y710-L776 HydrophobicContact CD2-CD1 4.46Å; Y710-L776 HydrophobicContact CD2-CD2 4.47Å; Y710-L776 HydrophobicContact CD2-CG 3.98Å; Y710-L776 HydrophobicContact CE1-CD1 3.4Å; Y710-L776 VanDerWaalsContact CE1-CD1 3.4Å; Y710-L776 HydrophobicContact CE1-CG 3.9Å; Y710-L776 HydrophobicContact CE2-CD1 4.48Å; Y710-L776 HydrophobicContact CE2-CG 4.08Å; Y710-L776 HydrophobicContact CG-CD1 3.96Å; Y710-L776 HydrophobicContact CG-CD2 4.16Å; Y710-L776 HydrophobicContact CG-CG 3.86Å; F733-L776 HydrophobicContact CD2-CD2 4.03Å; F733-L776 HydrophobicContact CE2-CD2 3.7Å; V740-L776 HydrophobicContact CG2-CB 4.41Å; V740-L776 HydrophobicContact CG2-CD2 3.91Å; I748-L776 HydrophobicContact CG1-CD1 3.89Å; V752-L776 HydrophobicContact CG2-CD1 4.15Å; V773-L776 HydrophobicContact CG1-CD2 3.84Å
777	Y	84.8	Confident	85.5	Confident	41 Å²	41	47.9 Å²	47.9	16%	0.161	27%	0.267	C	S	.	.			trans	-146.8	151.3	174.9	63.3	-83.6	0	0	0	110.6	P38 N39 H737 G738 V740 H775 C779	P38-Y777 HydrophobicContact CB-CE1 4.2Å; P38-Y777 HydrophobicContact CB-CE2 4.44Å; P38-Y777 HydrophobicContact CG-CD1 4.43Å; P38-Y777 HydrophobicContact CG-CD2 3.87Å; P38-Y777 HydrophobicContact CG-CE1 4.05Å; P38-Y777 HydrophobicContact CG-CE2 3.45Å; P38-Y777 VanDerWaalsContact CG-CE2 3.45Å; P38-Y777 HydrophobicContact CG-CG 4.34Å; N39-Y777 PolarHBondContact OD1-OH 3.09Å; H737-Y777 PolarHBondContact O-OH 3.15Å; G738-Y777 VanDerWaalsContact C-OH 3.23Å; G738-Y777 WeakPolarHBondContact O-CE1 3.46Å; G738-Y777 PolarHBondContact O-OH 2.93Å; V740-Y777 WeakPolarHBondContact CB-O 3.34Å; V740-Y777 PolarHBondContact N-O 2.86Å; H775-Y777 AromaticContact ND1-CD1 4Å; Y777-C779 PolarHBondContact O-N 3.31Å
778	I	87.1	Confident	85.6	Confident	45 Å²	45	53.3 Å²	53.3	23%	0.231	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-70.8	127.9	174.2	-58.2	176.7	0	0	0	108.7	L127 P742 A745 H780	L127-I778 HydrophobicContact CD1-CG1 4.42Å; L127-I778 HydrophobicContact CD2-CD1 4.19Å; L127-I778 HydrophobicContact CD2-CG1 3.79Å; L127-I778 HydrophobicContact CG-CG1 4.04Å; P742-I778 HydrophobicContact CB-CG2 4.26Å; P742-I778 HydrophobicContact CG-CG2 3.91Å; A745-I778 HydrophobicContact CB-CD1 4.08Å; A745-I778 HydrophobicContact CB-CG1 3.99Å; I778-H780 PolarHBondContact O-N 3.13Å; I778-H780 VanDerWaalsContact O-N 3.08Å
779	C	85.8	Confident	85.7	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.02	30%	0.296	C	S	.	.			trans	-68.7	105.6	177.3	179.3	0	0	0	0	110.9	C735 V740 Y777 T781 C782 Q783	C735-C779 PolarHBondContact SG-SG 2.84Å; V740-C779 WeakPolarHBondContact O-CB 3.45Å; V740-C779 PolarHBondContact O-N 3.05Å; Y777-C779 PolarHBondContact O-N 3.31Å; C779-T781 VanDerWaalsContact C-N 3.34Å; C779-T781 PolarHBondContact O-N 3.06Å; C779-C782 HydrophobicContact CB-CB 4.14Å; C779-C782 PolarHBondContact O-N 2.84Å; C779-C782 PolarHBondContact SG-N 3.48Å; C779-C782 VanDerWaalsContact SG-N 3.45Å; C779-C782 VanDerWaalsContact SG-SG 3.67Å; C779-Q783 PolarHBondContact O-N 2.89Å
780	H	83.3	Confident	86	Confident	119 Å²	119	57.9 Å²	57.9	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-65.6	-33	-180	-168.7	52.5	0	0	0	113.1	I778 Q783 I784	I778-H780 PolarHBondContact O-N 3.13Å; I778-H780 VanDerWaalsContact O-N 3.08Å; H780-Q783 PolarHBondContact ND1-OE1 2.9Å; H780-Q783 WeakPolarHBondContact O-CB 3.46Å; H780-Q783 PolarHBondContact O-N 3.34Å; H780-Q783 VanDerWaalsContact O-N 3.15Å; H780-I784 WeakPolarHBondContact O-CG1 3.27Å; H780-I784 PolarHBondContact O-N 3.1Å
781	T	83.1	Confident	86.8	Confident	50 Å²	50	64.6 Å²	64.6	31%	0.307	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-52.6	173.5	-43.4	0	0	0	0	110.8	C779 Q783 I784 E785	C779-T781 VanDerWaalsContact C-N 3.34Å; C779-T781 PolarHBondContact O-N 3.06Å; T781-Q783 PolarHBondContact O-N 2.88Å; T781-I784 PolarHBondContact O-N 2.79Å; T781-E785 VanDerWaalsContact O-CG 3.32Å; T781-E785 WeakPolarHBondContact O-CG 3.43Å; T781-E785 PolarHBondContact O-N 3.46Å
782	C	86.4	Confident	87.4	Confident	25 Å²	25	66.2 Å²	66.2	17%	0.169	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-19.9	177.2	-65.5	0	0	0	0	113.6	C735 H737 P742 C779 E785 A786	C735-C782 VanDerWaalsContact SG-SG 3.64Å; H737-C782 PolarHBondContact ND1-SG 2.92Å; P742-C782 HydrophobicContact CG-CB 4.5Å; C779-C782 HydrophobicContact CB-CB 4.14Å; C779-C782 PolarHBondContact O-N 2.84Å; C779-C782 PolarHBondContact SG-N 3.48Å; C779-C782 VanDerWaalsContact SG-N 3.45Å; C779-C782 VanDerWaalsContact SG-SG 3.67Å; C782-E785 WeakPolarHBondContact CA-OE2 3.27Å; C782-E785 PolarHBondContact SG-OE2 3.35Å; C782-A786 VanDerWaalsContact O-CB 3.27Å; C782-A786 WeakPolarHBondContact O-CB 3.37Å; C782-A786 PolarHBondContact O-N 3.34Å; C782-A786 VanDerWaalsContact O-N 3.07Å
783	Q	87.9	Confident	87.9	Confident	65 Å²	65	67.5 Å²	67.5	30%	0.304	33%	0.325	S	S	.	.	H	α-helix	trans	-71.5	-51	170.3	-171.1	-171.8	-15.7	0	0	111.1	P742 C779 H780 T781 E785 A786 E787	P742-Q783 HydrophobicContact CG-CB 3.78Å; P742-Q783 HydrophobicContact CG-CG 4.39Å; C779-Q783 PolarHBondContact O-N 2.89Å; H780-Q783 PolarHBondContact ND1-OE1 2.9Å; H780-Q783 WeakPolarHBondContact O-CB 3.46Å; H780-Q783 PolarHBondContact O-N 3.34Å; H780-Q783 VanDerWaalsContact O-N 3.15Å; T781-Q783 PolarHBondContact O-N 2.88Å; Q783-E785 VanDerWaalsContact C-N 3.26Å; Q783-E785 PolarHBondContact O-N 2.97Å; Q783-A786 PolarHBondContact O-N 2.69Å; Q783-E787 HydrophobicContact CG-CG 4.48Å; Q783-E787 VanDerWaalsContact CG-OE1 3.3Å; Q783-E787 WeakPolarHBondContact CG-OE1 3.35Å; Q783-E787 PolarHBondContact NE2-OE1 2.94Å; Q783-E787 WeakPolarHBondContact O-CB 3.2Å; Q783-E787 WeakPolarHBondContact O-CG 3.43Å; Q783-E787 PolarHBondContact O-N 2.75Å
784	I	88.1	Confident	88.3	Confident	88 Å²	88	72.8 Å²	72.8	45%	0.451	35%	0.347	S	S	.	.	H	α-helix	trans	-58.8	-40.6	176.5	-64.6	164.2	0	0	0	110.5	H780 T781 K788	H780-I784 WeakPolarHBondContact O-CG1 3.27Å; H780-I784 PolarHBondContact O-N 3.1Å; T781-I784 PolarHBondContact O-N 2.79Å; I784-K788 WeakPolarHBondContact O-CB 3.35Å; I784-K788 PolarHBondContact O-N 3.22Å
785	E	87.6	Confident	88.7	Confident	94 Å²	94	74.7 Å²	74.7	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-47.4	175.5	-69.2	173.1	139.3	0	0	112.1	H737 T781 C782 Q783 K788 I789	H737-E785 IonicContact CE1-OE2 2.76Å; T781-E785 VanDerWaalsContact O-CG 3.32Å; T781-E785 WeakPolarHBondContact O-CG 3.43Å; T781-E785 PolarHBondContact O-N 3.46Å; C782-E785 WeakPolarHBondContact CA-OE2 3.27Å; C782-E785 PolarHBondContact SG-OE2 3.35Å; Q783-E785 VanDerWaalsContact C-N 3.26Å; Q783-E785 PolarHBondContact O-N 2.97Å; E785-K788 PolarHBondContact O-N 2.86Å; E785-I789 VanDerWaalsContact O-CG1 3.31Å; E785-I789 WeakPolarHBondContact O-CG1 3.46Å; E785-I789 PolarHBondContact O-N 3.13Å
786	A	88.3	Confident	89.3	Confident	51 Å²	51	71 Å²	71	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-45.4	178	0	0	0	0	0	112.4	C782 Q783 K788 I789 E790	C782-A786 VanDerWaalsContact O-CB 3.27Å; C782-A786 WeakPolarHBondContact O-CB 3.37Å; C782-A786 PolarHBondContact O-N 3.34Å; C782-A786 VanDerWaalsContact O-N 3.07Å; Q783-A786 PolarHBondContact O-N 2.69Å; A786-K788 VanDerWaalsContact C-N 3.3Å; A786-K788 PolarHBondContact O-N 3.22Å; A786-I789 PolarHBondContact O-N 3.25Å; A786-E790 WeakPolarHBondContact O-CB 3.43Å; A786-E790 PolarHBondContact O-N 2.83Å
787	E	91.1	Very high	89.7	Confident	109 Å²	109	72.8 Å²	72.8	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-37.6	176.8	-71.8	173.7	-169.7	0	0	111.8	Q783 K791	Q783-E787 HydrophobicContact CG-CG 4.48Å; Q783-E787 VanDerWaalsContact CG-OE1 3.3Å; Q783-E787 WeakPolarHBondContact CG-OE1 3.35Å; Q783-E787 PolarHBondContact NE2-OE1 2.94Å; Q783-E787 WeakPolarHBondContact O-CB 3.2Å; Q783-E787 WeakPolarHBondContact O-CG 3.43Å; Q783-E787 PolarHBondContact O-N 2.75Å; E787-K791 VanDerWaalsContact O-CB 3.28Å; E787-K791 WeakPolarHBondContact O-CB 3.28Å; E787-K791 PolarHBondContact O-N 2.88Å
788	K	90.8	Very high	90.2	Very high	160 Å²	160	76.1 Å²	76.1	70%	0.696	37%	0.369	S	S	*	.	H	α-helix	trans	-67.7	-41.3	174.9	-176.7	-179	179.2	-176	0	112.4	I784 E785 A786 R792	I784-K788 WeakPolarHBondContact O-CB 3.35Å; I784-K788 PolarHBondContact O-N 3.22Å; E785-K788 PolarHBondContact O-N 2.86Å; A786-K788 VanDerWaalsContact C-N 3.3Å; A786-K788 PolarHBondContact O-N 3.22Å; K788-R792 WeakPolarHBondContact O-CB 3.3Å; K788-R792 PolarHBondContact O-N 3.27Å; K788-R792 VanDerWaalsContact O-N 3.08Å
789	I	90.2	Very high	90.6	Very high	66 Å²	66	75.9 Å²	75.9	34%	0.338	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-44.9	175.1	-71.3	165.7	0	0	0	110.4	E785 A786 R792 R793 F830	E785-I789 VanDerWaalsContact O-CG1 3.31Å; E785-I789 WeakPolarHBondContact O-CG1 3.46Å; E785-I789 PolarHBondContact O-N 3.13Å; A786-I789 PolarHBondContact O-N 3.25Å; I789-R792 WeakPolarHBondContact O-CB 3.38Å; I789-R792 PolarHBondContact O-N 3.28Å; I789-R792 VanDerWaalsContact O-N 3.15Å; I789-R793 HydrophobicContact CG2-CG 4.46Å; I789-R793 WeakPolarHBondContact O-CG 3.29Å; I789-R793 PolarHBondContact O-N 3.42Å; I789-F830 HydrophobicContact CG2-CE2 4.02Å; I789-F830 HydrophobicContact CG2-CZ 4.4Å
790	E	91	Very high	91	Very high	96 Å²	96	77 Å²	77	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-40.9	-178.6	-165.9	55.4	-147.2	0	0	112.1	A786 R792 R793 K794	A786-E790 WeakPolarHBondContact O-CB 3.43Å; A786-E790 PolarHBondContact O-N 2.83Å; E790-R792 VanDerWaalsContact C-N 3.27Å; E790-R792 PolarHBondContact O-N 3.3Å; E790-R793 PolarHBondContact O-N 3.25Å; E790-R793 VanDerWaalsContact OE2-CD 3.29Å; E790-R793 WeakPolarHBondContact OE2-CD 3.37Å; E790-R793 IonicContact OE2-CZ 2.64Å; E790-R793 IonicContact OE2-NE 3.55Å; E790-R793 IonicContact OE2-NH1 3.15Å; E790-R793 PolarHBondContact OE2-NH1 3.46Å; E790-K794 WeakPolarHBondContact O-CB 3.48Å; E790-K794 PolarHBondContact O-N 2.84Å
791	K	93.3	Very high	91.5	Very high	157 Å²	157	75.6 Å²	75.6	68%	0.683	37%	0.368	S	S	*	.	H	α-helix	trans	-58.4	-39.8	170.5	-176.5	175.5	-179.7	177.3	0	112	E787 T795	E787-K791 VanDerWaalsContact O-CB 3.28Å; E787-K791 WeakPolarHBondContact O-CB 3.28Å; E787-K791 PolarHBondContact O-N 2.88Å; K791-T795 WeakPolarHBondContact O-CB 3.29Å; K791-T795 PolarHBondContact O-N 2.86Å; K791-T795 PolarHBondContact O-OG1 3.23Å
