A0A077Z058_TRITR Loading...

phosphoinositide 5-phosphatase

AlphaFold DB , UniProt , Accession A0A077Z058, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 922 aa.

						>A0A077Z058_TRITR|A0A077Z058
MPEDREDSFVHCLILVSNCSLIGQLGRCDAYRISEVFVFPLRSDGSVKQSDPRLLQVQKLLVCGLFLFGWNRELGCHLERFGINAGEWLTPCIGGVVEVKTIYVGVLTAKACLISRISGDRMGTRFNVRGVNDFGHVANFVETEQVIYFGEDVVSYVQTRGSVPLFWDQPGIQVGSHKIKINRSLGSSAAAYSRHIQWLKSLYGDVAIVNLLGSKGDEGILSEAYQSVHSSFATRHSIPFFSFDLHAQAKNGGRSKCLPFLWNQLEGFVSNCGYFHCKGANLLCKQNGVLRINCLDCLDRTNSAQSFIGLKVLDWMLQTIGVADKANICTRFVEVYKSCWVQNGDQCSKLYTGTAAQEGKSKFKDASISVSRTIQGNLMDKSKQQTINFLLRNSEVRPDLSARANSIVPCRQLNGGLNIVTTRRLSIPFCFAAYPAIIASILENREVYLGESNLTIFCGTWNVNGGQLTSSVVFRKESSLSNWLINLSSSSNDGSFDPYDIYAIGLQEMVDLNASNVLSASLTNQNHWREAFLKVLNGSGCYVLVELVQLVGICLFVFVRPELIPHVRDVSTGIVKTGFGGTMGNKGGTAISFTLFSTSLCFLCSHFSAGQSQVQERNDDYDGTWRRLRFPSDMYVFSHDFVFWFGDFNYRVDMAGDDVKKAIELRRWDTLWAADQLTQQRETGNIFVGFDEGPLEFPPTYKYDAFSDSYDTSEKARIPAWTDRVLFWERGVNESGKRRCKILAYNRAELKTSDHRPVGAIFEVAIQKMDVAKFRPALRDIVSGMGPLDAACCVRLSDGSDVTNLLCKIKEKVRELNVQPCCVKCFGSHALFVFGRPGDALAALSMDGVKIESHALSVELRTAQWEQVALLAMEDFLQGLNVGSFEEEEIDGATRLRMEASPIAVSELAAVPPKRPPPPSIA
					

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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	35.2	Very low	46.1	Very low	137 Å²	137	123.6 Å²	123.6	68%	0.675	62%	0.621	S	S	*	*				0	133.2	0	-73.5	-69.6	-99.5	0	0	107.2	E3 W625 F637	M1-E3 PolarHBondContact O-N 3.21Å; M1-E3 VanDerWaalsContact O-N 3.1Å; M1-W625 HydrophobicContact CE-CD2 4.4Å; M1-W625 HydrophobicContact CE-CE3 3.86Å; M1-W625 HydrophobicContact CE-CH2 3.53Å; M1-W625 HydrophobicContact CE-CZ2 4.1Å; M1-W625 HydrophobicContact CE-CZ3 3.4Å; M1-W625 HydrophobicContact SD-CH2 3.94Å; M1-W625 HydrophobicContact SD-CZ2 4.35Å; M1-W625 HydrophobicContact SD-CZ3 4.4Å; M1-F637 HydrophobicContact CE-CB 4.19Å; M1-F637 HydrophobicContact CE-CD1 4.32Å; M1-F637 HydrophobicContact CE-CD2 3.01Å; M1-F637 HydrophobicContact CE-CE2 3.26Å; M1-F637 HydrophobicContact CE-CG 3.59Å; M1-F637 HydrophobicContact CE-CZ 4.04Å
2	P	31.8	Very low	48.4	Very low	113 Å²	113	116.8 Å²	116.8	73%	0.734	59%	0.593	S	S	*	*			trans	-69.5	111.4	-167	28.7	-33.9	0	0	0	110.3
3	E	38.3	Very low	50.9	Low	153 Å²	153	114.5 Å²	114.5	72%	0.715	58%	0.583	S	S	*	*			trans	-81.1	-1	173.2	-70.6	-174.4	145.5	0	0	112.6	M1 R5	M1-E3 PolarHBondContact O-N 3.21Å; M1-E3 VanDerWaalsContact O-N 3.1Å; E3-R5 PolarHBondContact O-N 2.88Å
4	D	34.4	Very low	53	Low	151 Å²	151	109.4 Å²	109.4	81%	0.807	56%	0.556	S	S	*	*			trans	-100.4	59.3	-169.5	-61.2	-33.3	0	0	0	114.5
5	R	38.6	Very low	55.1	Low	201 Å²	201	107.5 Å²	107.5	76%	0.758	55%	0.548	S	S	*	.			trans	-108.8	95.3	154.1	-71	-167.8	-169.5	-163.7	1.2	108.6	E3 D7	E3-R5 PolarHBondContact O-N 2.88Å; R5-D7 VanDerWaalsContact C-N 3.3Å; R5-D7 PolarHBondContact O-N 3.28Å
6	E	37.5	Very low	56.9	Low	195 Å²	195	105.1 Å²	105.1	91%	0.911	54%	0.54	S	S	*	.			trans	-68.9	89.2	163.9	-74.9	-172.6	154	0	0	108.7	S8	E6-S8 PolarHBondContact O-N 2.59Å
7	D	47	Very low	58.8	Low	117 Å²	117	101.8 Å²	101.8	63%	0.626	53%	0.528	S	S	*	.			trans	-69.6	107.2	163.8	-77.5	-28.2	0	0	0	107.7	R5 F9	R5-D7 VanDerWaalsContact C-N 3.3Å; R5-D7 PolarHBondContact O-N 3.28Å; D7-F9 PolarHBondContact O-N 3.37Å
8	S	50.8	Low	60.4	Low	89 Å²	89	100.9 Å²	100.9	62%	0.622	52%	0.524	S	S	*	.			trans	-65.6	115.4	177.6	59.8	0	0	0	0	110.7	E6	E6-S8 PolarHBondContact O-N 2.59Å
9	F	59.8	Low	61.8	Low	101 Å²	101	98.7 Å²	98.7	44%	0.443	52%	0.518	S	S	.	.			trans	-71.9	140.9	174.4	-64.5	-86.8	0	0	0	111.4	D7 E395	D7-F9 PolarHBondContact O-N 3.37Å; F9-E395 WeakPolarHBondContact CE2-O 3.49Å; F9-E395 WeakPolarHBondContact CZ-O 3.39Å
10	V	63.5	Low	63	Low	47 Å²	47	95.6 Å²	95.6	29%	0.285	50%	0.504	S	S	.	.			trans	-115.6	107.3	176.4	-177.7	0	0	0	0	109.1	P40 V47	V10-P40 HydrophobicContact CG1-CB 4.38Å; V10-V47 HydrophobicContact CB-CG2 4.44Å; V10-V47 HydrophobicContact CG1-CB 4.31Å; V10-V47 HydrophobicContact CG1-CG2 4.01Å; V10-V47 HydrophobicContact CG2-CG2 3.77Å
11	H	70.3	Confident	64.2	Low	56 Å²	56	95.9 Å²	95.9	26%	0.259	51%	0.506	S	S	.	.			trans	-76.1	134.2	173.1	-60.3	85	0	0	0	110.7	L41 E395	H11-L41 HydrophobicContact CB-CB 4.24Å; H11-L41 HydrophobicContact CB-CD1 4.15Å; H11-L41 PolarHBondContact O-N 2.93Å; H11-E395 IonicContact CD2-OE1 3.53Å; H11-E395 IonicContact CE1-OE1 2.67Å; H11-E395 IonicContact NE2-OE1 3.25Å; H11-E395 PolarHBondContact NE2-OE1 3.15Å
12	C	74	Confident	66.6	Low	42 Å²	42	91.3 Å²	91.3	28%	0.284	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.1	178	-61.6	0	0	0	0	110.9	V38 F39	C12-V38 HydrophobicContact CB-CG1 3.72Å; C12-F39 CarbonylContact C-O 3.47Å; C12-F39 VanDerWaalsContact CA-O 3.22Å; C12-F39 WeakPolarHBondContact CA-O 3.48Å
13	L	80.8	Confident	69.1	Low	87 Å²	87	86.7 Å²	86.7	46%	0.455	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.6	165.8	175.2	65.2	0	0	0	109.3	V38 F39 L41	L13-V38 CarbonylContact O-C 3.54Å; L13-V38 WeakPolarHBondContact O-CA 3.3Å; L13-F39 HydrophobicContact CB-CB 4.4Å; L13-F39 PolarHBondContact N-O 2.83Å; L13-F39 PolarHBondContact O-N 3.09Å; L13-L41 HydrophobicContact CB-CD2 3.92Å; L13-L41 HydrophobicContact CB-CG 4.33Å