792	R	92.9	Very high	92.1	Very high	86 Å²	86	81.1 Å²	81.1	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-53	175.9	176.8	-178.3	172.2	-175.9	-3.9	111.3	K788 I789 E790 K794 T795 E796 Y878	K788-R792 WeakPolarHBondContact O-CB 3.3Å; K788-R792 PolarHBondContact O-N 3.27Å; K788-R792 VanDerWaalsContact O-N 3.08Å; I789-R792 WeakPolarHBondContact O-CB 3.38Å; I789-R792 PolarHBondContact O-N 3.28Å; I789-R792 VanDerWaalsContact O-N 3.15Å; E790-R792 VanDerWaalsContact C-N 3.27Å; E790-R792 PolarHBondContact O-N 3.3Å; R792-K794 VanDerWaalsContact C-N 3.34Å; R792-K794 PolarHBondContact O-N 3.17Å; R792-T795 PolarHBondContact O-N 2.95Å; R792-T795 VanDerWaalsContact O-N 3.15Å; R792-E796 WeakPolarHBondContact CG-OE1 3.34Å; R792-E796 IonicContact CZ-OE1 3.25Å; R792-E796 VanDerWaalsContact CZ-OE1 3.29Å; R792-E796 IonicContact NE-OE1 2.63Å; R792-E796 PolarHBondContact NE-OE1 3.13Å; R792-E796 IonicContact NH2-OE1 3.69Å; R792-E796 PolarHBondContact NH2-OE1 2.84Å; R792-E796 PolarHBondContact O-N 2.63Å; R792-Y878 PolarHBondContact NH2-OH 3.19Å
793	R	93.8	Very high	92.4	Very high	30 Å²	30	81.2 Å²	81.2	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-52	-51	177.2	-71.6	170.6	169.8	164.8	-8.8	111.8	I789 E790 T795 E796 L797 F830 D835	I789-R793 HydrophobicContact CG2-CG 4.46Å; I789-R793 WeakPolarHBondContact O-CG 3.29Å; I789-R793 PolarHBondContact O-N 3.42Å; E790-R793 PolarHBondContact O-N 3.25Å; E790-R793 VanDerWaalsContact OE2-CD 3.29Å; E790-R793 WeakPolarHBondContact OE2-CD 3.37Å; E790-R793 IonicContact OE2-CZ 2.64Å; E790-R793 IonicContact OE2-NE 3.55Å; E790-R793 IonicContact OE2-NH1 3.15Å; E790-R793 PolarHBondContact OE2-NH1 3.46Å; R793-T795 PolarHBondContact O-N 2.84Å; R793-E796 PolarHBondContact O-N 2.96Å; R793-L797 WeakPolarHBondContact O-CB 3.42Å; R793-L797 PolarHBondContact O-N 3.11Å; R793-F830 WeakPolarHBondContact CD-O 3.4Å; R793-F830 HydrophobicContact CG-CD1 4.4Å; R793-F830 HydrophobicContact CG-CD2 4.36Å; R793-F830 HydrophobicContact CG-CE1 3.96Å; R793-F830 HydrophobicContact CG-CE2 3.92Å; R793-F830 HydrophobicContact CG-CZ 3.7Å; R793-F830 WeakPolarHBondContact CG-O 3.36Å; R793-F830 PolarHBondContact NE-O 2.81Å; R793-D835 PolarHBondContact NH2-O 2.81Å
794	K	94.5	Very high	92.5	Very high	120 Å²	120	80.9 Å²	80.9	52%	0.522	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-46.2	178.2	-180	170.2	177.4	174.2	0	112	E790 R792 L797 E798	E790-K794 WeakPolarHBondContact O-CB 3.48Å; E790-K794 PolarHBondContact O-N 2.84Å; R792-K794 VanDerWaalsContact C-N 3.34Å; R792-K794 PolarHBondContact O-N 3.17Å; K794-L797 PolarHBondContact O-N 3.33Å; K794-E798 WeakPolarHBondContact CE-OE1 3.26Å; K794-E798 HydrophobicContact CG-CG 4.32Å; K794-E798 IonicContact NZ-OE1 2.82Å; K794-E798 WeakPolarHBondContact O-CB 3.32Å; K794-E798 VanDerWaalsContact O-CG 3.3Å; K794-E798 WeakPolarHBondContact O-CG 3.24Å; K794-E798 PolarHBondContact O-N 2.79Å
795	T	94.6	Very high	92.6	Very high	62 Å²	62	84.1 Å²	84.1	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-41.7	179.6	-58.9	0	0	0	0	111.8	K791 R792 R793 I799	K791-T795 WeakPolarHBondContact O-CB 3.29Å; K791-T795 PolarHBondContact O-N 2.86Å; K791-T795 PolarHBondContact O-OG1 3.23Å; R792-T795 PolarHBondContact O-N 2.95Å; R792-T795 VanDerWaalsContact O-N 3.15Å; R793-T795 PolarHBondContact O-N 2.84Å; T795-I799 HydrophobicContact CG2-CD1 3.84Å; T795-I799 WeakPolarHBondContact O-CB 3.28Å; T795-I799 VanDerWaalsContact O-CG1 3.26Å; T795-I799 WeakPolarHBondContact O-CG1 3.41Å; T795-I799 PolarHBondContact O-N 3.01Å
796	E	94.8	Very high	92.6	Very high	6 Å²	6	82.3 Å²	82.3	3%	0.028	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-43.5	176.2	-74.3	-173.2	-146	0	0	112.3	R792 R793 F800 W827 V831 F873 I877 Y878	R792-E796 WeakPolarHBondContact CG-OE1 3.34Å; R792-E796 IonicContact CZ-OE1 3.25Å; R792-E796 VanDerWaalsContact CZ-OE1 3.29Å; R792-E796 IonicContact NE-OE1 2.63Å; R792-E796 PolarHBondContact NE-OE1 3.13Å; R792-E796 IonicContact NH2-OE1 3.69Å; R792-E796 PolarHBondContact NH2-OE1 2.84Å; R792-E796 PolarHBondContact O-N 2.63Å; R793-E796 PolarHBondContact O-N 2.96Å; E796-F800 WeakPolarHBondContact O-CB 3.33Å; E796-F800 PolarHBondContact O-N 3.43Å; E796-W827 HydrophobicContact CB-CZ2 4.38Å; E796-W827 PolarHBondContact OE2-NE1 3.2Å; E796-V831 HydrophobicContact CB-CG1 3.97Å; E796-F873 HydrophobicContact CB-CZ 4.42Å; E796-F873 HydrophobicContact CG-CZ 4.18Å; E796-I877 HydrophobicContact CG-CD1 3.94Å; E796-Y878 VanDerWaalsContact CD-OH 3.25Å; E796-Y878 PolarHBondContact OE1-OH 3.13Å; E796-Y878 VanDerWaalsContact OE1-OH 3.1Å; E796-Y878 WeakPolarHBondContact OE2-CE2 3.34Å; E796-Y878 PolarHBondContact OE2-OH 3.22Å
797	L	94.9	Very high	92.6	Very high	55 Å²	55	80.9 Å²	80.9	29%	0.288	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-42.7	178.3	-175.5	58.8	0	0	0	112.4	R793 K794 F800 I801 V831	R793-L797 WeakPolarHBondContact O-CB 3.42Å; R793-L797 PolarHBondContact O-N 3.11Å; K794-L797 PolarHBondContact O-N 3.33Å; L797-F800 PolarHBondContact O-N 2.77Å; L797-I801 HydrophobicContact CD1-CD1 3.86Å; L797-I801 HydrophobicContact CD1-CG1 4.16Å; L797-I801 HydrophobicContact CG-CD1 3.82Å; L797-I801 WeakPolarHBondContact O-CB 3.43Å; L797-I801 VanDerWaalsContact O-CG1 3.25Å; L797-I801 WeakPolarHBondContact O-CG1 3.33Å; L797-I801 PolarHBondContact O-N 3.38Å; L797-V831 HydrophobicContact CB-CB 4.31Å; L797-V831 HydrophobicContact CB-CG2 4.47Å; L797-V831 HydrophobicContact CD1-CG2 4.14Å
798	E	96	Very high	92.3	Very high	111 Å²	111	82.6 Å²	82.6	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-41.3	177	-75.9	176.6	163.3	0	0	112	K794 R802	K794-E798 WeakPolarHBondContact CE-OE1 3.26Å; K794-E798 HydrophobicContact CG-CG 4.32Å; K794-E798 IonicContact NZ-OE1 2.82Å; K794-E798 WeakPolarHBondContact O-CB 3.32Å; K794-E798 VanDerWaalsContact O-CG 3.3Å; K794-E798 WeakPolarHBondContact O-CG 3.24Å; K794-E798 PolarHBondContact O-N 2.79Å; E798-R802 WeakPolarHBondContact O-CB 3.38Å; E798-R802 PolarHBondContact O-N 3.21Å; E798-R802 VanDerWaalsContact O-N 3.14Å
799	I	95	Very high	92	Very high	41 Å²	41	81.6 Å²	81.6	21%	0.21	38%	0.38	C	S	.	.	H	α-helix	trans	-67.5	-46	175.6	-67.2	168.2	0	0	0	110.6	T795 I801 R802 L803 F873	T795-I799 HydrophobicContact CG2-CD1 3.84Å; T795-I799 WeakPolarHBondContact O-CB 3.28Å; T795-I799 VanDerWaalsContact O-CG1 3.26Å; T795-I799 WeakPolarHBondContact O-CG1 3.41Å; T795-I799 PolarHBondContact O-N 3.01Å; I799-I801 PolarHBondContact O-N 2.79Å; I799-R802 PolarHBondContact O-N 2.87Å; I799-L803 HydrophobicContact CG2-CD1 3.82Å; I799-L803 HydrophobicContact CG2-CG 4.18Å; I799-L803 WeakPolarHBondContact O-CG 3.47Å; I799-L803 PolarHBondContact O-N 2.88Å; I799-F873 HydrophobicContact CB-CE1 4.09Å; I799-F873 HydrophobicContact CB-CE2 4.07Å; I799-F873 HydrophobicContact CB-CZ 3.75Å; I799-F873 HydrophobicContact CD1-CE2 3.67Å; I799-F873 HydrophobicContact CD1-CZ 3.92Å; I799-F873 HydrophobicContact CG1-CE2 4.47Å; I799-F873 HydrophobicContact CG1-CZ 4.44Å; I799-F873 HydrophobicContact CG2-CD1 3.96Å; I799-F873 HydrophobicContact CG2-CD2 3.75Å; I799-F873 HydrophobicContact CG2-CE1 3.82Å; I799-F873 HydrophobicContact CG2-CE2 3.61Å; I799-F873 HydrophobicContact CG2-CG 3.93Å; I799-F873 HydrophobicContact CG2-CZ 3.65Å
800	F	94.7	Very high	91.7	Very high	27 Å²	27	83.1 Å²	83.1	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-59.6	-47.2	177.9	177	-93.6	0	0	0	112.2	E796 L797 R802 L803 N804 F824 W827 T870	E796-F800 WeakPolarHBondContact O-CB 3.33Å; E796-F800 PolarHBondContact O-N 3.43Å; L797-F800 PolarHBondContact O-N 2.77Å; F800-R802 VanDerWaalsContact C-N 3.27Å; F800-R802 PolarHBondContact O-N 3.4Å; F800-L803 PolarHBondContact O-N 2.8Å; F800-N804 HydrophobicContact CE1-CB 4.27Å; F800-N804 HydrophobicContact CZ-CB 4.34Å; F800-N804 VanDerWaalsContact O-CB 3.25Å; F800-N804 WeakPolarHBondContact O-CB 3.35Å; F800-N804 PolarHBondContact O-N 3.14Å; F800-F824 HydrophobicContact CE1-CZ 4.3Å; F800-F824 AromaticContact CE2-CE2 3.8Å; F800-F824 HydrophobicContact CE2-CE2 3.8Å; F800-F824 HydrophobicContact CE2-CZ 4.09Å; F800-F824 AromaticContact CZ-CE2 3.88Å; F800-F824 HydrophobicContact CZ-CE2 3.88Å; F800-F824 AromaticContact CZ-CZ 3.67Å; F800-F824 HydrophobicContact CZ-CZ 3.67Å; F800-W827 HydrophobicContact CB-CH2 3.58Å; F800-W827 HydrophobicContact CB-CZ2 4.03Å; F800-W827 AromaticContact CD1-CH2 3.81Å; F800-W827 HydrophobicContact CD1-CH2 3.81Å; F800-W827 HydrophobicContact CD1-CZ3 4.18Å; F800-W827 AromaticContact CD2-CH2 3.79Å; F800-W827 HydrophobicContact CD2-CH2 3.79Å; F800-W827 HydrophobicContact CD2-CZ3 4.15Å; F800-W827 HydrophobicContact CE1-CH2 4.49Å; F800-W827 HydrophobicContact CE1-CZ3 4.43Å; F800-W827 HydrophobicContact CE2-CH2 4.48Å; F800-W827 HydrophobicContact CE2-CZ3 4.39Å; F800-W827 AromaticContact CG-CH2 3.42Å; F800-W827 HydrophobicContact CG-CH2 3.42Å; F800-W827 VanDerWaalsContact CG-CH2 3.42Å; F800-W827 HydrophobicContact CG-CZ2 4.28Å; F800-W827 HydrophobicContact CG-CZ3 4.05Å; F800-T870 HydrophobicContact CD2-CG2 3.78Å; F800-T870 HydrophobicContact CE2-CG2 3.74Å
801	I	93.8	Very high	90.3	Very high	89 Å²	89	86 Å²	86	46%	0.456	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-39.2	177.9	-71.9	168.9	0	0	0	111	L797 I799 R805	L797-I801 HydrophobicContact CD1-CD1 3.86Å; L797-I801 HydrophobicContact CD1-CG1 4.16Å; L797-I801 HydrophobicContact CG-CD1 3.82Å; L797-I801 WeakPolarHBondContact O-CB 3.43Å; L797-I801 VanDerWaalsContact O-CG1 3.25Å; L797-I801 WeakPolarHBondContact O-CG1 3.33Å; L797-I801 PolarHBondContact O-N 3.38Å; I799-I801 PolarHBondContact O-N 2.79Å; I801-R805 WeakPolarHBondContact O-CB 3.41Å; I801-R805 PolarHBondContact O-N 2.74Å
802	R	94.9	Very high	89.2	Confident	166 Å²	166	83.9 Å²	83.9	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-67.2	-46.7	177.4	-175.5	-172.6	65.8	177.7	0.2	112.3	E798 I799 F800 R805 A806	E798-R802 WeakPolarHBondContact O-CB 3.38Å; E798-R802 PolarHBondContact O-N 3.21Å; E798-R802 VanDerWaalsContact O-N 3.14Å; I799-R802 PolarHBondContact O-N 2.87Å; F800-R802 VanDerWaalsContact C-N 3.27Å; F800-R802 PolarHBondContact O-N 3.4Å; R802-R805 PolarHBondContact O-N 3.5Å; R802-A806 PolarHBondContact O-N 3.21Å; R802-A806 VanDerWaalsContact O-N 3.08Å
803	L	92.6	Very high	88.3	Confident	26 Å²	26	80.8 Å²	80.8	14%	0.136	40%	0.4	C	S	.	.	H	α-helix	trans	-66.7	-45.9	179.5	-66.2	178	0	0	0	111.2	I799 F800 R805 A806 F807 E869 F873	I799-L803 HydrophobicContact CG2-CD1 3.82Å; I799-L803 HydrophobicContact CG2-CG 4.18Å; I799-L803 WeakPolarHBondContact O-CG 3.47Å; I799-L803 PolarHBondContact O-N 2.88Å; F800-L803 PolarHBondContact O-N 2.8Å; L803-R805 VanDerWaalsContact C-N 3.28Å; L803-R805 PolarHBondContact O-N 2.8Å; L803-A806 PolarHBondContact O-N 3.36Å; L803-F807 WeakPolarHBondContact O-CB 3.48Å; L803-F807 PolarHBondContact O-N 3.19Å; L803-E869 HydrophobicContact CD1-CB 4.22Å; L803-E869 HydrophobicContact CD2-CB 3.82Å; L803-F873 HydrophobicContact CD1-CB 3.9Å; L803-F873 HydrophobicContact CD1-CD1 4.41Å; L803-F873 HydrophobicContact CD1-CG 4.2Å
804	N	89.4	Confident	87.1	Confident	59 Å²	59	82.9 Å²	82.9	32%	0.316	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-35.1	175.9	-174	87.4	0	0	0	111.9	F800 Q808	F800-N804 HydrophobicContact CE1-CB 4.27Å; F800-N804 HydrophobicContact CZ-CB 4.34Å; F800-N804 VanDerWaalsContact O-CB 3.25Å; F800-N804 WeakPolarHBondContact O-CB 3.35Å; F800-N804 PolarHBondContact O-N 3.14Å; N804-Q808 VanDerWaalsContact O-CG 3.24Å; N804-Q808 WeakPolarHBondContact O-CG 3.44Å; N804-Q808 PolarHBondContact O-N 3.46Å; N804-Q808 VanDerWaalsContact O-N 3.16Å
805	R	90.1	Very high	86.5	Confident	155 Å²	155	79 Å²	79	59%	0.585	41%	0.41	S	S	*	.	H	α-helix	trans	-63.9	-51.5	172.5	-177.6	-176.8	-61.8	-171.3	-0.7	111.5	I801 R802 L803 F807 Q808 E809	I801-R805 WeakPolarHBondContact O-CB 3.41Å; I801-R805 PolarHBondContact O-N 2.74Å; R802-R805 PolarHBondContact O-N 3.5Å; L803-R805 VanDerWaalsContact C-N 3.28Å; L803-R805 PolarHBondContact O-N 2.8Å; R805-F807 PolarHBondContact O-N 2.93Å; R805-Q808 CarbonylContact O-C 3.55Å; R805-Q808 WeakPolarHBondContact O-CA 3.17Å; R805-Q808 PolarHBondContact O-N 3.2Å; R805-E809 WeakPolarHBondContact CD-OE1 3.39Å; R805-E809 HydrophobicContact CG-CG 4.35Å; R805-E809 WeakPolarHBondContact CG-OE1 3.34Å; R805-E809 WeakPolarHBondContact O-CG 3.44Å; R805-E809 PolarHBondContact O-N 3.36Å
806	A	89	Confident	86.1	Confident	56 Å²	56	78 Å²	78	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-56.5	-38	-179.8	0	0	0	0	0	111.9	R802 L803 Q808 E809 E810	R802-A806 PolarHBondContact O-N 3.21Å; R802-A806 VanDerWaalsContact O-N 3.08Å; L803-A806 PolarHBondContact O-N 3.36Å; A806-Q808 PolarHBondContact O-N 3.26Å; A806-E809 CarbonylContact O-C 3.58Å; A806-E809 PolarHBondContact O-N 2.96Å; A806-E809 VanDerWaalsContact O-N 3.15Å; A806-E810 PolarHBondContact O-N 3.32Å
807	F	87.1	Confident	86	Confident	22 Å²	22	78.5 Å²	78.5	10%	0.096	40%	0.402	C	S	.	.	H	α-helix	trans	-69.7	-25.5	175.3	-176.8	-117.9	0	0	0	114.6	L803 R805 E809 P813 F816 S867	L803-F807 WeakPolarHBondContact O-CB 3.48Å; L803-F807 PolarHBondContact O-N 3.19Å; R805-F807 PolarHBondContact O-N 2.93Å; F807-E809 VanDerWaalsContact C-N 3.35Å; F807-P813 HydrophobicContact CD2-CB 4.34Å; F807-P813 HydrophobicContact CD2-CG 4.44Å; F807-P813 HydrophobicContact CE2-CB 3.63Å; F807-P813 HydrophobicContact CE2-CG 3.71Å; F807-P813 HydrophobicContact CZ-CB 4.43Å; F807-P813 HydrophobicContact CZ-CG 4.14Å; F807-F816 AromaticContact CZ-CD1 3.73Å; F807-F816 HydrophobicContact CZ-CD1 3.73Å; F807-F816 AromaticContact CZ-CE1 3.85Å; F807-F816 HydrophobicContact CZ-CE1 3.85Å; F807-S867 VanDerWaalsContact CD2-CB 3.42Å
808	Q	84.2	Confident	85.8	Confident	145 Å²	145	75.9 Å²	75.9	68%	0.678	39%	0.389	S	S	*	.	H	α-helix	trans	-84.6	-12	171	-62.7	-70.9	-61.4	0	0	112.4	N804 R805 A806	N804-Q808 VanDerWaalsContact O-CG 3.24Å; N804-Q808 WeakPolarHBondContact O-CG 3.44Å; N804-Q808 PolarHBondContact O-N 3.46Å; N804-Q808 VanDerWaalsContact O-N 3.16Å; R805-Q808 CarbonylContact O-C 3.55Å; R805-Q808 WeakPolarHBondContact O-CA 3.17Å; R805-Q808 PolarHBondContact O-N 3.2Å; A806-Q808 PolarHBondContact O-N 3.26Å
809	E	86.1	Confident	85.7	Confident	138 Å²	138	70.6 Å²	70.6	65%	0.645	36%	0.364	S	S	*	.	S	Bend	trans	-96.2	1.4	173.5	-68.3	169.5	-179.1	0	0	111.8	R805 A806 F807	R805-E809 WeakPolarHBondContact CD-OE1 3.39Å; R805-E809 HydrophobicContact CG-CG 4.35Å; R805-E809 WeakPolarHBondContact CG-OE1 3.34Å; R805-E809 WeakPolarHBondContact O-CG 3.44Å; R805-E809 PolarHBondContact O-N 3.36Å; A806-E809 CarbonylContact O-C 3.58Å; A806-E809 PolarHBondContact O-N 2.96Å; A806-E809 VanDerWaalsContact O-N 3.15Å; F807-E809 VanDerWaalsContact C-N 3.35Å
810	E	82.7	Confident	85.7	Confident	98 Å²	98	69 Å²	69	46%	0.458	36%	0.356	S	S	.	.	S	Bend	trans	-92	114.2	-179.9	-172.2	177.7	-175	0	0	111.8	A806 S812 P813	A806-E810 PolarHBondContact O-N 3.32Å; E810-S812 PolarHBondContact O-N 3.32Å; E810-S812 VanDerWaalsContact O-N 3.11Å; E810-P813 HydrophobicContact CG-CB 4.41Å; E810-P813 WeakPolarHBondContact O-CD 3.3Å
811	D	62.5	Low	85.6	Confident	158 Å²	158	69.3 Å²	69.3	85%	0.845	36%	0.359	S	S	*	.	S	Bend	trans	-69.7	104.9	173.8	-79.9	-44.9	0	0	0	111
812	S	70.6	Confident	85.6	Confident	112 Å²	112	69.9 Å²	69.9	78%	0.783	36%	0.359	S	S	*	.	S	Bend	trans	63.4	65.5	175.3	64.6	0	0	0	0	116.6	E810 A814	E810-S812 PolarHBondContact O-N 3.32Å; E810-S812 VanDerWaalsContact O-N 3.11Å; S812-A814 PolarHBondContact O-N 2.88Å
813	P	73.5	Confident	85.5	Confident	21 Å²	21	62.3 Å²	62.3	14%	0.136	33%	0.331	C	S	.	.			trans	-54.6	126.9	175.3	19.9	-32.6	0	0	0	113.1	F807 E810 T815 F816	F807-P813 HydrophobicContact CD2-CB 4.34Å; F807-P813 HydrophobicContact CD2-CG 4.44Å; F807-P813 HydrophobicContact CE2-CB 3.63Å; F807-P813 HydrophobicContact CE2-CG 3.71Å; F807-P813 HydrophobicContact CZ-CB 4.43Å; F807-P813 HydrophobicContact CZ-CG 4.14Å; E810-P813 HydrophobicContact CG-CB 4.41Å; E810-P813 WeakPolarHBondContact O-CD 3.3Å; P813-T815 PolarHBondContact O-N 3.21Å; P813-F816 HydrophobicContact CB-CZ 4.45Å; P813-F816 HydrophobicContact CG-CE1 3.97Å; P813-F816 HydrophobicContact CG-CZ 3.86Å; P813-F816 WeakPolarHBondContact O-CE2 3.34Å
814	A	68.9	Low	85.6	Confident	74 Å²	74	62.6 Å²	62.6	61%	0.612	33%	0.331	S	S	*	.	S	Bend	trans	-82.7	-6.2	-171.8	0	0	0	0	0	114.7	S812 P888	S812-A814 PolarHBondContact O-N 2.88Å; A814-P888 WeakPolarHBondContact O-CD 3.49Å
815	T	80.7	Confident	85.8	Confident	39 Å²	39	65.5 Å²	65.5	24%	0.239	34%	0.338	C	S	.	.			trans	-156.6	136.4	-179.2	-74.2	0	0	0	0	110.2	P813 Y817 I885	P813-T815 PolarHBondContact O-N 3.21Å; T815-Y817 HydrophobicContact CG2-CD2 4.4Å; T815-Y817 HydrophobicContact CG2-CE2 3.92Å; T815-I885 HydrophobicContact CG2-CG2 3.48Å; T815-I885 VanDerWaalsContact CG2-CG2 3.48Å
816	F	86.9	Confident	85.8	Confident	40 Å²	40	62 Å²	62	18%	0.175	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.6	-179.8	-55.1	-104	0	0	0	109.6	F807 P813 Q865 L886 P888	F807-F816 AromaticContact CZ-CD1 3.73Å; F807-F816 HydrophobicContact CZ-CD1 3.73Å; F807-F816 AromaticContact CZ-CE1 3.85Å; F807-F816 HydrophobicContact CZ-CE1 3.85Å; P813-F816 HydrophobicContact CB-CZ 4.45Å; P813-F816 HydrophobicContact CG-CE1 3.97Å; P813-F816 HydrophobicContact CG-CZ 3.86Å; P813-F816 WeakPolarHBondContact O-CE2 3.34Å; F816-Q865 HydrophobicContact CD1-CB 4.26Å; F816-L886 HydrophobicContact CB-CB 4.29Å; F816-L886 PolarHBondContact N-O 3.22Å; F816-L886 PolarHBondContact O-N 2.74Å; F816-P888 HydrophobicContact CE2-CG 4.24Å
817	Y	91.8	Very high	86.1	Confident	16 Å²	16	59.5 Å²	59.5	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.6	171.8	-71.8	-107.6	0	0	0	109.3	T815 Q865 I866 E868 W871 E883 I885	T815-Y817 HydrophobicContact CG2-CD2 4.4Å; T815-Y817 HydrophobicContact CG2-CE2 3.92Å; Y817-Q865 CarbonylContact O-C 3.55Å; Y817-Q865 WeakPolarHBondContact O-CA 3.5Å; Y817-I866 PolarHBondContact N-O 3.13Å; Y817-I866 PolarHBondContact O-N 3.39Å; Y817-E868 HydrophobicContact CD2-CB 4.03Å; Y817-E868 HydrophobicContact CD2-CG 4.5Å; Y817-E868 HydrophobicContact CE2-CB 3.48Å; Y817-E868 VanDerWaalsContact CE2-CB 3.48Å; Y817-E868 HydrophobicContact CE2-CG 3.62Å; Y817-E868 VanDerWaalsContact CE2-OE2 3.31Å; Y817-E868 WeakPolarHBondContact CE2-OE2 3.49Å; Y817-E868 PolarHBondContact OH-OE2 3.21Å; Y817-W871 HydrophobicContact CD1-CB 3.79Å; Y817-W871 AromaticContact CD1-CD1 3.3Å; Y817-W871 AromaticContact CD1-CD2 3.88Å; Y817-W871 HydrophobicContact CD1-CD2 3.88Å; Y817-W871 AromaticContact CD1-CG 3.38Å; Y817-W871 HydrophobicContact CD1-CG 3.38Å; Y817-W871 AromaticContact CD1-NE1 3.73Å; Y817-W871 HydrophobicContact CD2-CB 4.44Å; Y817-W871 AromaticContact CE1-CD1 3.48Å; Y817-W871 VanDerWaalsContact CE1-CD1 3.48Å; Y817-W871 HydrophobicContact CE1-CG 4.04Å; Y817-W871 AromaticContact CE1-NE1 3.88Å; Y817-W871 HydrophobicContact CG-CB 3.74Å; Y817-W871 HydrophobicContact CG-CD2 4.48Å; Y817-W871 AromaticContact CG-CG 3.86Å; Y817-W871 HydrophobicContact CG-CG 3.86Å; Y817-E883 HydrophobicContact CD1-CG 4.01Å; Y817-E883 HydrophobicContact CE1-CG 3.87Å; Y817-I885 HydrophobicContact CD1-CG1 4.28Å; Y817-I885 HydrophobicContact CE1-CD1 4.2Å; Y817-I885 HydrophobicContact CE1-CG1 4.03Å
818	C	91.6	Very high	86.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.5	177.9	-71.5	0	0	0	0	111.8	N844 I847 L857 G864 V884 L886	C818-N844 PolarHBondContact O-ND2 2.89Å; C818-I847 HydrophobicContact CB-CD1 4.07Å; C818-L857 HydrophobicContact CB-CD1 4.13Å; C818-G864 WeakPolarHBondContact CA-O 3.04Å; C818-V884 HydrophobicContact CB-CB 4Å; C818-V884 HydrophobicContact CB-CG1 3.88Å; C818-V884 PolarHBondContact N-O 3.26Å; C818-L886 VanDerWaalsContact SG-CD1 3.53Å
819	I	93.9	Very high	86.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137	176.2	-161.8	166.2	0	0	0	111.4	M821 W823 F824 I842 S863 G864 I866 L874	I819-M821 HydrophobicContact CG2-CE 3.77Å; I819-M821 PolarHBondContact O-N 2.66Å; I819-W823 HydrophobicContact CD1-CE3 3.59Å; I819-W823 HydrophobicContact CD1-CZ3 3.63Å; I819-W823 HydrophobicContact CG1-CE3 4.16Å; I819-F824 HydrophobicContact CG2-CD2 4.42Å; I819-I842 HydrophobicContact CD1-CD1 4.25Å; I819-I842 HydrophobicContact CD1-CG2 4.33Å; I819-I842 HydrophobicContact CG1-CG2 4.1Å; I819-S863 WeakPolarHBondContact O-CA 3.36Å; I819-G864 PolarHBondContact N-O 2.8Å; I819-G864 PolarHBondContact O-N 3.17Å; I819-I866 HydrophobicContact CB-CD1 4.15Å; I819-I866 HydrophobicContact CD1-CD1 4.18Å; I819-I866 HydrophobicContact CG2-CD1 4.17Å; I819-I866 HydrophobicContact CG2-CG2 4.15Å; I819-L874 HydrophobicContact CD1-CD1 3.9Å
820	S	94.6	Very high	87	Confident	7 Å²	7	49 Å²	49	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	120.9	175.8	176.3	0	0	0	0	111.4	Q822 W823 F824 D843 N844	S820-Q822 PolarHBondContact O-N 3.21Å; S820-W823 PolarHBondContact O-N 2.89Å; S820-F824 WeakPolarHBondContact O-CB 3.38Å; S820-F824 PolarHBondContact O-N 3.02Å; S820-D843 WeakPolarHBondContact CB-O 3.21Å; S820-D843 PolarHBondContact OG-O 3.29Å; S820-N844 PolarHBondContact N-OD1 3.24Å