14	I	79.5	Confident	71.3	Confident	42 Å²	42	83.2 Å²	83.2	22%	0.215	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.1	172.6	-57.5	-179.6	0	0	0	107.8	V36 V38 V57 L61 L74 L390	I14-V36 HydrophobicContact CG2-CG1 3.73Å; I14-V38 HydrophobicContact CG1-CG1 4.42Å; I14-V38 HydrophobicContact CG1-CG2 4.37Å; I14-V57 HydrophobicContact CD1-CG1 4.23Å; I14-L61 HydrophobicContact CD1-CD1 4.33Å; I14-L61 HydrophobicContact CG2-CD1 3.48Å; I14-L61 VanDerWaalsContact CG2-CD1 3.48Å; I14-L74 HydrophobicContact CB-CD1 4.31Å; I14-L74 HydrophobicContact CD1-CD1 3.9Å; I14-L74 HydrophobicContact CD1-CD2 4.2Å; I14-L390 HydrophobicContact CD1-CD2 3.81Å
15	L	85	Confident	73.6	Confident	81 Å²	81	77.5 Å²	77.5	42%	0.424	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.3	-178.1	180	67.1	0	0	0	110.2	S17 V36 F37 F39	L15-S17 PolarHBondContact O-N 2.8Å; L15-V36 CarbonylContact O-C 3.53Å; L15-V36 WeakPolarHBondContact O-CA 3.07Å; L15-F37 PolarHBondContact N-O 2.83Å; L15-F37 PolarHBondContact O-N 2.83Å; L15-F39 HydrophobicContact CB-CE2 4.24Å; L15-F39 HydrophobicContact CD2-CE2 4.1Å
16	V	84.3	Confident	75.5	Confident	69 Å²	69	69.4 Å²	69.4	42%	0.418	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.9	165.1	177.9	0	0	0	0	107.7	I33 V36	V16-I33 HydrophobicContact CG1-CG1 4.11Å; V16-I33 HydrophobicContact CG1-CG2 4.12Å; V16-I33 HydrophobicContact CG2-CD1 3.74Å; V16-I33 HydrophobicContact CG2-CG1 4.21Å; V16-I33 HydrophobicContact CG2-CG2 4.42Å; V16-V36 HydrophobicContact CG2-CG2 4.34Å
17	S	88.4	Confident	77.6	Confident	50 Å²	50	72 Å²	72	35%	0.35	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-22.2	-179.4	51.6	0	0	0	0	113	L15 E35 F37	L15-S17 PolarHBondContact O-N 2.8Å; S17-E35 PolarHBondContact N-O 3Å; S17-E35 VanDerWaalsContact N-O 3.12Å; S17-E35 WeakPolarHBondContact OG-CB 3.47Å; S17-E35 VanDerWaalsContact OG-CG 3.24Å; S17-E35 WeakPolarHBondContact OG-CG 3.5Å; S17-E35 PolarHBondContact OG-O 2.86Å; S17-E35 PolarHBondContact OG-OE2 3.42Å; S17-F37 WeakPolarHBondContact OG-CD2 3.48Å; S17-F37 WeakPolarHBondContact OG-CE2 3.32Å
18	N	88.6	Confident	79.4	Confident	85 Å²	85	70.5 Å²	70.5	46%	0.455	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.4	-177.6	-155	-11.4	0	0	0	112.2	S34 E35	N18-S34 WeakPolarHBondContact CB-OG 3.39Å; N18-S34 PolarHBondContact O-N 2.95Å; N18-S34 PolarHBondContact O-OG 3.41Å; N18-S34 VanDerWaalsContact O-OG 3.14Å; N18-E35 HydrophobicContact CB-CB 3.68Å; N18-E35 PolarHBondContact N-O 2.96Å; N18-E35 PolarHBondContact O-N 3.37Å
19	C	86	Confident	81.1	Confident	59 Å²	59	70.2 Å²	70.2	40%	0.399	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.4	175	66.9	0	0	0	0	111.3	Y31 R32 S34	C19-Y31 HydrophobicContact CB-CD1 4.42Å; C19-Y31 VanDerWaalsContact SG-CD1 3.58Å; C19-R32 CarbonylContact C-O 3.55Å; C19-R32 WeakPolarHBondContact CA-O 3.3Å; C19-R32 WeakPolarHBondContact CB-O 3.22Å; C19-S34 PolarHBondContact N-OG 3.13Å
20	S	86.2	Confident	82.3	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.2	176.2	63.6	0	0	0	0	110.5	I22 R32	S20-I22 PolarHBondContact O-N 3.41Å; S20-R32 PolarHBondContact N-O 3.11Å; S20-R32 PolarHBondContact O-N 3.02Å; S20-R32 PolarHBondContact OG-NE 2.58Å; S20-R32 PolarHBondContact OG-NH2 3.35Å
21	L	87.8	Confident	83.3	Confident	103 Å²	103	68 Å²	68	54%	0.539	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	125.4	173.1	-179.4	68.2	0	0	0	110.3	D29 Y31	L21-D29 HydrophobicContact CD1-CB 3.74Å; L21-Y31 HydrophobicContact CB-CD1 4.35Å; L21-Y31 HydrophobicContact CB-CE1 4.14Å; L21-Y31 HydrophobicContact CD1-CD1 4.47Å; L21-Y31 HydrophobicContact CD1-CE1 4.05Å
22	I	85.6	Confident	83.9	Confident	40 Å²	40	71.2 Å²	71.2	21%	0.205	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-40.9	175.6	-55.3	170.4	0	0	0	109.8	S20 A30 R32 L65 V97 V99	S20-I22 PolarHBondContact O-N 3.41Å; I22-A30 HydrophobicContact CB-CB 4.38Å; I22-A30 WeakPolarHBondContact CB-O 3.39Å; I22-A30 PolarHBondContact N-O 3.34Å; I22-R32 HydrophobicContact CD1-CB 3.82Å; I22-R32 HydrophobicContact CG1-CB 3.82Å; I22-L65 HydrophobicContact CD1-CD1 3.68Å; I22-L65 HydrophobicContact CD1-CD2 3.74Å; I22-L65 HydrophobicContact CD1-CG 4.08Å; I22-V97 HydrophobicContact CD1-CB 4.21Å; I22-V97 HydrophobicContact CG2-CG1 4.46Å; I22-V97 WeakPolarHBondContact CG2-O 3.47Å; I22-V99 HydrophobicContact CG2-CG2 4.43Å
23	G	85.3	Confident	84.3	Confident	16 Å²	16	70 Å²	70	17%	0.165	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-172.7	-178.6	0	0	0	0	0	111.7	A30	G23-A30 PolarHBondContact O-N 3.38Å
24	Q	84.3	Confident	84.4	Confident	81 Å²	81	68.3 Å²	68.3	38%	0.379	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.1	-176.4	-164.8	-179.2	34.6	0	0	111	G26 C28	Q24-G26 WeakPolarHBondContact CG-O 3.39Å; Q24-C28 CarbonylContact C-O 3.59Å; Q24-C28 WeakPolarHBondContact CA-O 3.34Å; Q24-C28 WeakPolarHBondContact CG-O 3.42Å