821	M	93.4	Very high	87.5	Confident	34 Å²	34	44.7 Å²	44.7	17%	0.167	24%	0.24	C	C	.	.	H	α-helix	trans	-70.5	-19	179.6	-69.2	-73.7	93.4	0	0	113.2	I819 F824 R825 D862	I819-M821 HydrophobicContact CG2-CE 3.77Å; I819-M821 PolarHBondContact O-N 2.66Å; M821-F824 HydrophobicContact CE-CB 3.51Å; M821-F824 HydrophobicContact CE-CD1 3.75Å; M821-F824 HydrophobicContact CE-CD2 4.42Å; M821-F824 HydrophobicContact CE-CG 3.63Å; M821-F824 HydrophobicContact SD-CD1 4.32Å; M821-R825 WeakPolarHBondContact O-CB 3.23Å; M821-R825 VanDerWaalsContact O-CD 3.26Å; M821-R825 WeakPolarHBondContact O-CD 3.36Å; M821-R825 WeakPolarHBondContact O-CG 3.5Å; M821-R825 PolarHBondContact O-N 2.76Å; M821-D862 WeakPolarHBondContact CB-O 3.45Å; M821-D862 VanDerWaalsContact CB-OD1 3.31Å; M821-D862 WeakPolarHBondContact CB-OD1 3.37Å; M821-D862 PolarHBondContact N-O 2.87Å
822	Q	92.4	Very high	88.7	Confident	101 Å²	101	42.3 Å²	42.3	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-55.9	166.9	178	58.4	37	0	0	110.4	S820 F824 R825 E826	S820-Q822 PolarHBondContact O-N 3.21Å; Q822-F824 VanDerWaalsContact C-N 3.35Å; Q822-F824 PolarHBondContact O-N 3.25Å; Q822-R825 PolarHBondContact O-N 3.01Å; Q822-E826 PolarHBondContact NE2-OE1 3.26Å; Q822-E826 PolarHBondContact O-N 3.12Å
823	W	94.3	Very high	89.3	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-41.1	179.5	-176	91.5	0	0	0	111.8	I819 S820 R825 E826 W827 P839 G840 P841 I842 L874 Y878	I819-W823 HydrophobicContact CD1-CE3 3.59Å; I819-W823 HydrophobicContact CD1-CZ3 3.63Å; I819-W823 HydrophobicContact CG1-CE3 4.16Å; S820-W823 PolarHBondContact O-N 2.89Å; W823-R825 VanDerWaalsContact C-N 3.32Å; W823-R825 PolarHBondContact O-N 3.4Å; W823-E826 WeakPolarHBondContact O-CB 3.32Å; W823-E826 PolarHBondContact O-N 3.02Å; W823-E826 VanDerWaalsContact O-N 3.14Å; W823-W827 HydrophobicContact CE3-CB 4.16Å; W823-W827 HydrophobicContact CH2-CB 3.78Å; W823-W827 AromaticContact CH2-CD1 3.86Å; W823-W827 AromaticContact CH2-CG 3.87Å; W823-W827 HydrophobicContact CH2-CG 3.87Å; W823-W827 HydrophobicContact CZ2-CB 4.34Å; W823-W827 HydrophobicContact CZ3-CB 3.67Å; W823-W827 AromaticContact CZ3-CG 3.97Å; W823-W827 HydrophobicContact CZ3-CG 3.97Å; W823-W827 PolarHBondContact O-N 2.73Å; W823-P839 HydrophobicContact CH2-CG 4.46Å; W823-P839 HydrophobicContact CZ2-CB 4.2Å; W823-P839 HydrophobicContact CZ2-CG 3.8Å; W823-G840 PolarHBondContact NE1-O 2.95Å; W823-P841 VanDerWaalsContact CD1-O 3.32Å; W823-P841 PolarHBondContact NE1-O 3.13Å; W823-I842 HydrophobicContact CD2-CB 4.44Å; W823-I842 HydrophobicContact CD2-CG1 4.01Å; W823-I842 HydrophobicContact CE3-CG1 4.22Å; W823-I842 HydrophobicContact CH2-CD1 4.44Å; W823-I842 HydrophobicContact CH2-CG1 3.96Å; W823-I842 HydrophobicContact CZ2-CG1 3.71Å; W823-I842 HydrophobicContact CZ3-CG1 4.2Å; W823-L874 HydrophobicContact CH2-CB 4.43Å; W823-L874 HydrophobicContact CH2-CD2 4.31Å; W823-L874 HydrophobicContact CZ3-CD1 4.25Å; W823-Y878 AromaticContact CH2-CD2 3.78Å; W823-Y878 HydrophobicContact CH2-CD2 3.78Å; W823-Y878 HydrophobicContact CH2-CE2 4.12Å; W823-Y878 HydrophobicContact CH2-CG 4.18Å; W823-Y878 HydrophobicContact CZ2-CD1 4.06Å; W823-Y878 AromaticContact CZ2-CD2 3.72Å; W823-Y878 HydrophobicContact CZ2-CD2 3.72Å; W823-Y878 HydrophobicContact CZ2-CE2 4.25Å; W823-Y878 AromaticContact CZ2-CG 3.63Å; W823-Y878 HydrophobicContact CZ2-CG 3.63Å
824	F	93.8	Very high	89.6	Confident	32 Å²	32	44.7 Å²	44.7	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-34.5	179	-172.4	-98.3	0	0	0	112.6	F800 I819 S820 M821 Q822 W827 E828	F800-F824 HydrophobicContact CE1-CZ 4.3Å; F800-F824 AromaticContact CE2-CE2 3.8Å; F800-F824 HydrophobicContact CE2-CE2 3.8Å; F800-F824 HydrophobicContact CE2-CZ 4.09Å; F800-F824 AromaticContact CZ-CE2 3.88Å; F800-F824 HydrophobicContact CZ-CE2 3.88Å; F800-F824 AromaticContact CZ-CZ 3.67Å; F800-F824 HydrophobicContact CZ-CZ 3.67Å; I819-F824 HydrophobicContact CG2-CD2 4.42Å; S820-F824 WeakPolarHBondContact O-CB 3.38Å; S820-F824 PolarHBondContact O-N 3.02Å; M821-F824 HydrophobicContact CE-CB 3.51Å; M821-F824 HydrophobicContact CE-CD1 3.75Å; M821-F824 HydrophobicContact CE-CD2 4.42Å; M821-F824 HydrophobicContact CE-CG 3.63Å; M821-F824 HydrophobicContact SD-CD1 4.32Å; Q822-F824 VanDerWaalsContact C-N 3.35Å; Q822-F824 PolarHBondContact O-N 3.25Å; F824-W827 AromaticContact CD2-CE3 3.98Å; F824-W827 HydrophobicContact CD2-CE3 3.98Å; F824-W827 HydrophobicContact CD2-CZ3 4.48Å; F824-W827 AromaticContact CE2-CE3 3.61Å; F824-W827 HydrophobicContact CE2-CE3 3.61Å; F824-W827 AromaticContact CE2-CZ3 3.66Å; F824-W827 HydrophobicContact CE2-CZ3 3.66Å; F824-W827 HydrophobicContact CZ-CE3 4.05Å; F824-W827 AromaticContact CZ-CZ3 3.85Å; F824-W827 HydrophobicContact CZ-CZ3 3.85Å; F824-W827 PolarHBondContact O-N 3.49Å; F824-E828 VanDerWaalsContact O-CB 3.26Å; F824-E828 WeakPolarHBondContact O-CB 3.19Å; F824-E828 PolarHBondContact O-N 2.94Å
825	R	92.8	Very high	89.7	Confident	121 Å²	121	45.2 Å²	45.2	46%	0.457	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-37.9	172.7	-73.2	164.4	-164.2	139.9	10.5	111.9	M821 Q822 W823 E828 S829 D862	M821-R825 WeakPolarHBondContact O-CB 3.23Å; M821-R825 VanDerWaalsContact O-CD 3.26Å; M821-R825 WeakPolarHBondContact O-CD 3.36Å; M821-R825 WeakPolarHBondContact O-CG 3.5Å; M821-R825 PolarHBondContact O-N 2.76Å; Q822-R825 PolarHBondContact O-N 3.01Å; W823-R825 VanDerWaalsContact C-N 3.32Å; W823-R825 PolarHBondContact O-N 3.4Å; R825-E828 PolarHBondContact O-N 3.41Å; R825-S829 VanDerWaalsContact O-CB 3.29Å; R825-S829 WeakPolarHBondContact O-CB 3.26Å; R825-S829 PolarHBondContact O-N 2.68Å; R825-D862 IonicContact CZ-OD1 3.71Å; R825-D862 IonicContact CZ-OD2 3.27Å; R825-D862 IonicContact NH1-OD2 2.98Å; R825-D862 PolarHBondContact NH1-OD2 2.98Å; R825-D862 VanDerWaalsContact NH2-CG 3.31Å; R825-D862 IonicContact NH2-OD1 2.71Å; R825-D862 PolarHBondContact NH2-OD1 2.9Å; R825-D862 IonicContact NH2-OD2 2.9Å; R825-D862 PolarHBondContact NH2-OD2 2.71Å
826	E	92	Very high	89.1	Confident	82 Å²	82	45.8 Å²	45.8	38%	0.383	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-46	173.6	-66.1	168.2	-153.3	0	0	111.1	Q822 W823 S829 F830 P839	Q822-E826 PolarHBondContact NE2-OE1 3.26Å; Q822-E826 PolarHBondContact O-N 3.12Å; W823-E826 WeakPolarHBondContact O-CB 3.32Å; W823-E826 PolarHBondContact O-N 3.02Å; W823-E826 VanDerWaalsContact O-N 3.14Å; E826-S829 PolarHBondContact O-N 2.88Å; E826-F830 PolarHBondContact O-N 2.96Å; E826-P839 HydrophobicContact CB-CB 4.06Å
827	W	94.5	Very high	88.7	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-46.4	173.2	177.5	78.6	0	0	0	112.7	E796 F800 W823 F824 S829 F830 V831 P839 L874 Y878	E796-W827 HydrophobicContact CB-CZ2 4.38Å; E796-W827 PolarHBondContact OE2-NE1 3.2Å; F800-W827 HydrophobicContact CB-CH2 3.58Å; F800-W827 HydrophobicContact CB-CZ2 4.03Å; F800-W827 AromaticContact CD1-CH2 3.81Å; F800-W827 HydrophobicContact CD1-CH2 3.81Å; F800-W827 HydrophobicContact CD1-CZ3 4.18Å; F800-W827 AromaticContact CD2-CH2 3.79Å; F800-W827 HydrophobicContact CD2-CH2 3.79Å; F800-W827 HydrophobicContact CD2-CZ3 4.15Å; F800-W827 HydrophobicContact CE1-CH2 4.49Å; F800-W827 HydrophobicContact CE1-CZ3 4.43Å; F800-W827 HydrophobicContact CE2-CH2 4.48Å; F800-W827 HydrophobicContact CE2-CZ3 4.39Å; F800-W827 AromaticContact CG-CH2 3.42Å; F800-W827 HydrophobicContact CG-CH2 3.42Å; F800-W827 VanDerWaalsContact CG-CH2 3.42Å; F800-W827 HydrophobicContact CG-CZ2 4.28Å; F800-W827 HydrophobicContact CG-CZ3 4.05Å; W823-W827 HydrophobicContact CE3-CB 4.16Å; W823-W827 HydrophobicContact CH2-CB 3.78Å; W823-W827 AromaticContact CH2-CD1 3.86Å; W823-W827 AromaticContact CH2-CG 3.87Å; W823-W827 HydrophobicContact CH2-CG 3.87Å; W823-W827 HydrophobicContact CZ2-CB 4.34Å; W823-W827 HydrophobicContact CZ3-CB 3.67Å; W823-W827 AromaticContact CZ3-CG 3.97Å; W823-W827 HydrophobicContact CZ3-CG 3.97Å; W823-W827 PolarHBondContact O-N 2.73Å; F824-W827 AromaticContact CD2-CE3 3.98Å; F824-W827 HydrophobicContact CD2-CE3 3.98Å; F824-W827 HydrophobicContact CD2-CZ3 4.48Å; F824-W827 AromaticContact CE2-CE3 3.61Å; F824-W827 HydrophobicContact CE2-CE3 3.61Å; F824-W827 AromaticContact CE2-CZ3 3.66Å; F824-W827 HydrophobicContact CE2-CZ3 3.66Å; F824-W827 HydrophobicContact CZ-CE3 4.05Å; F824-W827 AromaticContact CZ-CZ3 3.85Å; F824-W827 HydrophobicContact CZ-CZ3 3.85Å; F824-W827 PolarHBondContact O-N 3.49Å; W827-S829 VanDerWaalsContact C-N 3.28Å; W827-S829 PolarHBondContact O-N 3.22Å; W827-F830 WeakPolarHBondContact O-CB 3.28Å; W827-F830 PolarHBondContact O-N 3.12Å; W827-V831 HydrophobicContact CD2-CG1 4.3Å; W827-V831 HydrophobicContact CD2-CG2 4.41Å; W827-V831 HydrophobicContact CE3-CG2 4.37Å; W827-V831 HydrophobicContact CH2-CG2 3.94Å; W827-V831 HydrophobicContact CZ2-CB 4.44Å; W827-V831 HydrophobicContact CZ2-CG1 3.74Å; W827-V831 HydrophobicContact CZ2-CG2 3.99Å; W827-V831 HydrophobicContact CZ3-CG2 4.15Å; W827-V831 PolarHBondContact O-N 2.66Å; W827-P839 HydrophobicContact CB-CG 3.93Å; W827-P839 HydrophobicContact CG-CG 4.48Å; W827-L874 HydrophobicContact CD2-CD2 4.33Å; W827-L874 HydrophobicContact CZ2-CD2 4.19Å; W827-Y878 AromaticContact CD1-CE2 3.66Å; W827-Y878 AromaticContact CD1-CZ 3.77Å; W827-Y878 AromaticContact NE1-CE2 3.91Å
828	E	92.8	Very high	88.5	Confident	63 Å²	63	50.2 Å²	50.2	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-39.1	179	-159.1	-151.9	-131.7	0	0	111.4	F824 R825 K832	F824-E828 VanDerWaalsContact O-CB 3.26Å; F824-E828 WeakPolarHBondContact O-CB 3.19Å; F824-E828 PolarHBondContact O-N 2.94Å; R825-E828 PolarHBondContact O-N 3.41Å; E828-K832 VanDerWaalsContact CD-CE 3.4Å; E828-K832 HydrophobicContact CG-CD 3.95Å; E828-K832 HydrophobicContact CG-CG 4.5Å; E828-K832 VanDerWaalsContact O-CB 3.25Å; E828-K832 WeakPolarHBondContact O-CB 3.46Å; E828-K832 VanDerWaalsContact O-CG 3.27Å; E828-K832 WeakPolarHBondContact O-CG 3.41Å; E828-K832 PolarHBondContact O-N 2.65Å; E828-K832 WeakPolarHBondContact OE1-CE 3.45Å; E828-K832 IonicContact OE1-NZ 3.29Å; E828-K832 PolarHBondContact OE1-NZ 3.13Å; E828-K832 WeakPolarHBondContact OE2-CE 3.44Å; E828-K832 IonicContact OE2-NZ 2.76Å; E828-K832 PolarHBondContact OE2-NZ 3.04Å