25	L	82.1	Confident	84.6	Confident	31 Å²	31	70 Å²	70	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	99.5	174.1	-63.1	175.5	0	0	0	108.6	R27 C28 A30 V97 V99 C112 I114 Y148	L25-R27 PolarHBondContact O-N 3.08Å; L25-C28 PolarHBondContact N-O 2.74Å; L25-C28 PolarHBondContact O-N 3.1Å; L25-A30 HydrophobicContact CD1-CB 4.06Å; L25-A30 HydrophobicContact CG-CB 4.29Å; L25-V97 HydrophobicContact CD1-CG1 4.37Å; L25-V99 HydrophobicContact CD2-CG2 3.54Å; L25-V99 HydrophobicContact CG-CG2 4.11Å; L25-C112 HydrophobicContact CD2-CB 3.64Å; L25-C112 WeakPolarHBondContact CD2-SG 3.31Å; L25-I114 HydrophobicContact CD1-CD1 4.11Å; L25-I114 HydrophobicContact CD2-CD1 4.4Å; L25-Y148 HydrophobicContact CD2-CE2 4.44Å
26	G	79.3	Confident	84.5	Confident	31 Å²	31	66.4 Å²	66.4	32%	0.32	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-110.7	-171.6	0	0	0	0	0	111.4	Q24	Q24-G26 WeakPolarHBondContact CG-O 3.39Å
27	R	81.8	Confident	84.5	Confident	248 Å²	248	66.8 Å²	66.8	94%	0.936	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	0.8	176.8	-63.1	-176.4	-178.1	175.9	1	113.8	L25	L25-R27 PolarHBondContact O-N 3.08Å
28	C	83.2	Confident	84	Confident	87 Å²	87	64.6 Å²	64.6	59%	0.588	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.6	-174.7	-59	0	0	0	0	111.2	Q24 L25	Q24-C28 CarbonylContact C-O 3.59Å; Q24-C28 WeakPolarHBondContact CA-O 3.34Å; Q24-C28 WeakPolarHBondContact CG-O 3.42Å; L25-C28 PolarHBondContact N-O 2.74Å; L25-C28 PolarHBondContact O-N 3.1Å
29	D	87.2	Confident	83.6	Confident	83 Å²	83	63.9 Å²	63.9	44%	0.444	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.9	170.7	-70	-26.4	0	0	0	110.6	L21 Y31	L21-D29 HydrophobicContact CD1-CB 3.74Å; D29-Y31 HydrophobicContact CB-CD2 4.26Å; D29-Y31 HydrophobicContact CB-CE2 3.42Å; D29-Y31 VanDerWaalsContact CB-CE2 3.42Å; D29-Y31 PolarHBondContact OD2-OH 3.08Å
30	A	84.2	Confident	83.2	Confident	3 Å²	3	62.8 Å²	62.8	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128	174.6	0	0	0	0	0	110	I22 G23 L25 V97	I22-A30 HydrophobicContact CB-CB 4.38Å; I22-A30 WeakPolarHBondContact CB-O 3.39Å; I22-A30 PolarHBondContact N-O 3.34Å; G23-A30 PolarHBondContact O-N 3.38Å; L25-A30 HydrophobicContact CD1-CB 4.06Å; L25-A30 HydrophobicContact CG-CB 4.29Å; A30-V97 HydrophobicContact CB-CG1 4.34Å
31	Y	85.9	Confident	82.6	Confident	99 Å²	99	66.4 Å²	66.4	39%	0.388	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.4	-178.6	-64.9	-90.6	0	0	0	111.5	C19 L21 D29	C19-Y31 HydrophobicContact CB-CD1 4.42Å; C19-Y31 VanDerWaalsContact SG-CD1 3.58Å; L21-Y31 HydrophobicContact CB-CD1 4.35Å; L21-Y31 HydrophobicContact CB-CE1 4.14Å; L21-Y31 HydrophobicContact CD1-CD1 4.47Å; L21-Y31 HydrophobicContact CD1-CE1 4.05Å; D29-Y31 HydrophobicContact CB-CD2 4.26Å; D29-Y31 HydrophobicContact CB-CE2 3.42Å; D29-Y31 VanDerWaalsContact CB-CE2 3.42Å; D29-Y31 PolarHBondContact OD2-OH 3.08Å
32	R	83.4	Confident	81.5	Confident	122 Å²	122	70.1 Å²	70.1	46%	0.46	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.4	169.5	178.6	176.8	64	-169.5	-2	109.2	C19 S20 I22 S34 L65	C19-R32 CarbonylContact C-O 3.55Å; C19-R32 WeakPolarHBondContact CA-O 3.3Å; C19-R32 WeakPolarHBondContact CB-O 3.22Å; S20-R32 PolarHBondContact N-O 3.11Å; S20-R32 PolarHBondContact O-N 3.02Å; S20-R32 PolarHBondContact OG-NE 2.58Å; S20-R32 PolarHBondContact OG-NH2 3.35Å; I22-R32 HydrophobicContact CD1-CB 3.82Å; I22-R32 HydrophobicContact CG1-CB 3.82Å; R32-S34 PolarHBondContact O-N 3.2Å; R32-L65 HydrophobicContact CB-CD1 3.79Å; R32-L65 HydrophobicContact CB-CG 4.46Å; R32-L65 HydrophobicContact CG-CD1 3.63Å; R32-L65 HydrophobicContact CG-CG 4.42Å
33	I	81.7	Confident	79.9	Confident	18 Å²	18	73.9 Å²	73.9	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127	172.5	-62.2	-179.8	0	0	0	109.2	V16 V36 F66	V16-I33 HydrophobicContact CG1-CG1 4.11Å; V16-I33 HydrophobicContact CG1-CG2 4.12Å; V16-I33 HydrophobicContact CG2-CD1 3.74Å; V16-I33 HydrophobicContact CG2-CG1 4.21Å; V16-I33 HydrophobicContact CG2-CG2 4.42Å; I33-V36 HydrophobicContact CG2-CG2 3.41Å; I33-V36 VanDerWaalsContact CG2-CG2 3.41Å; I33-F66 HydrophobicContact CD1-CB 3.72Å; I33-F66 HydrophobicContact CD1-CD2 3.95Å; I33-F66 HydrophobicContact CD1-CG 4.22Å
34	S	82.5	Confident	78.4	Confident	50 Å²	50	78.2 Å²	78.2	35%	0.35	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-23.4	177	51	0	0	0	0	112.7	N18 C19 R32	N18-S34 WeakPolarHBondContact CB-OG 3.39Å; N18-S34 PolarHBondContact O-N 2.95Å; N18-S34 PolarHBondContact O-OG 3.41Å; N18-S34 VanDerWaalsContact O-OG 3.14Å; C19-S34 PolarHBondContact N-OG 3.13Å; R32-S34 PolarHBondContact O-N 3.2Å
35	E	84.2	Confident	77.1	Confident	78 Å²	78	77.1 Å²	77.1	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.1	-178.5	-163.2	-179.1	-167.4	0	0	111.4	S17 N18 F37	S17-E35 PolarHBondContact N-O 3Å; S17-E35 VanDerWaalsContact N-O 3.12Å; S17-E35 WeakPolarHBondContact OG-CB 3.47Å; S17-E35 VanDerWaalsContact OG-CG 3.24Å; S17-E35 WeakPolarHBondContact OG-CG 3.5Å; S17-E35 PolarHBondContact OG-O 2.86Å; S17-E35 PolarHBondContact OG-OE2 3.42Å; N18-E35 HydrophobicContact CB-CB 3.68Å; N18-E35 PolarHBondContact N-O 2.96Å; N18-E35 PolarHBondContact O-N 3.37Å; E35-F37 VanDerWaalsContact OE1-CZ 3.3Å; E35-F37 WeakPolarHBondContact OE1-CZ 3.33Å
36	V	82.5	Confident	76.1	Confident	6 Å²	6	79.2 Å²	79.2	4%	0.036	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.5	178.9	-179.9	0	0	0	0	109.9	I14 L15 V16 I33 V38 L61 V62	I14-V36 HydrophobicContact CG2-CG1 3.73Å; L15-V36 CarbonylContact O-C 3.53Å; L15-V36 WeakPolarHBondContact O-CA 3.07Å; V16-V36 HydrophobicContact CG2-CG2 4.34Å; I33-V36 HydrophobicContact CG2-CG2 3.41Å; I33-V36 VanDerWaalsContact CG2-CG2 3.41Å; V36-V38 HydrophobicContact CG1-CG2 4.42Å; V36-L61 HydrophobicContact CB-CB 4.34Å; V36-L61 HydrophobicContact CG1-CB 4.36Å; V36-L61 HydrophobicContact CG1-CD1 3.79Å; V36-L61 HydrophobicContact CG2-CB 3.88Å; V36-V62 HydrophobicContact CB-CG2 4.35Å; V36-V62 HydrophobicContact CG2-CG2 4.18Å
37	F	83.7	Confident	75.2	Confident	77 Å²	77	78.7 Å²	78.7	34%	0.338	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.7	166.9	-66.5	-62.3	0	0	0	110.8	L15 S17 E35 F39	L15-F37 PolarHBondContact N-O 2.83Å; L15-F37 PolarHBondContact O-N 2.83Å; S17-F37 WeakPolarHBondContact OG-CD2 3.48Å; S17-F37 WeakPolarHBondContact OG-CE2 3.32Å; E35-F37 VanDerWaalsContact OE1-CZ 3.3Å; E35-F37 WeakPolarHBondContact OE1-CZ 3.33Å; F37-F39 HydrophobicContact CB-CD2 4.05Å; F37-F39 HydrophobicContact CB-CE1 4.47Å; F37-F39 HydrophobicContact CB-CE2 3.29Å; F37-F39 HydrophobicContact CB-CZ 3.54Å; F37-F39 HydrophobicContact CD2-CZ 4.3Å; F37-F39 HydrophobicContact CG-CE2 4.14Å; F37-F39 AromaticContact CG-CZ 3.94Å; F37-F39 HydrophobicContact CG-CZ 3.94Å
38	V	79.1	Confident	74.5	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.018	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114	174.9	-175.6	0	0	0	0	107.4	C12 L13 I14 V36 L54 V57 Q58	C12-V38 HydrophobicContact CB-CG1 3.72Å; L13-V38 CarbonylContact O-C 3.54Å; L13-V38 WeakPolarHBondContact O-CA 3.3Å; I14-V38 HydrophobicContact CG1-CG1 4.42Å; I14-V38 HydrophobicContact CG1-CG2 4.37Å; V36-V38 HydrophobicContact CG1-CG2 4.42Å; V38-L54 HydrophobicContact CG1-CD2 3.85Å; V38-V57 HydrophobicContact CG2-CG1 4Å; V38-Q58 HydrophobicContact CB-CG 4.34Å; V38-Q58 HydrophobicContact CG2-CG 3.62Å
39	F	80.5	Confident	73.7	Confident	70 Å²	70	75 Å²	75	31%	0.307	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.3	-175.6	-61.4	-82.9	0	0	0	110.3	C12 L13 L15 F37 L41	C12-F39 CarbonylContact C-O 3.47Å; C12-F39 VanDerWaalsContact CA-O 3.22Å; C12-F39 WeakPolarHBondContact CA-O 3.48Å; L13-F39 HydrophobicContact CB-CB 4.4Å; L13-F39 PolarHBondContact N-O 2.83Å; L13-F39 PolarHBondContact O-N 3.09Å; L15-F39 HydrophobicContact CB-CE2 4.24Å; L15-F39 HydrophobicContact CD2-CE2 4.1Å; F37-F39 HydrophobicContact CB-CD2 4.05Å; F37-F39 HydrophobicContact CB-CE1 4.47Å; F37-F39 HydrophobicContact CB-CE2 3.29Å; F37-F39 HydrophobicContact CB-CZ 3.54Å; F37-F39 HydrophobicContact CD2-CZ 4.3Å; F37-F39 HydrophobicContact CG-CE2 4.14Å; F37-F39 AromaticContact CG-CZ 3.94Å; F37-F39 HydrophobicContact CG-CZ 3.94Å; F39-L41 PolarHBondContact O-N 2.79Å
40	P	76.2	Confident	72.9	Confident	37 Å²	37	74.9 Å²	74.9	24%	0.24	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.6	171	26.4	-31.4	0	0	0	109.8	V10	V10-P40 HydrophobicContact CG1-CB 4.38Å
41	L	73.6	Confident	72.2	Confident	112 Å²	112	75.8 Å²	75.8	59%	0.586	40%	0.398	S	S	*	.	S	Bend	trans	-83	-20.3	-175.9	-70	177.7	0	0	0	113.3	H11 L13 F39	H11-L41 HydrophobicContact CB-CB 4.24Å; H11-L41 HydrophobicContact CB-CD1 4.15Å; H11-L41 PolarHBondContact O-N 2.93Å; L13-L41 HydrophobicContact CB-CD2 3.92Å; L13-L41 HydrophobicContact CB-CG 4.33Å; F39-L41 PolarHBondContact O-N 2.79Å
42	R	65.2	Low	71.6	Confident	180 Å²	180	75.9 Å²	75.9	68%	0.679	41%	0.41	S	S	*	.			trans	-120.5	122	172.9	-70.8	-174	175.5	-177.1	0.6	109.5
43	S	51.6	Low	70.9	Confident	119 Å²	119	77.5 Å²	77.5	83%	0.832	42%	0.416	S	S	*	.			trans	-96	80.8	172.4	63.6	0	0	0	0	109.3	G45	S43-G45 PolarHBondContact O-N 3.39Å
44	D	55	Low	70.6	Confident	108 Å²	108	77.5 Å²	77.5	58%	0.578	42%	0.416	S	S	*	.	S	Bend	trans	-76.2	0.6	158	64.8	-5.6	0	0	0	111.3	S46	D44-S46 PolarHBondContact O-N 3Å; D44-S46 VanDerWaalsContact OD1-CB 3.23Å; D44-S46 WeakPolarHBondContact OD1-CB 3.43Å; D44-S46 PolarHBondContact OD1-N 3.04Å; D44-S46 PolarHBondContact OD1-OG 3.29Å; D44-S46 PolarHBondContact OD2-OG 3.3Å; D44-S46 VanDerWaalsContact OD2-OG 3.09Å
45	G	56.7	Low	70.3	Confident	58 Å²	58	78.4 Å²	78.4	60%	0.598	42%	0.417	S	S	*	.	S	Bend	trans	82.3	-4.3	-176.9	0	0	0	0	0	113.8	S43	S43-G45 PolarHBondContact O-N 3.39Å
46	S	60.2	Low	69.7	Low	75 Å²	75	75.7 Å²	75.7	52%	0.524	40%	0.404	S	S	.	.	S	Bend	trans	-76.5	-32.1	-175.6	73.1	0	0	0	0	113.1	D44	D44-S46 PolarHBondContact O-N 3Å; D44-S46 VanDerWaalsContact OD1-CB 3.23Å; D44-S46 WeakPolarHBondContact OD1-CB 3.43Å; D44-S46 PolarHBondContact OD1-N 3.04Å; D44-S46 PolarHBondContact OD1-OG 3.29Å; D44-S46 PolarHBondContact OD2-OG 3.3Å; D44-S46 VanDerWaalsContact OD2-OG 3.09Å