829	S	89.9	Confident	88.5	Confident	19 Å²	19	50.9 Å²	50.9	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-41.7	176.5	-156.5	0	0	0	0	112	R825 E826 W827 G833 K834 D835	R825-S829 VanDerWaalsContact O-CB 3.29Å; R825-S829 WeakPolarHBondContact O-CB 3.26Å; R825-S829 PolarHBondContact O-N 2.68Å; E826-S829 PolarHBondContact O-N 2.88Å; W827-S829 VanDerWaalsContact C-N 3.28Å; W827-S829 PolarHBondContact O-N 3.22Å; S829-G833 PolarHBondContact O-N 2.84Å; S829-K834 WeakPolarHBondContact O-CB 3.42Å; S829-K834 PolarHBondContact O-N 2.96Å; S829-K834 WeakPolarHBondContact OG-CB 3.32Å; S829-D835 WeakPolarHBondContact CB-OD2 3.28Å; S829-D835 PolarHBondContact O-N 3.45Å; S829-D835 PolarHBondContact OG-OD2 3.38Å
830	F	93.1	Very high	88.2	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-52.4	173.6	169.6	-110.9	0	0	0	112.4	I789 R793 E826 W827 K832 G833 D837 P838	I789-F830 HydrophobicContact CG2-CE2 4.02Å; I789-F830 HydrophobicContact CG2-CZ 4.4Å; R793-F830 WeakPolarHBondContact CD-O 3.4Å; R793-F830 HydrophobicContact CG-CD1 4.4Å; R793-F830 HydrophobicContact CG-CD2 4.36Å; R793-F830 HydrophobicContact CG-CE1 3.96Å; R793-F830 HydrophobicContact CG-CE2 3.92Å; R793-F830 HydrophobicContact CG-CZ 3.7Å; R793-F830 WeakPolarHBondContact CG-O 3.36Å; R793-F830 PolarHBondContact NE-O 2.81Å; E826-F830 PolarHBondContact O-N 2.96Å; W827-F830 WeakPolarHBondContact O-CB 3.28Å; W827-F830 PolarHBondContact O-N 3.12Å; F830-K832 VanDerWaalsContact C-N 3.33Å; F830-K832 PolarHBondContact O-N 3.1Å; F830-G833 PolarHBondContact O-N 3.49Å; F830-D837 WeakPolarHBondContact CD2-O 3.49Å; F830-P838 HydrophobicContact CD1-CB 4.35Å; F830-P838 HydrophobicContact CD2-CB 4.19Å; F830-P838 HydrophobicContact CE1-CB 4.16Å; F830-P838 HydrophobicContact CE2-CB 3.99Å; F830-P838 HydrophobicContact CG-CB 4.37Å; F830-P838 HydrophobicContact CZ-CB 3.97Å
831	V	92.9	Very high	88.2	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-72.6	-23.8	-176.2	-57.9	0	0	0	0	113.7	E796 L797 W827 G833	E796-V831 HydrophobicContact CB-CG1 3.97Å; L797-V831 HydrophobicContact CB-CB 4.31Å; L797-V831 HydrophobicContact CB-CG2 4.47Å; L797-V831 HydrophobicContact CD1-CG2 4.14Å; W827-V831 HydrophobicContact CD2-CG1 4.3Å; W827-V831 HydrophobicContact CD2-CG2 4.41Å; W827-V831 HydrophobicContact CE3-CG2 4.37Å; W827-V831 HydrophobicContact CH2-CG2 3.94Å; W827-V831 HydrophobicContact CZ2-CB 4.44Å; W827-V831 HydrophobicContact CZ2-CG1 3.74Å; W827-V831 HydrophobicContact CZ2-CG2 3.99Å; W827-V831 HydrophobicContact CZ3-CG2 4.15Å; W827-V831 PolarHBondContact O-N 2.66Å; V831-G833 PolarHBondContact O-N 3.38Å
832	K	89.4	Confident	88.2	Confident	107 Å²	107	55 Å²	55	47%	0.465	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	5	168.5	-68	178.4	-178.4	174.3	0	113.4	E828 F830 K834	E828-K832 VanDerWaalsContact CD-CE 3.4Å; E828-K832 HydrophobicContact CG-CD 3.95Å; E828-K832 HydrophobicContact CG-CG 4.5Å; E828-K832 VanDerWaalsContact O-CB 3.25Å; E828-K832 WeakPolarHBondContact O-CB 3.46Å; E828-K832 VanDerWaalsContact O-CG 3.27Å; E828-K832 WeakPolarHBondContact O-CG 3.41Å; E828-K832 PolarHBondContact O-N 2.65Å; E828-K832 WeakPolarHBondContact OE1-CE 3.45Å; E828-K832 IonicContact OE1-NZ 3.29Å; E828-K832 PolarHBondContact OE1-NZ 3.13Å; E828-K832 WeakPolarHBondContact OE2-CE 3.44Å; E828-K832 IonicContact OE2-NZ 2.76Å; E828-K832 PolarHBondContact OE2-NZ 3.04Å; F830-K832 VanDerWaalsContact C-N 3.33Å; F830-K832 PolarHBondContact O-N 3.1Å; K832-K834 VanDerWaalsContact C-N 3.27Å; K832-K834 PolarHBondContact O-N 3.22Å
833	G	83	Confident	88.2	Confident	35 Å²	35	53.3 Å²	53.3	36%	0.361	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	7.6	174.5	0	0	0	0	0	116.1	S829 F830 V831	S829-G833 PolarHBondContact O-N 2.84Å; F830-G833 PolarHBondContact O-N 3.49Å; V831-G833 PolarHBondContact O-N 3.38Å
834	K	79.3	Confident	88.1	Confident	148 Å²	148	53 Å²	53	64%	0.643	30%	0.295	S	S	*	.	S	Bend	trans	-74	-43.6	-179.5	-64.7	176.1	179.7	174.8	0	111.9	S829 K832	S829-K834 WeakPolarHBondContact O-CB 3.42Å; S829-K834 PolarHBondContact O-N 2.96Å; S829-K834 WeakPolarHBondContact OG-CB 3.32Å; K832-K834 VanDerWaalsContact C-N 3.27Å; K832-K834 PolarHBondContact O-N 3.22Å
835	D	71.6	Confident	87.9	Confident	85 Å²	85	55.5 Å²	55.5	46%	0.455	31%	0.314	S	S	.	.			trans	-100.7	138.9	176	-79.5	-61.8	0	0	0	111.4	R793 S829	R793-D835 PolarHBondContact NH2-O 2.81Å; S829-D835 WeakPolarHBondContact CB-OD2 3.28Å; S829-D835 PolarHBondContact O-N 3.45Å; S829-D835 PolarHBondContact OG-OD2 3.38Å
836	G	67	Low	87.6	Confident	51 Å²	51	56.7 Å²	56.7	53%	0.526	32%	0.322	S	S	.	.	S	Bend	trans	-78	-32.5	-178.4	0	0	0	0	0	113.9
837	D	79.4	Confident	87.5	Confident	92 Å²	92	53 Å²	53	49%	0.492	31%	0.305	S	S	.	.	S	Bend	trans	-89.8	142.9	178.9	-66.2	-35.1	0	0	0	110.6	K438 F830	K438-D837 IonicContact NZ-OD2 3.34Å; K438-D837 PolarHBondContact NZ-OD2 2.7Å; F830-D837 WeakPolarHBondContact CD2-O 3.49Å
838	P	86.7	Confident	87.2	Confident	57 Å²	57	53.4 Å²	53.4	37%	0.37	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-68	153	166	31	-34.5	0	0	0	110.7	F830 Y878	F830-P838 HydrophobicContact CD1-CB 4.35Å; F830-P838 HydrophobicContact CD2-CB 4.19Å; F830-P838 HydrophobicContact CE1-CB 4.16Å; F830-P838 HydrophobicContact CE2-CB 3.99Å; F830-P838 HydrophobicContact CG-CB 4.37Å; F830-P838 HydrophobicContact CZ-CB 3.97Å; P838-Y878 HydrophobicContact CB-CE1 4.25Å
839	P	91	Very high	86.9	Confident	15 Å²	15	53.1 Å²	53.1	10%	0.097	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-63.2	161.8	174.7	31.4	-39	0	0	0	111.4	W823 E826 W827 Y878	W823-P839 HydrophobicContact CH2-CG 4.46Å; W823-P839 HydrophobicContact CZ2-CB 4.2Å; W823-P839 HydrophobicContact CZ2-CG 3.8Å; E826-P839 HydrophobicContact CB-CB 4.06Å; W827-P839 HydrophobicContact CB-CG 3.93Å; W827-P839 HydrophobicContact CG-CG 4.48Å; P839-Y878 HydrophobicContact CG-CD1 3.98Å; P839-Y878 HydrophobicContact CG-CE1 3.44Å; P839-Y878 VanDerWaalsContact CG-CE1 3.44Å; P839-Y878 WeakPolarHBondContact O-CD1 3.43Å
840	G	88.6	Confident	86.7	Confident	39 Å²	39	57 Å²	57	40%	0.402	34%	0.335	S	S	.	.			trans	-70.7	-169.9	172.8	0	0	0	0	0	112.9	W823	W823-G840 PolarHBondContact NE1-O 2.95Å
841	P	93.4	Very high	85.9	Confident	85 Å²	85	63.5 Å²	63.5	55%	0.552	36%	0.363	S	S	*	.	S	Bend	trans	-56.1	150.1	166.5	-21.5	33.7	0	0	0	111.4	W823 D843 Y878 G879	W823-P841 VanDerWaalsContact CD1-O 3.32Å; W823-P841 PolarHBondContact NE1-O 3.13Å; P841-D843 PolarHBondContact O-N 3.32Å; P841-Y878 WeakPolarHBondContact CA-O 3.4Å; P841-G879 CarbonylContact C-O 3.59Å; P841-G879 WeakPolarHBondContact CA-O 3.24Å
842	I	94.1	Very high	84.8	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	119.5	177.2	-60.4	175.2	0	0	0	109	I819 W823 W871 L874 Q875 G879 G880 G881	I819-I842 HydrophobicContact CD1-CD1 4.25Å; I819-I842 HydrophobicContact CD1-CG2 4.33Å; I819-I842 HydrophobicContact CG1-CG2 4.1Å; W823-I842 HydrophobicContact CD2-CB 4.44Å; W823-I842 HydrophobicContact CD2-CG1 4.01Å; W823-I842 HydrophobicContact CE3-CG1 4.22Å; W823-I842 HydrophobicContact CH2-CD1 4.44Å; W823-I842 HydrophobicContact CH2-CG1 3.96Å; W823-I842 HydrophobicContact CZ2-CG1 3.71Å; W823-I842 HydrophobicContact CZ3-CG1 4.2Å; I842-W871 HydrophobicContact CD1-CZ3 4.3Å; I842-W871 HydrophobicContact CG2-CH2 4.16Å; I842-W871 HydrophobicContact CG2-CZ3 3.97Å; I842-L874 HydrophobicContact CD1-CB 3.98Å; I842-Q875 HydrophobicContact CD1-CB 4.4Å; I842-G879 PolarHBondContact N-O 3.43Å; I842-G880 CarbonylContact O-C 3.55Å; I842-G880 WeakPolarHBondContact O-CA 3.4Å; I842-G881 PolarHBondContact O-N 2.68Å
843	D	91.8	Very high	84	Confident	65 Å²	65	67.4 Å²	67.4	35%	0.348	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	96.1	176	178.7	15.7	0	0	0	110.7	S820 P841 T845	S820-D843 WeakPolarHBondContact CB-O 3.21Å; S820-D843 PolarHBondContact OG-O 3.29Å; P841-D843 PolarHBondContact O-N 3.32Å; D843-T845 VanDerWaalsContact OD1-CB 3.26Å; D843-T845 WeakPolarHBondContact OD1-CB 3.32Å; D843-T845 VanDerWaalsContact OD1-CG2 3.29Å; D843-T845 WeakPolarHBondContact OD1-CG2 3.45Å; D843-T845 PolarHBondContact OD1-N 2.96Å; D843-T845 PolarHBondContact OD1-OG1 2.82Å
844	N	93	Very high	83.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	43%	0.425	C	S	.	.			trans	-93.1	1.9	172.7	-86.7	-4.4	0	0	0	113	C818 S820 K846 I847 A848 W871 G881 P882 V884	C818-N844 PolarHBondContact O-ND2 2.89Å; S820-N844 PolarHBondContact N-OD1 3.24Å; N844-K846 PolarHBondContact O-N 2.89Å; N844-K846 VanDerWaalsContact O-N 3.14Å; N844-I847 HydrophobicContact CB-CD1 4.32Å; N844-I847 HydrophobicContact CB-CG1 3.93Å; N844-I847 VanDerWaalsContact O-CG1 3.27Å; N844-I847 WeakPolarHBondContact O-CG1 3.46Å; N844-I847 PolarHBondContact O-N 3.34Å; N844-I847 WeakPolarHBondContact OD1-CD1 3.37Å; N844-A848 WeakPolarHBondContact O-CB 3.48Å; N844-A848 PolarHBondContact O-N 3.01Å; N844-W871 WeakPolarHBondContact ND2-CH2 3.35Å; N844-W871 WeakPolarHBondContact ND2-CZ3 3.31Å; N844-G881 PolarHBondContact N-O 2.91Å; N844-P882 HydrophobicContact CB-CG 4.35Å; N844-P882 WeakPolarHBondContact CB-O 3.5Å; N844-P882 PolarHBondContact ND2-O 3.48Å; N844-V884 HydrophobicContact CB-CG2 4.39Å
845	T	89.9	Confident	83.8	Confident	86 Å²	86	66.4 Å²	66.4	53%	0.528	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.6	-171.8	62.4	0	0	0	0	113	D843	D843-T845 VanDerWaalsContact OD1-CB 3.26Å; D843-T845 WeakPolarHBondContact OD1-CB 3.32Å; D843-T845 VanDerWaalsContact OD1-CG2 3.29Å; D843-T845 WeakPolarHBondContact OD1-CG2 3.45Å; D843-T845 PolarHBondContact OD1-N 2.96Å; D843-T845 PolarHBondContact OD1-OG1 2.82Å
846	K	87	Confident	84.5	Confident	145 Å²	145	65.9 Å²	65.9	63%	0.63	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.9	177.3	-62.2	-176.1	-178	-179.8	0	114	N844	N844-K846 PolarHBondContact O-N 2.89Å; N844-K846 VanDerWaalsContact O-N 3.14Å
847	I	89.5	Confident	85.5	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-12.1	178.8	75.2	161.6	0	0	0	112.7	C818 N844 L857 R858 A861	C818-I847 HydrophobicContact CB-CD1 4.07Å; N844-I847 HydrophobicContact CB-CD1 4.32Å; N844-I847 HydrophobicContact CB-CG1 3.93Å; N844-I847 VanDerWaalsContact O-CG1 3.27Å; N844-I847 WeakPolarHBondContact O-CG1 3.46Å; N844-I847 PolarHBondContact O-N 3.34Å; N844-I847 WeakPolarHBondContact OD1-CD1 3.37Å; I847-L857 HydrophobicContact CB-CD1 4.1Å; I847-L857 HydrophobicContact CD1-CD1 4.02Å; I847-L857 HydrophobicContact CG1-CD1 4.32Å; I847-R858 VanDerWaalsContact O-CB 3.31Å; I847-R858 WeakPolarHBondContact O-CB 3.11Å; I847-R858 PolarHBondContact O-N 2.72Å; I847-A861 HydrophobicContact CB-CB 3.95Å; I847-A861 HydrophobicContact CG2-CB 4Å