47	V	61.8	Low	69.3	Low	19 Å²	19	75.8 Å²	75.8	12%	0.115	41%	0.405	C	S	.	.			trans	-114.4	112.6	-178.9	-176.3	0	0	0	0	111.3	V10 D51 L54	V10-V47 HydrophobicContact CB-CG2 4.44Å; V10-V47 HydrophobicContact CG1-CB 4.31Å; V10-V47 HydrophobicContact CG1-CG2 4.01Å; V10-V47 HydrophobicContact CG2-CG2 3.77Å; V47-D51 HydrophobicContact CG1-CB 3.96Å; V47-L54 HydrophobicContact CG1-CD1 3.68Å; V47-L54 HydrophobicContact CG1-CG 4.35Å
48	K	66.5	Low	68.9	Low	147 Å²	147	74.1 Å²	74.1	64%	0.639	40%	0.398	S	S	*	.			trans	-88.3	154.3	172	-64.1	-177.7	-179.7	179.6	0	109.8	S50 D51	K48-S50 WeakPolarHBondContact CB-OG 3.4Å; K48-S50 PolarHBondContact O-N 2.97Å; K48-D51 VanDerWaalsContact O-CB 3.22Å; K48-D51 WeakPolarHBondContact O-CB 3.24Å; K48-D51 PolarHBondContact O-N 2.81Å
49	Q	66.8	Low	68.7	Low	110 Å²	110	79.3 Å²	79.3	51%	0.514	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.2	170.5	-85.8	-176	-16.2	0	0	113.2	D51	Q49-D51 PolarHBondContact O-N 2.82Å
50	S	68.9	Low	68.2	Low	81 Å²	81	76.1 Å²	76.1	57%	0.566	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	4.8	174.8	63.8	0	0	0	0	114.4	K48 P52	K48-S50 WeakPolarHBondContact CB-OG 3.4Å; K48-S50 PolarHBondContact O-N 2.97Å; S50-P52 WeakPolarHBondContact O-CD 3.24Å
51	D	71.3	Confident	68.1	Low	23 Å²	23	74.8 Å²	74.8	12%	0.123	40%	0.398	C	S	.	.			trans	-60.1	123.2	177.7	-173.8	-51	0	0	0	109.8	V47 K48 Q49 R53 L54 L55	V47-D51 HydrophobicContact CG1-CB 3.96Å; K48-D51 VanDerWaalsContact O-CB 3.22Å; K48-D51 WeakPolarHBondContact O-CB 3.24Å; K48-D51 PolarHBondContact O-N 2.81Å; Q49-D51 PolarHBondContact O-N 2.82Å; D51-R53 PolarHBondContact O-N 3.17Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.44Å; D51-R53 WeakPolarHBondContact OD1-CG 3.3Å; D51-R53 IonicContact OD1-CZ 2.71Å; D51-R53 PolarHBondContact OD1-N 2.82Å; D51-R53 IonicContact OD1-NE 3.31Å; D51-R53 PolarHBondContact OD1-NE 2.94Å; D51-R53 IonicContact OD1-NH2 2.8Å; D51-R53 IonicContact OD2-CZ 3.71Å; D51-R53 IonicContact OD2-NE 2.74Å; D51-R53 PolarHBondContact OD2-NE 2.9Å; D51-R53 IonicContact OD2-NH2 3.68Å; D51-R53 PolarHBondContact OD2-NH2 2.81Å; D51-L54 HydrophobicContact CB-CB 4.41Å; D51-L54 HydrophobicContact CB-CD1 4.15Å; D51-L54 HydrophobicContact CB-CG 3.99Å; D51-L54 PolarHBondContact O-N 3.33Å; D51-L55 PolarHBondContact O-N 2.99Å
52	P	73.2	Confident	68	Low	101 Å²	101	72.4 Å²	72.4	66%	0.656	39%	0.388	S	S	*	.	H	α-helix	trans	-54.2	-30.4	-178.4	-27.8	35	0	0	0	114.2	S50 Q56	S50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-Q56 WeakPolarHBondContact O-CB 3.33Å; P52-Q56 PolarHBondContact O-N 3.27Å
53	R	68.9	Low	67.9	Low	156 Å²	156	67.4 Å²	67.4	59%	0.589	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-45.1	177.6	-57.8	172.5	-69.5	175.7	-0.1	110.6	D51 Q56 V57	D51-R53 PolarHBondContact O-N 3.17Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.44Å; D51-R53 WeakPolarHBondContact OD1-CG 3.3Å; D51-R53 IonicContact OD1-CZ 2.71Å; D51-R53 PolarHBondContact OD1-N 2.82Å; D51-R53 IonicContact OD1-NE 3.31Å; D51-R53 PolarHBondContact OD1-NE 2.94Å; D51-R53 IonicContact OD1-NH2 2.8Å; D51-R53 IonicContact OD2-CZ 3.71Å; D51-R53 IonicContact OD2-NE 2.74Å; D51-R53 PolarHBondContact OD2-NE 2.9Å; D51-R53 IonicContact OD2-NH2 3.68Å; D51-R53 PolarHBondContact OD2-NH2 2.81Å; R53-Q56 PolarHBondContact O-N 3.29Å; R53-V57 WeakPolarHBondContact O-CG2 3.42Å; R53-V57 PolarHBondContact O-N 3.01Å
54	L	74.1	Confident	68.2	Low	17 Å²	17	61.9 Å²	61.9	9%	0.089	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-41.6	177.5	-58.6	-175	0	0	0	111.3	V38 V47 D51 Q56 V57 Q58	V38-L54 HydrophobicContact CG1-CD2 3.85Å; V47-L54 HydrophobicContact CG1-CD1 3.68Å; V47-L54 HydrophobicContact CG1-CG 4.35Å; D51-L54 HydrophobicContact CB-CB 4.41Å; D51-L54 HydrophobicContact CB-CD1 4.15Å; D51-L54 HydrophobicContact CB-CG 3.99Å; D51-L54 PolarHBondContact O-N 3.33Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 3.4Å; L54-V57 WeakPolarHBondContact O-CB 3.39Å; L54-V57 PolarHBondContact O-N 2.84Å; L54-Q58 WeakPolarHBondContact O-CG 3.15Å; L54-Q58 PolarHBondContact O-N 3.37Å
55	L	76.3	Confident	67.9	Low	69 Å²	69	57.5 Å²	57.5	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-35.5	174.8	-67.6	174.2	0	0	0	112	D51 Q58 K59	D51-L55 PolarHBondContact O-N 2.99Å; L55-Q58 PolarHBondContact O-N 3.41Å; L55-K59 WeakPolarHBondContact O-CG 3.47Å; L55-K59 PolarHBondContact O-N 3.13Å
56	Q	72.8	Confident	67.6	Low	21 Å²	21	55.2 Å²	55.2	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-36.5	176.7	-169	59.4	35.3	0	0	112.1	P52 R53 L54 K59 L60 T386	P52-Q56 WeakPolarHBondContact O-CB 3.33Å; P52-Q56 PolarHBondContact O-N 3.27Å; R53-Q56 PolarHBondContact O-N 3.29Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 3.4Å; Q56-K59 PolarHBondContact O-N 3.44Å; Q56-L60 WeakPolarHBondContact O-CB 3.43Å; Q56-L60 PolarHBondContact O-N 2.86Å; Q56-T386 HydrophobicContact CG-CG2 4.23Å; Q56-T386 WeakPolarHBondContact CG-OG1 3.31Å