848	A	87.9	Confident	85.9	Confident	12 Å²	12	67.7 Å²	67.7	10%	0.099	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.4	-176.5	0	0	0	0	0	113.1	N844 V855 P882 V884	N844-A848 WeakPolarHBondContact O-CB 3.48Å; N844-A848 PolarHBondContact O-N 3.01Å; A848-V855 HydrophobicContact CB-CG1 3.71Å; A848-P882 HydrophobicContact CB-CG 3.51Å; A848-V884 HydrophobicContact CB-CG2 3.94Å
849	V	86.4	Confident	85.7	Confident	56 Å²	56	74.6 Å²	74.6	34%	0.339	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.4	165	172.1	0	0	0	0	108.3	I856 R858	V849-I856 HydrophobicContact CB-CG1 4.35Å; V849-I856 PolarHBondContact N-O 3.13Å; V849-I856 VanDerWaalsContact O-CG1 3.28Å; V849-I856 WeakPolarHBondContact O-CG1 2.96Å; V849-I856 PolarHBondContact O-N 3.47Å; V849-R858 HydrophobicContact CG2-CB 3.97Å; V849-R858 HydrophobicContact CG2-CG 4.3Å
850	T	85.1	Confident	85.2	Confident	102 Å²	102	78 Å²	78	63%	0.626	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.9	173.4	-56.3	0	0	0	0	109.3	N854	T850-N854 CarbonylContact C-O 3.51Å; T850-N854 WeakPolarHBondContact CA-O 3.21Å
851	K	77.2	Confident	85.2	Confident	139 Å²	139	77.5 Å²	77.5	60%	0.604	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.1	177.4	-163.7	173.9	-174.9	178.5	0	109.5	G853 N854 I856	K851-G853 PolarHBondContact O-N 3.25Å; K851-N854 PolarHBondContact N-O 3.02Å; K851-N854 PolarHBondContact O-N 2.84Å; K851-N854 VanDerWaalsContact O-N 3.11Å; K851-I856 HydrophobicContact CB-CD1 3.88Å; K851-I856 HydrophobicContact CB-CG1 4.29Å; K851-I856 HydrophobicContact CD-CD1 4.01Å
852	C	69.9	Low	85.1	Confident	130 Å²	130	77.6 Å²	77.6	88%	0.878	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	36.7	-176.3	-54.4	0	0	0	0	114	N854	C852-N854 VanDerWaalsContact C-N 3.27Å; C852-N854 PolarHBondContact O-N 3.19Å
853	G	72.1	Confident	85	Confident	65 Å²	65	78.9 Å²	78.9	67%	0.67	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-15.9	-178.7	0	0	0	0	0	115.3	K851	K851-G853 PolarHBondContact O-N 3.25Å
854	N	74.8	Confident	84.8	Confident	115 Å²	115	76.6 Å²	76.6	62%	0.615	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.8	173.3	-66.4	-42.7	0	0	0	110.5	T850 K851 C852	T850-N854 CarbonylContact C-O 3.51Å; T850-N854 WeakPolarHBondContact CA-O 3.21Å; K851-N854 PolarHBondContact N-O 3.02Å; K851-N854 PolarHBondContact O-N 2.84Å; K851-N854 VanDerWaalsContact O-N 3.11Å; C852-N854 VanDerWaalsContact C-N 3.27Å; C852-N854 PolarHBondContact O-N 3.19Å
855	V	82.9	Confident	84.7	Confident	48 Å²	48	82 Å²	82	29%	0.291	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.1	172.3	-169.7	0	0	0	0	108.8	A848 P882 V884	A848-V855 HydrophobicContact CB-CG1 3.71Å; V855-P882 HydrophobicContact CG1-CB 4.15Å; V855-P882 HydrophobicContact CG1-CG 4.07Å; V855-P882 HydrophobicContact CG2-CB 4.36Å; V855-V884 HydrophobicContact CG1-CG2 3.96Å
856	I	86.4	Confident	84.8	Confident	74 Å²	74	78.3 Å²	78.3	38%	0.379	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.8	179.4	58.6	169.1	0	0	0	110.7	V849 K851	V849-I856 HydrophobicContact CB-CG1 4.35Å; V849-I856 PolarHBondContact N-O 3.13Å; V849-I856 VanDerWaalsContact O-CG1 3.28Å; V849-I856 WeakPolarHBondContact O-CG1 2.96Å; V849-I856 PolarHBondContact O-N 3.47Å; K851-I856 HydrophobicContact CB-CD1 3.88Å; K851-I856 HydrophobicContact CB-CG1 4.29Å; K851-I856 HydrophobicContact CD-CD1 4.01Å
857	L	87.2	Confident	85	Confident	47 Å²	47	71.5 Å²	71.5	25%	0.246	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	134.1	176.6	-173.6	69	0	0	0	111	C818 I847 Q859 S863 V884 L886	C818-L857 HydrophobicContact CB-CD1 4.13Å; I847-L857 HydrophobicContact CB-CD1 4.1Å; I847-L857 HydrophobicContact CD1-CD1 4.02Å; I847-L857 HydrophobicContact CG1-CD1 4.32Å; L857-Q859 PolarHBondContact O-N 3.06Å; L857-S863 WeakPolarHBondContact CD1-OG 3.43Å; L857-V884 HydrophobicContact CB-CG1 3.94Å; L857-V884 HydrophobicContact CD1-CG1 4.2Å; L857-L886 HydrophobicContact CB-CD2 4.1Å; L857-L886 HydrophobicContact CD2-CD1 4.14Å; L857-L886 HydrophobicContact CD2-CD2 4.45Å
858	R	88.3	Confident	85.1	Confident	134 Å²	134	75.5 Å²	75.5	51%	0.506	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-68.9	123.3	170.1	179.6	178	-74.7	-157.1	-3.1	109.4	I847 V849 G860 A861	I847-R858 VanDerWaalsContact O-CB 3.31Å; I847-R858 WeakPolarHBondContact O-CB 3.11Å; I847-R858 PolarHBondContact O-N 2.72Å; V849-R858 HydrophobicContact CG2-CB 3.97Å; V849-R858 HydrophobicContact CG2-CG 4.3Å; R858-G860 PolarHBondContact O-N 3.22Å; R858-A861 HydrophobicContact CB-CB 4.03Å; R858-A861 HydrophobicContact CG-CB 4.43Å; R858-A861 VanDerWaalsContact O-CB 3.26Å; R858-A861 WeakPolarHBondContact O-CB 3.33Å; R858-A861 PolarHBondContact O-N 2.86Å; R858-A861 VanDerWaalsContact O-N 3.13Å
859	Q	82.9	Confident	85.3	Confident	201 Å²	201	79.9 Å²	79.9	94%	0.939	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	128.5	177.6	-167.8	167.2	3.9	0	0	110.6	L857	L857-Q859 PolarHBondContact O-N 3.06Å
860	G	81.4	Confident	85.6	Confident	87 Å²	87	77.2 Å²	77.2	90%	0.897	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	8.7	-177	0	0	0	0	0	115.9	R858	R858-G860 PolarHBondContact O-N 3.22Å
861	A	87.2	Confident	86	Confident	28 Å²	28	72.4 Å²	72.4	23%	0.231	41%	0.41	C	S	.	.			trans	-75.1	148.3	176.6	0	0	0	0	0	113.6	I847 R858 S863	I847-A861 HydrophobicContact CB-CB 3.95Å; I847-A861 HydrophobicContact CG2-CB 4Å; R858-A861 HydrophobicContact CB-CB 4.03Å; R858-A861 HydrophobicContact CG-CB 4.43Å; R858-A861 VanDerWaalsContact O-CB 3.26Å; R858-A861 WeakPolarHBondContact O-CB 3.33Å; R858-A861 PolarHBondContact O-N 2.86Å; R858-A861 VanDerWaalsContact O-N 3.13Å; A861-S863 VanDerWaalsContact C-N 3.31Å; A861-S863 PolarHBondContact O-N 2.84Å
862	D	91.2	Very high	86.8	Confident	87 Å²	87	69.6 Å²	69.6	47%	0.465	40%	0.401	S	S	.	.			trans	-76.8	79.2	176	-170.3	16.1	0	0	0	110.5	M821 R825	M821-D862 WeakPolarHBondContact CB-O 3.45Å; M821-D862 VanDerWaalsContact CB-OD1 3.31Å; M821-D862 WeakPolarHBondContact CB-OD1 3.37Å; M821-D862 PolarHBondContact N-O 2.87Å; R825-D862 IonicContact CZ-OD1 3.71Å; R825-D862 IonicContact CZ-OD2 3.27Å; R825-D862 IonicContact NH1-OD2 2.98Å; R825-D862 PolarHBondContact NH1-OD2 2.98Å; R825-D862 VanDerWaalsContact NH2-CG 3.31Å; R825-D862 IonicContact NH2-OD1 2.71Å; R825-D862 PolarHBondContact NH2-OD1 2.9Å; R825-D862 IonicContact NH2-OD2 2.9Å; R825-D862 PolarHBondContact NH2-OD2 2.71Å
863	S	92	Very high	87.9	Confident	31 Å²	31	64.9 Å²	64.9	22%	0.217	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.4	-176.5	64.1	0	0	0	0	112	I819 L857 A861	I819-S863 WeakPolarHBondContact O-CA 3.36Å; L857-S863 WeakPolarHBondContact CD1-OG 3.43Å; A861-S863 VanDerWaalsContact C-N 3.31Å; A861-S863 PolarHBondContact O-N 2.84Å
864	G	89.3	Confident	89	Confident	17 Å²	17	61.8 Å²	61.8	18%	0.175	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	160.2	169.9	0	0	0	0	0	111.6	C818 I819	C818-G864 WeakPolarHBondContact CA-O 3.04Å; I819-G864 PolarHBondContact N-O 2.8Å; I819-G864 PolarHBondContact O-N 3.17Å
865	Q	90.5	Very high	89.8	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.2	176.2	-64.9	172.5	-2	0	0	109.8	F816 Y817	F816-Q865 HydrophobicContact CD1-CB 4.26Å; Y817-Q865 CarbonylContact O-C 3.55Å; Y817-Q865 WeakPolarHBondContact O-CA 3.5Å
866	I	91.5	Very high	90.4	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.7	177.8	62.2	174.9	0	0	0	110.7	Y817 I819 T870 W871 L874	Y817-I866 PolarHBondContact N-O 3.13Å; Y817-I866 PolarHBondContact O-N 3.39Å; I819-I866 HydrophobicContact CB-CD1 4.15Å; I819-I866 HydrophobicContact CD1-CD1 4.18Å; I819-I866 HydrophobicContact CG2-CD1 4.17Å; I819-I866 HydrophobicContact CG2-CG2 4.15Å; I866-T870 HydrophobicContact CB-CG2 3.95Å; I866-T870 HydrophobicContact CD1-CG2 4.09Å; I866-T870 HydrophobicContact CG2-CG2 4.23Å; I866-W871 HydrophobicContact CD1-CB 4.05Å; I866-W871 HydrophobicContact CD1-CE3 4.34Å; I866-W871 HydrophobicContact CG1-CB 4.43Å; I866-L874 HydrophobicContact CD1-CD1 4.28Å
867	S	91.3	Very high	90.7	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.014	33%	0.333	C	S	.	.			trans	-71	165	176.9	86.8	0	0	0	0	112.7	F807 E869 T870 W871	F807-S867 VanDerWaalsContact CD2-CB 3.42Å; S867-E869 VanDerWaalsContact C-N 3.34Å; S867-E869 WeakPolarHBondContact CB-OE2 3.38Å; S867-E869 PolarHBondContact O-N 2.91Å; S867-E869 PolarHBondContact OG-N 2.73Å; S867-E869 PolarHBondContact OG-OE2 3.29Å; S867-T870 PolarHBondContact O-N 2.98Å; S867-T870 PolarHBondContact OG-N 3.15Å; S867-T870 VanDerWaalsContact OG-N 3.13Å; S867-T870 PolarHBondContact OG-OG1 3.45Å; S867-W871 PolarHBondContact O-N 3.16Å
868	E	91.1	Very high	91	Very high	89 Å²	89	59.6 Å²	59.6	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-41.7	175.8	-177	156.6	141.8	0	0	112.3	Y817 T870 W871 N872	Y817-E868 HydrophobicContact CD2-CB 4.03Å; Y817-E868 HydrophobicContact CD2-CG 4.5Å; Y817-E868 HydrophobicContact CE2-CB 3.48Å; Y817-E868 VanDerWaalsContact CE2-CB 3.48Å; Y817-E868 HydrophobicContact CE2-CG 3.62Å; Y817-E868 VanDerWaalsContact CE2-OE2 3.31Å; Y817-E868 WeakPolarHBondContact CE2-OE2 3.49Å; Y817-E868 PolarHBondContact OH-OE2 3.21Å; E868-T870 VanDerWaalsContact C-N 3.27Å; E868-T870 PolarHBondContact O-N 3.06Å; E868-W871 PolarHBondContact O-N 2.79Å; E868-N872 WeakPolarHBondContact CG-ND2 3.34Å; E868-N872 VanDerWaalsContact O-CB 3.29Å; E868-N872 WeakPolarHBondContact O-CB 3.46Å; E868-N872 PolarHBondContact O-N 3.4Å; E868-N872 PolarHBondContact O-ND2 3.21Å
869	E	91.9	Very high	91.2	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-65.1	-36.5	177.3	-50.8	68.3	-147.1	0	0	110.6	L803 S867 F873	L803-E869 HydrophobicContact CD1-CB 4.22Å; L803-E869 HydrophobicContact CD2-CB 3.82Å; S867-E869 VanDerWaalsContact C-N 3.34Å; S867-E869 WeakPolarHBondContact CB-OE2 3.38Å; S867-E869 PolarHBondContact O-N 2.91Å; S867-E869 PolarHBondContact OG-N 2.73Å; S867-E869 PolarHBondContact OG-OE2 3.29Å; E869-F873 WeakPolarHBondContact O-CB 3.49Å; E869-F873 PolarHBondContact O-N 2.72Å
870	T	93.1	Very high	91.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-71.3	-41.8	179.8	-51.9	0	0	0	0	111	F800 I866 S867 E868 L874	F800-T870 HydrophobicContact CD2-CG2 3.78Å; F800-T870 HydrophobicContact CE2-CG2 3.74Å; I866-T870 HydrophobicContact CB-CG2 3.95Å; I866-T870 HydrophobicContact CD1-CG2 4.09Å; I866-T870 HydrophobicContact CG2-CG2 4.23Å; S867-T870 PolarHBondContact O-N 2.98Å; S867-T870 PolarHBondContact OG-N 3.15Å; S867-T870 VanDerWaalsContact OG-N 3.13Å; S867-T870 PolarHBondContact OG-OG1 3.45Å; E868-T870 VanDerWaalsContact C-N 3.27Å; E868-T870 PolarHBondContact O-N 3.06Å; T870-L874 HydrophobicContact CG2-CD1 4.34Å; T870-L874 WeakPolarHBondContact O-CG 3.07Å; T870-L874 PolarHBondContact O-N 3.23Å; T870-L874 VanDerWaalsContact O-N 3.13Å