57	V	72.7	Confident	66.5	Low	8 Å²	8	54.8 Å²	54.8	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-50.4	170.4	171.9	0	0	0	0	110.1	I14 V38 R53 L54 K59 L60 L61 T386 L390	I14-V57 HydrophobicContact CD1-CG1 4.23Å; V38-V57 HydrophobicContact CG2-CG1 4Å; R53-V57 WeakPolarHBondContact O-CG2 3.42Å; R53-V57 PolarHBondContact O-N 3.01Å; L54-V57 WeakPolarHBondContact O-CB 3.39Å; L54-V57 PolarHBondContact O-N 2.84Å; V57-K59 PolarHBondContact O-N 2.95Å; V57-L60 PolarHBondContact O-N 2.89Å; V57-L61 HydrophobicContact CG1-CD1 3.66Å; V57-L61 HydrophobicContact CG1-CG 4.31Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.14Å; V57-T386 HydrophobicContact CB-CG2 4.25Å; V57-T386 HydrophobicContact CG2-CG2 3.6Å; V57-L390 HydrophobicContact CG1-CD1 4.11Å; V57-L390 HydrophobicContact CG1-CD2 4.06Å; V57-L390 HydrophobicContact CG2-CD1 4.27Å
58	Q	76	Confident	65.6	Low	42 Å²	42	55.9 Å²	55.9	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-48.7	177.7	-70.8	172.8	-3.9	0	0	111.8	V38 L54 L55 L60 L61 V62	V38-Q58 HydrophobicContact CB-CG 4.34Å; V38-Q58 HydrophobicContact CG2-CG 3.62Å; L54-Q58 WeakPolarHBondContact O-CG 3.15Å; L54-Q58 PolarHBondContact O-N 3.37Å; L55-Q58 PolarHBondContact O-N 3.41Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 3.46Å; Q58-L61 PolarHBondContact O-N 3.01Å; Q58-V62 WeakPolarHBondContact O-CG2 3.32Å; Q58-V62 PolarHBondContact O-N 3.46Å
59	K	73.7	Confident	64.7	Low	112 Å²	112	50 Å²	50	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-58.8	-44.6	177.4	-75	174	-176.4	176.4	0	112.1	L55 Q56 V57 L61 V62 C63	L55-K59 WeakPolarHBondContact O-CG 3.47Å; L55-K59 PolarHBondContact O-N 3.13Å; Q56-K59 PolarHBondContact O-N 3.44Å; V57-K59 PolarHBondContact O-N 2.95Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 2.88Å; K59-V62 PolarHBondContact O-N 3.03Å; K59-C63 VanDerWaalsContact O-CB 3.32Å; K59-C63 WeakPolarHBondContact O-CB 3.41Å; K59-C63 PolarHBondContact O-N 3.26Å; K59-C63 PolarHBondContact O-SG 2.75Å
60	L	71.8	Confident	64.1	Low	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-42.7	179.2	-175.8	67.2	0	0	0	111.5	Q56 V57 Q58 C63 F66 W70 K383 T386 I387 L390	Q56-L60 WeakPolarHBondContact O-CB 3.43Å; Q56-L60 PolarHBondContact O-N 2.86Å; V57-L60 PolarHBondContact O-N 2.89Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 3.46Å; L60-C63 PolarHBondContact O-N 3.15Å; L60-F66 WeakPolarHBondContact O-CZ 3.4Å; L60-W70 HydrophobicContact CD2-CZ2 4.39Å; L60-K383 HydrophobicContact CD1-CG 4.22Å; L60-T386 HydrophobicContact CD2-CG2 4Å; L60-I387 HydrophobicContact CD1-CD1 4.49Å; L60-I387 HydrophobicContact CD1-CG1 4.21Å; L60-I387 HydrophobicContact CD2-CG1 3.63Å; L60-L390 HydrophobicContact CD2-CD1 3.77Å
61	L	72.5	Confident	63.4	Low	9 Å²	9	42.6 Å²	42.6	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-73.3	-25.6	-178.4	-67.2	175	0	0	0	114.4	I14 V36 V57 Q58 K59 F66 W70	I14-L61 HydrophobicContact CD1-CD1 4.33Å; I14-L61 HydrophobicContact CG2-CD1 3.48Å; I14-L61 VanDerWaalsContact CG2-CD1 3.48Å; V36-L61 HydrophobicContact CB-CB 4.34Å; V36-L61 HydrophobicContact CG1-CB 4.36Å; V36-L61 HydrophobicContact CG1-CD1 3.79Å; V36-L61 HydrophobicContact CG2-CB 3.88Å; V57-L61 HydrophobicContact CG1-CD1 3.66Å; V57-L61 HydrophobicContact CG1-CG 4.31Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.14Å; Q58-L61 PolarHBondContact O-N 3.01Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 2.88Å; L61-F66 VanDerWaalsContact C-CE2 3.48Å; L61-F66 VanDerWaalsContact CA-CE2 3.41Å; L61-F66 HydrophobicContact CB-CE2 4.42Å; L61-F66 HydrophobicContact CD2-CE1 4.16Å; L61-F66 HydrophobicContact CD2-CE2 4.26Å; L61-F66 HydrophobicContact CD2-CZ 3.95Å; L61-F66 WeakPolarHBondContact O-CD2 3.45Å; L61-F66 WeakPolarHBondContact O-CE2 3.45Å; L61-W70 HydrophobicContact CD2-CE3 4.3Å; L61-W70 HydrophobicContact CD2-CH2 3.34Å; L61-W70 HydrophobicContact CD2-CZ2 4.49Å; L61-W70 HydrophobicContact CD2-CZ3 3.25Å; L61-W70 HydrophobicContact CG-CH2 4.41Å
62	V	71.8	Confident	62.7	Low	62 Å²	62	45.9 Å²	45.9	38%	0.376	23%	0.233	S	C	.	.	H	α-helix	trans	-85.1	-28	174	174.7	0	0	0	0	111.5	V36 Q58 K59 G64	V36-V62 HydrophobicContact CB-CG2 4.35Å; V36-V62 HydrophobicContact CG2-CG2 4.18Å; Q58-V62 WeakPolarHBondContact O-CG2 3.32Å; Q58-V62 PolarHBondContact O-N 3.46Å; K59-V62 PolarHBondContact O-N 3.03Å; V62-G64 VanDerWaalsContact C-N 3.29Å; V62-G64 PolarHBondContact O-N 3.38Å
63	C	63.5	Low	62	Low	75 Å²	75	41.8 Å²	41.8	51%	0.507	21%	0.206	S	C	.	.	S	Bend	trans	-76.9	-9.4	-178.9	-74.1	0	0	0	0	114.7	K59 L60	K59-C63 VanDerWaalsContact O-CB 3.32Å; K59-C63 WeakPolarHBondContact O-CB 3.41Å; K59-C63 PolarHBondContact O-N 3.26Å; K59-C63 PolarHBondContact O-SG 2.75Å; L60-C63 PolarHBondContact O-N 3.15Å
64	G	57.3	Low	61.7	Low	2 Å²	2	36.6 Å²	36.6	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	-116.7	147.9	-179.9	0	0	0	0	0	112.7	V62 F66	V62-G64 VanDerWaalsContact C-N 3.29Å; V62-G64 PolarHBondContact O-N 3.38Å; G64-F66 VanDerWaalsContact CA-CE2 3.5Å; G64-F66 WeakPolarHBondContact O-CD2 3.38Å; G64-F66 VanDerWaalsContact O-CE2 3.32Å; G64-F66 WeakPolarHBondContact O-CE2 3.42Å