871	W	93.1	Very high	91.7	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-54.5	171.2	173.5	-104.7	0	0	0	111	Y817 I842 N844 I866 S867 E868 F873 L874 Q875 E883	Y817-W871 HydrophobicContact CD1-CB 3.79Å; Y817-W871 AromaticContact CD1-CD1 3.3Å; Y817-W871 AromaticContact CD1-CD2 3.88Å; Y817-W871 HydrophobicContact CD1-CD2 3.88Å; Y817-W871 AromaticContact CD1-CG 3.38Å; Y817-W871 HydrophobicContact CD1-CG 3.38Å; Y817-W871 AromaticContact CD1-NE1 3.73Å; Y817-W871 HydrophobicContact CD2-CB 4.44Å; Y817-W871 AromaticContact CE1-CD1 3.48Å; Y817-W871 VanDerWaalsContact CE1-CD1 3.48Å; Y817-W871 HydrophobicContact CE1-CG 4.04Å; Y817-W871 AromaticContact CE1-NE1 3.88Å; Y817-W871 HydrophobicContact CG-CB 3.74Å; Y817-W871 HydrophobicContact CG-CD2 4.48Å; Y817-W871 AromaticContact CG-CG 3.86Å; Y817-W871 HydrophobicContact CG-CG 3.86Å; I842-W871 HydrophobicContact CD1-CZ3 4.3Å; I842-W871 HydrophobicContact CG2-CH2 4.16Å; I842-W871 HydrophobicContact CG2-CZ3 3.97Å; N844-W871 WeakPolarHBondContact ND2-CH2 3.35Å; N844-W871 WeakPolarHBondContact ND2-CZ3 3.31Å; I866-W871 HydrophobicContact CD1-CB 4.05Å; I866-W871 HydrophobicContact CD1-CE3 4.34Å; I866-W871 HydrophobicContact CG1-CB 4.43Å; S867-W871 PolarHBondContact O-N 3.16Å; E868-W871 PolarHBondContact O-N 2.79Å; W871-F873 VanDerWaalsContact C-N 3.28Å; W871-F873 PolarHBondContact O-N 2.99Å; W871-L874 PolarHBondContact O-N 2.91Å; W871-Q875 WeakPolarHBondContact O-CB 3.02Å; W871-Q875 PolarHBondContact O-N 2.92Å; W871-E883 HydrophobicContact CZ2-CB 3.87Å; W871-E883 HydrophobicContact CZ2-CG 3.93Å; W871-E883 PolarHBondContact NE1-OE2 3.12Å
872	N	93.8	Very high	91.8	Very high	79 Å²	79	44.1 Å²	44.1	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-38.2	179.8	-79.5	-52.3	0	0	0	112.4	E868 S876	E868-N872 WeakPolarHBondContact CG-ND2 3.34Å; E868-N872 VanDerWaalsContact O-CB 3.29Å; E868-N872 WeakPolarHBondContact O-CB 3.46Å; E868-N872 PolarHBondContact O-N 3.4Å; E868-N872 PolarHBondContact O-ND2 3.21Å; N872-S876 WeakPolarHBondContact O-CB 3.23Å; N872-S876 PolarHBondContact O-N 3.05Å; N872-S876 PolarHBondContact O-OG 3.31Å
873	F	95	Very high	91.7	Very high	31 Å²	31	44.3 Å²	44.3	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-56.3	174.6	173	-113.9	0	0	0	111.9	E796 I799 L803 E869 W871 S876 I877	E796-F873 HydrophobicContact CB-CZ 4.42Å; E796-F873 HydrophobicContact CG-CZ 4.18Å; I799-F873 HydrophobicContact CB-CE1 4.09Å; I799-F873 HydrophobicContact CB-CE2 4.07Å; I799-F873 HydrophobicContact CB-CZ 3.75Å; I799-F873 HydrophobicContact CD1-CE2 3.67Å; I799-F873 HydrophobicContact CD1-CZ 3.92Å; I799-F873 HydrophobicContact CG1-CE2 4.47Å; I799-F873 HydrophobicContact CG1-CZ 4.44Å; I799-F873 HydrophobicContact CG2-CD1 3.96Å; I799-F873 HydrophobicContact CG2-CD2 3.75Å; I799-F873 HydrophobicContact CG2-CE1 3.82Å; I799-F873 HydrophobicContact CG2-CE2 3.61Å; I799-F873 HydrophobicContact CG2-CG 3.93Å; I799-F873 HydrophobicContact CG2-CZ 3.65Å; L803-F873 HydrophobicContact CD1-CB 3.9Å; L803-F873 HydrophobicContact CD1-CD1 4.41Å; L803-F873 HydrophobicContact CD1-CG 4.2Å; E869-F873 WeakPolarHBondContact O-CB 3.49Å; E869-F873 PolarHBondContact O-N 2.72Å; W871-F873 VanDerWaalsContact C-N 3.28Å; W871-F873 PolarHBondContact O-N 2.99Å; F873-S876 PolarHBondContact O-N 3.42Å; F873-S876 PolarHBondContact O-OG 2.76Å; F873-I877 HydrophobicContact CD2-CD1 4.22Å; F873-I877 HydrophobicContact CE1-CD1 4.25Å; F873-I877 HydrophobicContact CE2-CD1 3.51Å; F873-I877 HydrophobicContact CZ-CD1 3.52Å; F873-I877 PolarHBondContact O-N 2.96Å
874	L	93.7	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-44.2	-178.7	-64.5	170.5	0	0	0	111.3	I819 W823 W827 I842 I866 T870 W871 S876 I877 Y878	I819-L874 HydrophobicContact CD1-CD1 3.9Å; W823-L874 HydrophobicContact CH2-CB 4.43Å; W823-L874 HydrophobicContact CH2-CD2 4.31Å; W823-L874 HydrophobicContact CZ3-CD1 4.25Å; W827-L874 HydrophobicContact CD2-CD2 4.33Å; W827-L874 HydrophobicContact CZ2-CD2 4.19Å; I842-L874 HydrophobicContact CD1-CB 3.98Å; I866-L874 HydrophobicContact CD1-CD1 4.28Å; T870-L874 HydrophobicContact CG2-CD1 4.34Å; T870-L874 WeakPolarHBondContact O-CG 3.07Å; T870-L874 PolarHBondContact O-N 3.23Å; T870-L874 VanDerWaalsContact O-N 3.13Å; W871-L874 PolarHBondContact O-N 2.91Å; L874-S876 VanDerWaalsContact C-N 3.28Å; L874-S876 PolarHBondContact O-N 3Å; L874-I877 PolarHBondContact O-N 2.9Å; L874-I877 VanDerWaalsContact O-N 3.12Å; L874-Y878 WeakPolarHBondContact O-CD2 3.43Å; L874-Y878 PolarHBondContact O-N 3.1Å
875	Q	92.8	Very high	91.6	Very high	55 Å²	55	44.6 Å²	44.6	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-32.1	177	-176.8	67.5	-3.1	0	0	112.2	I842 W871 I877 G879 G880	I842-Q875 HydrophobicContact CD1-CB 4.4Å; W871-Q875 WeakPolarHBondContact O-CB 3.02Å; W871-Q875 PolarHBondContact O-N 2.92Å; Q875-I877 VanDerWaalsContact C-N 3.32Å; Q875-I877 PolarHBondContact O-N 3.14Å; Q875-G879 VanDerWaalsContact O-CA 3.22Å; Q875-G879 WeakPolarHBondContact O-CA 3.09Å; Q875-G879 PolarHBondContact O-N 3.45Å; Q875-G879 PolarHBondContact OE1-O 3.43Å; Q875-G880 PolarHBondContact NE2-O 3.03Å
876	S	94.3	Very high	91.2	Very high	94 Å²	94	41.6 Å²	41.6	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-70	-25.5	175.8	75.9	0	0	0	0	114.1	N872 F873 L874	N872-S876 WeakPolarHBondContact O-CB 3.23Å; N872-S876 PolarHBondContact O-N 3.05Å; N872-S876 PolarHBondContact O-OG 3.31Å; F873-S876 PolarHBondContact O-N 3.42Å; F873-S876 PolarHBondContact O-OG 2.76Å; L874-S876 VanDerWaalsContact C-N 3.28Å; L874-S876 PolarHBondContact O-N 3Å
877	I	92.8	Very high	90.6	Very high	66 Å²	66	50 Å²	50	34%	0.338	27%	0.267	S	S	.	.	H	α-helix	trans	-92.6	-42.8	-179.1	-65.5	177.4	0	0	0	111.3	E796 F873 L874 Q875	E796-I877 HydrophobicContact CG-CD1 3.94Å; F873-I877 HydrophobicContact CD2-CD1 4.22Å; F873-I877 HydrophobicContact CE1-CD1 4.25Å; F873-I877 HydrophobicContact CE2-CD1 3.51Å; F873-I877 HydrophobicContact CZ-CD1 3.52Å; F873-I877 PolarHBondContact O-N 2.96Å; L874-I877 PolarHBondContact O-N 2.9Å; L874-I877 VanDerWaalsContact O-N 3.12Å; Q875-I877 VanDerWaalsContact C-N 3.32Å; Q875-I877 PolarHBondContact O-N 3.14Å
878	Y	93.3	Very high	89.3	Confident	24 Å²	24	52.7 Å²	52.7	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-106	-26.3	-170.2	-65.2	-79	0	0	0	113.6	R792 E796 W823 W827 P838 P839 P841 L874	R792-Y878 PolarHBondContact NH2-OH 3.19Å; E796-Y878 VanDerWaalsContact CD-OH 3.25Å; E796-Y878 PolarHBondContact OE1-OH 3.13Å; E796-Y878 VanDerWaalsContact OE1-OH 3.1Å; E796-Y878 WeakPolarHBondContact OE2-CE2 3.34Å; E796-Y878 PolarHBondContact OE2-OH 3.22Å; W823-Y878 AromaticContact CH2-CD2 3.78Å; W823-Y878 HydrophobicContact CH2-CD2 3.78Å; W823-Y878 HydrophobicContact CH2-CE2 4.12Å; W823-Y878 HydrophobicContact CH2-CG 4.18Å; W823-Y878 HydrophobicContact CZ2-CD1 4.06Å; W823-Y878 AromaticContact CZ2-CD2 3.72Å; W823-Y878 HydrophobicContact CZ2-CD2 3.72Å; W823-Y878 HydrophobicContact CZ2-CE2 4.25Å; W823-Y878 AromaticContact CZ2-CG 3.63Å; W823-Y878 HydrophobicContact CZ2-CG 3.63Å; W827-Y878 AromaticContact CD1-CE2 3.66Å; W827-Y878 AromaticContact CD1-CZ 3.77Å; W827-Y878 AromaticContact NE1-CE2 3.91Å; P838-Y878 HydrophobicContact CB-CE1 4.25Å; P839-Y878 HydrophobicContact CG-CD1 3.98Å; P839-Y878 HydrophobicContact CG-CE1 3.44Å; P839-Y878 VanDerWaalsContact CG-CE1 3.44Å; P839-Y878 WeakPolarHBondContact O-CD1 3.43Å; P841-Y878 WeakPolarHBondContact CA-O 3.4Å; L874-Y878 WeakPolarHBondContact O-CD2 3.43Å; L874-Y878 PolarHBondContact O-N 3.1Å
879	G	92.3	Very high	87.7	Confident	23 Å²	23	54 Å²	54	24%	0.237	30%	0.301	C	S	.	.			trans	58.9	-167.5	-165.4	0	0	0	0	0	112.2	P841 I842 Q875	P841-G879 CarbonylContact C-O 3.59Å; P841-G879 WeakPolarHBondContact CA-O 3.24Å; I842-G879 PolarHBondContact N-O 3.43Å; Q875-G879 VanDerWaalsContact O-CA 3.22Å; Q875-G879 WeakPolarHBondContact O-CA 3.09Å; Q875-G879 PolarHBondContact O-N 3.45Å; Q875-G879 PolarHBondContact OE1-O 3.43Å
880	G	90.6	Very high	85.6	Confident	43 Å²	43	55.1 Å²	55.1	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.2	-152.4	179.6	0	0	0	0	0	112.7	I842 Q875	I842-G880 CarbonylContact O-C 3.55Å; I842-G880 WeakPolarHBondContact O-CA 3.4Å; Q875-G880 PolarHBondContact NE2-O 3.03Å
881	G	85.6	Confident	83.2	Confident	14 Å²	14	60.8 Å²	60.8	14%	0.144	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-160.3	-177.3	0	0	0	0	0	112.7	I842 N844	I842-G881 PolarHBondContact O-N 2.68Å; N844-G881 PolarHBondContact N-O 2.91Å
882	P	89.4	Confident	80.8	Confident	44 Å²	44	68.9 Å²	68.9	29%	0.286	39%	0.386	S	S	.	.			cis	-66.2	160.1	-7.1	31.2	-37.5	0	0	0	112.2	N844 A848 V855	N844-P882 HydrophobicContact CB-CG 4.35Å; N844-P882 WeakPolarHBondContact CB-O 3.5Å; N844-P882 PolarHBondContact ND2-O 3.48Å; A848-P882 HydrophobicContact CB-CG 3.51Å; V855-P882 HydrophobicContact CG1-CB 4.15Å; V855-P882 HydrophobicContact CG1-CG 4.07Å; V855-P882 HydrophobicContact CG2-CB 4.36Å
883	E	89.7	Confident	78.5	Confident	91 Å²	91	69.3 Å²	69.3	43%	0.425	39%	0.391	S	S	.	.			trans	-68.7	135.2	168.9	-168.6	165.5	105.4	0	0	110.1	Y817 W871 I885	Y817-E883 HydrophobicContact CD1-CG 4.01Å; Y817-E883 HydrophobicContact CE1-CG 3.87Å; W871-E883 HydrophobicContact CZ2-CB 3.87Å; W871-E883 HydrophobicContact CZ2-CG 3.93Å; W871-E883 PolarHBondContact NE1-OE2 3.12Å; E883-I885 HydrophobicContact CG-CD1 4.49Å; E883-I885 HydrophobicContact CG-CG1 4.14Å
884	V	89.2	Confident	75.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	41%	0.409	C	S	.	.			trans	-132	111	-178.6	-178.4	0	0	0	0	107.7	C818 N844 A848 V855 L857	C818-V884 HydrophobicContact CB-CB 4Å; C818-V884 HydrophobicContact CB-CG1 3.88Å; C818-V884 PolarHBondContact N-O 3.26Å; N844-V884 HydrophobicContact CB-CG2 4.39Å; A848-V884 HydrophobicContact CB-CG2 3.94Å; V855-V884 HydrophobicContact CG1-CG2 3.96Å; L857-V884 HydrophobicContact CB-CG1 3.94Å; L857-V884 HydrophobicContact CD1-CG1 4.2Å
885	I	88.5	Confident	73.8	Confident	54 Å²	54	76.1 Å²	76.1	28%	0.277	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.2	-175.4	-52.9	179.9	0	0	0	109.6	T815 Y817 E883 R887	T815-I885 HydrophobicContact CG2-CG2 3.48Å; T815-I885 VanDerWaalsContact CG2-CG2 3.48Å; Y817-I885 HydrophobicContact CD1-CG1 4.28Å; Y817-I885 HydrophobicContact CE1-CD1 4.2Å; Y817-I885 HydrophobicContact CE1-CG1 4.03Å; E883-I885 HydrophobicContact CG-CD1 4.49Å; E883-I885 HydrophobicContact CG-CG1 4.14Å; I885-R887 HydrophobicContact CG2-CG 4.36Å
886	L	83.2	Confident	71.8	Confident	51 Å²	51	79 Å²	79	27%	0.267	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.3	162.7	-64	177.8	0	0	0	109	F816 C818 L857	F816-L886 HydrophobicContact CB-CB 4.29Å; F816-L886 PolarHBondContact N-O 3.22Å; F816-L886 PolarHBondContact O-N 2.74Å; C818-L886 VanDerWaalsContact SG-CD1 3.53Å; L857-L886 HydrophobicContact CB-CD2 4.1Å; L857-L886 HydrophobicContact CD2-CD1 4.14Å; L857-L886 HydrophobicContact CD2-CD2 4.45Å
887	R	79	Confident	69.7	Low	185 Å²	185	79.1 Å²	79.1	70%	0.698	44%	0.443	S	S	*	.			trans	-105.6	132.9	162.8	-65.2	-177.7	-179	146	5.6	107.3	I885	I885-R887 HydrophobicContact CG2-CG 4.36Å
888	P	64.2	Low	67.4	Low	59 Å²	59	81 Å²	81	38%	0.383	45%	0.453	S	S	.	.			trans	-59.5	146.2	172.7	27.4	-32.2	0	0	0	108.8	A814 F816 V890	A814-P888 WeakPolarHBondContact O-CD 3.49Å; F816-P888 HydrophobicContact CE2-CG 4.24Å; P888-V890 PolarHBondContact O-N 3.07Å
889	P	55.6	Low	65.2	Low	116 Å²	116	85.9 Å²	85.9	75%	0.753	48%	0.477	S	S	*	.			trans	-59.8	126.9	175.5	26.1	-33.2	0	0	0	108.6	V891	P889-V891 PolarHBondContact O-N 2.99Å
890	V	48.5	Very low	63.2	Low	126 Å²	126	87 Å²	87	76%	0.764	48%	0.484	S	S	*	.			trans	-59.2	114.2	172.9	177.7	0	0	0	0	107.1	P888 H892	P888-V890 PolarHBondContact O-N 3.07Å; V890-H892 PolarHBondContact O-N 3.36Å
891	V	43.7	Very low	61.1	Low	121 Å²	121	91.1 Å²	91.1	73%	0.733	49%	0.491	S	S	*	.			trans	-65.4	104.3	169.3	179.4	0	0	0	0	106.2	P889 V893	P889-V891 PolarHBondContact O-N 2.99Å; V891-V893 HydrophobicContact CG1-CG2 4.4Å; V891-V893 PolarHBondContact O-N 3.43Å
892	H	41.4	Very low	59.3	Low	170 Å²	170	97.2 Å²	97.2	79%	0.787	52%	0.516	S	S	*	.			trans	-63	95.4	160.1	-93.7	-88.1	0	0	0	106.8	V890 D894	V890-H892 PolarHBondContact O-N 3.36Å; H892-D894 PolarHBondContact O-N 3.16Å; H892-D894 VanDerWaalsContact O-N 3.14Å
893	V	44.9	Very low	57.2	Low	88 Å²	88	101.2 Å²	101.2	53%	0.533	53%	0.529	S	S	.	.			trans	-62.1	111	158.8	178.8	0	0	0	0	105.2	V891 L898	V891-V893 HydrophobicContact CG1-CG2 4.4Å; V891-V893 PolarHBondContact O-N 3.43Å; V893-L898 HydrophobicContact CG1-CD1 4.23Å; V893-L898 HydrophobicContact CG1-CG 4.25Å
894	D	41.3	Very low	55.4	Low	97 Å²	97	102 Å²	102	52%	0.519	54%	0.535	S	S	.	.			trans	-62.5	128.7	179.5	-124	-30.2	0	0	0	108.5	H892 D896 I897	H892-D894 PolarHBondContact O-N 3.16Å; H892-D894 VanDerWaalsContact O-N 3.14Å; D894-D896 PolarHBondContact O-N 3Å; D894-I897 HydrophobicContact CB-CD1 4.14Å; D894-I897 HydrophobicContact CB-CG1 4.09Å; D894-I897 PolarHBondContact O-N 3.24Å
895	P	49.1	Very low	53.5	Low	78 Å²	78	107.2 Å²	107.2	51%	0.506	56%	0.559	S	S	.	*	H	α-helix	trans	-55.3	-28.5	-179.4	-26.6	35.5	0	0	0	113	I897 L898 Q899	P895-I897 VanDerWaalsContact C-N 3.3Å; P895-I897 PolarHBondContact O-N 2.82Å; P895-L898 PolarHBondContact O-N 2.68Å; P895-Q899 PolarHBondContact O-N 3.38Å
896	D	50.3	Low	51.7	Low	114 Å²	114	109.2 Å²	109.2	61%	0.61	57%	0.574	S	S	*	*	H	α-helix	trans	-70.3	-21.4	179.8	-66.9	-1.9	0	0	0	113.1	D894 A900	D894-D896 PolarHBondContact O-N 3Å; D896-A900 WeakPolarHBondContact O-CB 3.43Å; D896-A900 PolarHBondContact O-N 2.87Å
897	I	50.9	Low	50.3	Low	98 Å²	98	112 Å²	112	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-74.6	-42.3	175.2	-62.5	177.5	0	0	0	110.4	D894 P895 Q899 A900 E901	D894-I897 HydrophobicContact CB-CD1 4.14Å; D894-I897 HydrophobicContact CB-CG1 4.09Å; D894-I897 PolarHBondContact O-N 3.24Å; P895-I897 VanDerWaalsContact C-N 3.3Å; P895-I897 PolarHBondContact O-N 2.82Å; I897-Q899 VanDerWaalsContact C-N 3.31Å; I897-Q899 PolarHBondContact O-N 3.02Å; I897-A900 WeakPolarHBondContact O-CB 3.3Å; I897-A900 PolarHBondContact O-N 2.89Å; I897-A900 VanDerWaalsContact O-N 3.1Å; I897-E901 PolarHBondContact O-N 3.08Å
898	L	44.6	Very low	48.9	Very low	105 Å²	105	108.2 Å²	108.2	55%	0.55	58%	0.583	S	S	.	*	H	α-helix	trans	-64.2	-37.6	174.3	-71.1	169.1	0	0	0	111.4	V893 P895 A900 E902	V893-L898 HydrophobicContact CG1-CD1 4.23Å; V893-L898 HydrophobicContact CG1-CG 4.25Å; P895-L898 PolarHBondContact O-N 2.68Å; L898-A900 VanDerWaalsContact C-N 3.34Å; L898-E902 WeakPolarHBondContact O-CB 3.41Å; L898-E902 PolarHBondContact O-N 2.97Å; L898-E902 VanDerWaalsContact O-N 3.07Å
899	Q	48.2	Very low	48.3	Very low	127 Å²	127	114.6 Å²	114.6	59%	0.593	60%	0.599	S	S	*	*	H	α-helix	trans	-69.4	-29.6	171.9	-68.6	-171.5	27.2	0	0	112.9	P895 I897 K903	P895-Q899 PolarHBondContact O-N 3.38Å; I897-Q899 VanDerWaalsContact C-N 3.31Å; I897-Q899 PolarHBondContact O-N 3.02Å; Q899-K903 WeakPolarHBondContact O-CB 3.34Å; Q899-K903 PolarHBondContact O-N 2.81Å
900	A	49.7	Very low	47.9	Very low	46 Å²	46	113.1 Å²	113.1	38%	0.38	59%	0.592	S	S	.	*	H	α-helix	trans	-68.5	-45.1	174.3	0	0	0	0	0	111.8	D896 I897 L898 K903 I904	D896-A900 WeakPolarHBondContact O-CB 3.43Å; D896-A900 PolarHBondContact O-N 2.87Å; I897-A900 WeakPolarHBondContact O-CB 3.3Å; I897-A900 PolarHBondContact O-N 2.89Å; I897-A900 VanDerWaalsContact O-N 3.1Å; L898-A900 VanDerWaalsContact C-N 3.34Å; A900-K903 PolarHBondContact O-N 2.95Å; A900-I904 WeakPolarHBondContact O-CB 3.31Å; A900-I904 WeakPolarHBondContact O-CD1 3.23Å; A900-I904 VanDerWaalsContact O-CG1 3.23Å; A900-I904 WeakPolarHBondContact O-CG1 3.45Å; A900-I904 PolarHBondContact O-N 2.85Å
901	E	47	Very low	47.5	Very low	130 Å²	130	117.9 Å²	117.9	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-64.6	-47.5	177.1	-68.6	-172.6	136.3	0	0	111.9	I897 K903 I904 E905	I897-E901 PolarHBondContact O-N 3.08Å; E901-K903 VanDerWaalsContact C-N 3.29Å; E901-K903 PolarHBondContact O-N 2.92Å; E901-I904 PolarHBondContact O-N 3.28Å; E901-E905 PolarHBondContact O-N 3.11Å
902	E	45.9	Very low	47.7	Very low	141 Å²	141	117.7 Å²	117.7	66%	0.659	61%	0.606	S	S	*	*	H	α-helix	trans	-62.6	-35.7	177.8	-169.3	171.2	-136.7	0	0	111.9	L898 V906	L898-E902 WeakPolarHBondContact O-CB 3.41Å; L898-E902 PolarHBondContact O-N 2.97Å; L898-E902 VanDerWaalsContact O-N 3.07Å; E902-V906 WeakPolarHBondContact O-CG2 3.47Å; E902-V906 PolarHBondContact O-N 3.14Å; E902-V906 VanDerWaalsContact O-N 3.16Å
903	K	47	Very low	48.1	Very low	128 Å²	128	114.9 Å²	114.9	56%	0.557	60%	0.596	S	S	*	*	H	α-helix	trans	-72.8	-35.5	176.5	-170.1	174.5	-177.9	-175.4	0	113.2	Q899 A900 E901 V906 E907	Q899-K903 WeakPolarHBondContact O-CB 3.34Å; Q899-K903 PolarHBondContact O-N 2.81Å; A900-K903 PolarHBondContact O-N 2.95Å; E901-K903 VanDerWaalsContact C-N 3.29Å; E901-K903 PolarHBondContact O-N 2.92Å; K903-V906 PolarHBondContact O-N 3.32Å; K903-E907 VanDerWaalsContact CE-OE1 3.31Å; K903-E907 WeakPolarHBondContact CE-OE1 3.27Å; K903-E907 PolarHBondContact O-N 2.87Å
904	I	51.8	Low	48.2	Very low	107 Å²	107	116.4 Å²	116.4	55%	0.549	60%	0.6	S	S	.	*	H	α-helix	trans	-66.8	-40.3	173.6	-70.6	164.4	0	0	0	110.5	A900 E901 V906 T908	A900-I904 WeakPolarHBondContact O-CB 3.31Å; A900-I904 WeakPolarHBondContact O-CD1 3.23Å; A900-I904 VanDerWaalsContact O-CG1 3.23Å; A900-I904 WeakPolarHBondContact O-CG1 3.45Å; A900-I904 PolarHBondContact O-N 2.85Å; E901-I904 PolarHBondContact O-N 3.28Å; I904-V906 VanDerWaalsContact C-N 3.27Å; I904-V906 PolarHBondContact O-N 3.18Å; I904-T908 VanDerWaalsContact O-CB 3.27Å; I904-T908 WeakPolarHBondContact O-CB 3.17Å; I904-T908 PolarHBondContact O-N 3.36Å; I904-T908 PolarHBondContact O-OG1 2.67Å
905	E	48.2	Very low	48.6	Very low	111 Å²	111	117.6 Å²	117.6	52%	0.519	60%	0.604	S	S	.	*	H	α-helix	trans	-64.3	-30.6	174.5	-117.5	-145.9	123.4	0	0	112.8	E901 R909	E901-E905 PolarHBondContact O-N 3.11Å; E905-R909 WeakPolarHBondContact O-CG 3.47Å; E905-R909 IonicContact OE1-CZ 3.39Å; E905-R909 VanDerWaalsContact OE1-CZ 3.27Å; E905-R909 IonicContact OE1-NH1 2.72Å; E905-R909 PolarHBondContact OE1-NH1 3Å; E905-R909 IonicContact OE1-NH2 3.62Å; E905-R909 PolarHBondContact OE1-NH2 3.44Å
906	V	51.3	Low	48.6	Very low	96 Å²	96	120.1 Å²	120.1	58%	0.582	61%	0.61	S	S	*	*	H	α-helix	trans	-76.8	-48.6	176.1	169.9	0	0	0	0	112.1	E902 K903 I904 T908 R909	E902-V906 WeakPolarHBondContact O-CG2 3.47Å; E902-V906 PolarHBondContact O-N 3.14Å; E902-V906 VanDerWaalsContact O-N 3.16Å; K903-V906 PolarHBondContact O-N 3.32Å; I904-V906 VanDerWaalsContact C-N 3.27Å; I904-V906 PolarHBondContact O-N 3.18Å; V906-T908 VanDerWaalsContact C-N 3.34Å; V906-T908 PolarHBondContact O-N 3.21Å; V906-R909 PolarHBondContact O-N 3.02Å; V906-R909 VanDerWaalsContact O-N 3.11Å
907	E	52.9	Low	48.5	Very low	110 Å²	110	120.5 Å²	120.5	51%	0.514	61%	0.611	S	S	.	*	H	α-helix	trans	-66	-36.6	-179.7	-73.4	179.8	-179.7	0	0	111.4	K903 R909 S910	K903-E907 VanDerWaalsContact CE-OE1 3.31Å; K903-E907 WeakPolarHBondContact CE-OE1 3.27Å; K903-E907 PolarHBondContact O-N 2.87Å; E907-R909 PolarHBondContact O-N 2.8Å; E907-S910 PolarHBondContact O-N 3.11Å; E907-S910 PolarHBondContact O-OG 2.86Å
908	T	51.2	Low	48.3	Very low	104 Å²	104	122.1 Å²	122.1	64%	0.638	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-5.3	175.1	-42.4	0	0	0	0	113.7	I904 V906	I904-T908 VanDerWaalsContact O-CB 3.27Å; I904-T908 WeakPolarHBondContact O-CB 3.17Å; I904-T908 PolarHBondContact O-N 3.36Å; I904-T908 PolarHBondContact O-OG1 2.67Å; V906-T908 VanDerWaalsContact C-N 3.34Å; V906-T908 PolarHBondContact O-N 3.21Å
909	R	50.3	Low	48.6	Very low	193 Å²	193	123.4 Å²	123.4	73%	0.728	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	7.6	168.6	-80	-174.4	174.8	119.8	11.7	113.5	E905 V906 E907	E905-R909 WeakPolarHBondContact O-CG 3.47Å; E905-R909 IonicContact OE1-CZ 3.39Å; E905-R909 VanDerWaalsContact OE1-CZ 3.27Å; E905-R909 IonicContact OE1-NH1 2.72Å; E905-R909 PolarHBondContact OE1-NH1 3Å; E905-R909 IonicContact OE1-NH2 3.62Å; E905-R909 PolarHBondContact OE1-NH2 3.44Å; V906-R909 PolarHBondContact O-N 3.02Å; V906-R909 VanDerWaalsContact O-N 3.11Å; E907-R909 PolarHBondContact O-N 2.8Å
910	S	48.6	Very low	48.7	Very low	86 Å²	86	123.1 Å²	123.1	60%	0.601	63%	0.626	S	S	*	*			trans	-125.1	15.2	-175.6	66.6	0	0	0	0	115.1	E907	E907-S910 PolarHBondContact O-N 3.11Å; E907-S910 PolarHBondContact O-OG 2.86Å
911	L	40.1	Very low	48.6	Very low	225 Å²	225	130.1 Å²	130.1	100%	1.178	65%	0.648	S	S	*	*			trans	-130.2	0	174.4	-75.7	171	0	0	0	111

Retrieved 911 of 911 residues in 409.2 ms (Link to these results)

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