65	L	48.8	Very low	61.1	Low	16 Å²	16	35.8 Å²	35.8	8%	0.084	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-66.7	151.6	147.2	-123.2	96.9	0	0	0	107.6	I22 R32 L67 I93 G95 V97	I22-L65 HydrophobicContact CD1-CD1 3.68Å; I22-L65 HydrophobicContact CD1-CD2 3.74Å; I22-L65 HydrophobicContact CD1-CG 4.08Å; R32-L65 HydrophobicContact CB-CD1 3.79Å; R32-L65 HydrophobicContact CB-CG 4.46Å; R32-L65 HydrophobicContact CG-CD1 3.63Å; R32-L65 HydrophobicContact CG-CG 4.42Å; L65-L67 HydrophobicContact CD2-CD1 4.29Å; L65-I93 CarbonylContact C-O 3.58Å; L65-I93 HydrophobicContact CD2-CD1 4.48Å; L65-I93 CarbonylContact O-C 3.57Å; L65-G95 VanDerWaalsContact CB-O 3.24Å; L65-G95 WeakPolarHBondContact CB-O 3.46Å; L65-G95 PolarHBondContact O-N 2.95Å; L65-V97 HydrophobicContact CD2-CB 3.52Å; L65-V97 HydrophobicContact CD2-CG2 3.43Å; L65-V97 VanDerWaalsContact CD2-CG2 3.43Å
66	F	51.8	Low	60.4	Low	11 Å²	11	33.4 Å²	33.4	5%	0.048	17%	0.174	C	C	.	.			trans	-145.9	90.1	-175.6	-69.1	-77.9	0	0	0	107.8	I33 L60 L61 G64 W70 C92 I93	I33-F66 HydrophobicContact CD1-CB 3.72Å; I33-F66 HydrophobicContact CD1-CD2 3.95Å; I33-F66 HydrophobicContact CD1-CG 4.22Å; L60-F66 WeakPolarHBondContact O-CZ 3.4Å; L61-F66 VanDerWaalsContact C-CE2 3.48Å; L61-F66 VanDerWaalsContact CA-CE2 3.41Å; L61-F66 HydrophobicContact CB-CE2 4.42Å; L61-F66 HydrophobicContact CD2-CE1 4.16Å; L61-F66 HydrophobicContact CD2-CE2 4.26Å; L61-F66 HydrophobicContact CD2-CZ 3.95Å; L61-F66 WeakPolarHBondContact O-CD2 3.45Å; L61-F66 WeakPolarHBondContact O-CE2 3.45Å; G64-F66 VanDerWaalsContact CA-CE2 3.5Å; G64-F66 WeakPolarHBondContact O-CD2 3.38Å; G64-F66 VanDerWaalsContact O-CE2 3.32Å; G64-F66 WeakPolarHBondContact O-CE2 3.42Å; F66-W70 HydrophobicContact CD1-CD2 4.16Å; F66-W70 HydrophobicContact CD1-CE3 4.04Å; F66-W70 AromaticContact CE1-CD2 3.95Å; F66-W70 HydrophobicContact CE1-CD2 3.95Å; F66-W70 AromaticContact CE1-CE3 4Å; F66-W70 HydrophobicContact CE1-CE3 4Å; F66-W70 HydrophobicContact CE1-CH2 4.22Å; F66-W70 HydrophobicContact CE1-CZ2 4.19Å; F66-W70 HydrophobicContact CE1-CZ3 4.17Å; F66-C92 HydrophobicContact CB-CB 3.57Å; F66-C92 VanDerWaalsContact O-CA 3.25Å; F66-C92 WeakPolarHBondContact O-CA 3.24Å; F66-C92 PolarHBondContact O-SG 3.39Å; F66-I93 WeakPolarHBondContact CA-O 3.33Å; F66-I93 PolarHBondContact N-O 2.99Å
67	L	36.7	Very low	60.1	Low	66 Å²	66	34.7 Å²	34.7	35%	0.346	18%	0.18	S	C	.	.			trans	-125.3	56.1	155.8	-55.3	171.6	0	0	0	128.3	L65 P91 C92 I93 V97	L65-L67 HydrophobicContact CD2-CD1 4.29Å; L67-P91 WeakPolarHBondContact CA-O 3.29Å; L67-C92 VanDerWaalsContact CA-C 3.47Å; L67-I93 HydrophobicContact CB-CB 4.23Å; L67-I93 HydrophobicContact CB-CD1 4.4Å; L67-I93 HydrophobicContact CB-CG1 3.88Å; L67-I93 HydrophobicContact CB-CG2 3.85Å; L67-I93 VanDerWaalsContact N-CA 3.25Å; L67-I93 PolarHBondContact N-O 3.06Å; L67-I93 WeakPolarHBondContact O-CG2 3.44Å; L67-V97 HydrophobicContact CD1-CG2 4.47Å
68	F	42.1	Very low	60	Low	41 Å²	41	36.5 Å²	36.5	18%	0.18	19%	0.189	C	C	.	.	S	Bend	trans	-174.3	152.9	179	68.1	-123.9	0	0	0	106.2	W70 C92 I93 G94 R116 I117	F68-W70 VanDerWaalsContact C-N 3.25Å; F68-W70 HydrophobicContact CE2-CB 4.2Å; F68-W70 PolarHBondContact O-N 3.4Å; F68-C92 CarbonylContact O-C 3.54Å; F68-C92 WeakPolarHBondContact O-CA 3.48Å; F68-C92 PolarHBondContact O-N 3.33Å; F68-I93 HydrophobicContact CB-CB 4.48Å; F68-I93 HydrophobicContact CB-CG2 3.66Å; F68-I93 VanDerWaalsContact CD1-CA 3.41Å; F68-I93 HydrophobicContact CD1-CB 3.37Å; F68-I93 HydrophobicContact CD1-CG2 2.98Å; F68-I93 HydrophobicContact CE1-CB 3.43Å; F68-I93 VanDerWaalsContact CE1-CB 3.43Å; F68-I93 HydrophobicContact CE1-CG2 3.59Å; F68-I93 HydrophobicContact CG-CB 3.98Å; F68-I93 HydrophobicContact CG-CG2 3.56Å; F68-I93 HydrophobicContact CZ-CB 4.18Å; F68-I93 PolarHBondContact O-N 2.78Å; F68-I93 VanDerWaalsContact O-N 3.17Å; F68-G94 VanDerWaalsContact CZ-N 3.34Å; F68-R116 HydrophobicContact CD1-CB 4.1Å; F68-R116 HydrophobicContact CD1-CG 4.39Å; F68-R116 HydrophobicContact CE1-CB 3.86Å; F68-I117 WeakPolarHBondContact CZ-O 3.34Å
69	G	48.1	Very low	59.6	Low	23 Å²	23	39.4 Å²	39.4	24%	0.237	20%	0.203	C	C	.	.	S	Bend	trans	-56.3	40.4	-165.7	0	0	0	0	0	121.9	N71 R72	G69-N71 PolarHBondContact O-N 2.67Å; G69-R72 WeakPolarHBondContact O-CB 3.32Å; G69-R72 PolarHBondContact O-N 3.05Å
70	W	53.5	Low	59.2	Low	18 Å²	18	35.6 Å²	35.6	7%	0.068	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-34.5	168.3	-172.7	89.6	0	0	0	111.5	L60 L61 F66 F68 R72 C92 L390	L60-W70 HydrophobicContact CD2-CZ2 4.39Å; L61-W70 HydrophobicContact CD2-CE3 4.3Å; L61-W70 HydrophobicContact CD2-CH2 3.34Å; L61-W70 HydrophobicContact CD2-CZ2 4.49Å; L61-W70 HydrophobicContact CD2-CZ3 3.25Å; L61-W70 HydrophobicContact CG-CH2 4.41Å; F66-W70 HydrophobicContact CD1-CD2 4.16Å; F66-W70 HydrophobicContact CD1-CE3 4.04Å; F66-W70 AromaticContact CE1-CD2 3.95Å; F66-W70 HydrophobicContact CE1-CD2 3.95Å; F66-W70 AromaticContact CE1-CE3 4Å; F66-W70 HydrophobicContact CE1-CE3 4Å; F66-W70 HydrophobicContact CE1-CH2 4.22Å; F66-W70 HydrophobicContact CE1-CZ2 4.19Å; F66-W70 HydrophobicContact CE1-CZ3 4.17Å; F68-W70 VanDerWaalsContact C-N 3.25Å; F68-W70 HydrophobicContact CE2-CB 4.2Å; F68-W70 PolarHBondContact O-N 3.4Å; W70-R72 VanDerWaalsContact C-N 3.35Å; W70-C92 WeakPolarHBondContact CB-O 3.38Å; W70-L390 HydrophobicContact CH2-CB 3.8Å; W70-L390 HydrophobicContact CH2-CD1 3.4Å; W70-L390 HydrophobicContact CH2-CD2 4.17Å; W70-L390 HydrophobicContact CH2-CG 3.95Å; W70-L390 HydrophobicContact CZ2-CB 3.85Å; W70-L390 HydrophobicContact CZ2-CD1 3.82Å; W70-L390 HydrophobicContact CZ2-CG 4.37Å
71	N	55.2	Low	59	Low	18 Å²	18	38.4 Å²	38.4	10%	0.096	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.9	170.9	69.8	-33.4	0	0	0	113.2	G69 E73 L74 T90 C92	G69-N71 PolarHBondContact O-N 2.67Å; N71-E73 PolarHBondContact O-N 3.01Å; N71-L74 HydrophobicContact CB-CD1 3.89Å; N71-L74 HydrophobicContact CB-CG 4.23Å; N71-L74 VanDerWaalsContact O-CB 3.27Å; N71-L74 WeakPolarHBondContact O-CB 3.36Å; N71-L74 PolarHBondContact O-N 3.35Å; N71-T90 PolarHBondContact ND2-O 3.06Å; N71-C92 HydrophobicContact CB-CB 4.27Å; N71-C92 WeakPolarHBondContact OD1-CB 3.31Å; N71-C92 PolarHBondContact OD1-N 2.81Å
72	R	56.4	Low	58.7	Low	92 Å²	92	40.8 Å²	40.8	35%	0.347	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.7	-37.7	177.4	-176.7	-179.2	-179.9	-174.9	-1.7	110.3	G69 W70 L74 G75	G69-R72 WeakPolarHBondContact O-CB 3.32Å; G69-R72 PolarHBondContact O-N 3.05Å; W70-R72 VanDerWaalsContact C-N 3.35Å; R72-L74 PolarHBondContact O-N 2.97Å; R72-L74 VanDerWaalsContact O-N 3.17Å; R72-G75 WeakPolarHBondContact O-CA 3.47Å; R72-G75 PolarHBondContact O-N 3.23Å
73	E	57.5	Low	58.7	Low	16 Å²	16	40.4 Å²	40.4	8%	0.075	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.9	-32.2	176.1	-56.2	-40.6	105.7	0	0	112.5	N71 G75 C76 N393 F429	N71-E73 PolarHBondContact O-N 3.01Å; E73-G75 PolarHBondContact O-N 3.32Å; E73-C76 PolarHBondContact O-N 3.14Å; E73-C76 PolarHBondContact O-SG 3.01Å; E73-N393 HydrophobicContact CB-CB 3.74Å; E73-N393 PolarHBondContact O-ND2 2.86Å; E73-F429 WeakPolarHBondContact OE1-CE2 2.97Å; E73-F429 WeakPolarHBondContact OE1-CZ 3.13Å; E73-F429 WeakPolarHBondContact OE2-CD2 3.41Å; E73-F429 WeakPolarHBondContact OE2-CE2 3.24Å
74	L	62.6	Low	59.1	Low	46 Å²	46	41 Å²	41	24%	0.241	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-69.9	-17.7	177.8	-52.4	-177.9	0	0	0	112.3	I14 N71 R72	I14-L74 HydrophobicContact CB-CD1 4.31Å; I14-L74 HydrophobicContact CD1-CD1 3.9Å; I14-L74 HydrophobicContact CD1-CD2 4.2Å; N71-L74 HydrophobicContact CB-CD1 3.89Å; N71-L74 HydrophobicContact CB-CG 4.23Å; N71-L74 VanDerWaalsContact O-CB 3.27Å; N71-L74 WeakPolarHBondContact O-CB 3.36Å; N71-L74 PolarHBondContact O-N 3.35Å; R72-L74 PolarHBondContact O-N 2.97Å; R72-L74 VanDerWaalsContact O-N 3.17Å
75	G	63.1	Low	59.7	Low	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-82.7	-20.4	-179.8	0	0	0	0	0	114.8	R72 E73 H77 L78 E79 L89	R72-G75 WeakPolarHBondContact O-CA 3.47Å; R72-G75 PolarHBondContact O-N 3.23Å; E73-G75 PolarHBondContact O-N 3.32Å; G75-H77 PolarHBondContact O-N 3.4Å; G75-H77 VanDerWaalsContact O-N 3.09Å; G75-L78 WeakPolarHBondContact O-CB 3.33Å; G75-L78 PolarHBondContact O-N 3.41Å; G75-E79 PolarHBondContact O-N 3.36Å; G75-L89 VanDerWaalsContact N-CD1 3.28Å
76	C	62	Low	60.7	Low	19 Å²	19	43.2 Å²	43.2	13%	0.128	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-32.9	-175.5	72.1	0	0	0	0	112	E73 R80	E73-C76 PolarHBondContact O-N 3.14Å; E73-C76 PolarHBondContact O-SG 3.01Å; C76-R80 VanDerWaalsContact O-CB 3.29Å; C76-R80 WeakPolarHBondContact O-CB 3.41Å; C76-R80 PolarHBondContact O-N 3.44Å
77	H	66.5	Low	62.1	Low	48 Å²	48	49.6 Å²	49.6	22%	0.222	27%	0.273	C	S	.	.	H	α-helix	trans	-70.5	-35.4	175.8	-61.6	-71.8	0	0	0	113	G75 F81 E395	G75-H77 PolarHBondContact O-N 3.4Å; G75-H77 VanDerWaalsContact O-N 3.09Å; H77-F81 WeakPolarHBondContact O-CD2 3.44Å; H77-E395 IonicContact CE1-OE1 3.41Å; H77-E395 PolarHBondContact CE1-OE1 3.37Å; H77-E395 IonicContact ND1-OE1 2.71Å
78	L	69.8	Low	64	Low	46 Å²	46	55.1 Å²	55.1	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-47.8	175.8	-67.9	178.3	0	0	0	110.7	G75 R80 F81 I83 A85 W88 L89	G75-L78 WeakPolarHBondContact O-CB 3.33Å; G75-L78 PolarHBondContact O-N 3.41Å; L78-R80 PolarHBondContact O-N 3.4Å; L78-F81 PolarHBondContact O-N 2.87Å; L78-I83 CarbonylContact C-O 3.57Å; L78-I83 HydrophobicContact CB-CB 4.13Å; L78-I83 HydrophobicContact CB-CG2 4.31Å; L78-I83 HydrophobicContact CD2-CD1 4.07Å; L78-I83 HydrophobicContact CD2-CG2 4.35Å; L78-I83 WeakPolarHBondContact O-CB 3.22Å; L78-I83 PolarHBondContact O-N 3.5Å; L78-A85 HydrophobicContact CB-CB 4.17Å; L78-A85 HydrophobicContact CD1-CB 4.42Å; L78-W88 HydrophobicContact CD1-CB 3.66Å; L78-W88 HydrophobicContact CD1-CG 4.18Å; L78-L89 HydrophobicContact CD1-CG 4.24Å
79	E	66.6	Low	65.5	Low	104 Å²	104	55.3 Å²	55.3	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-58.5	-38.5	178.3	-66.4	175.1	169.2	0	0	111	G75 F81 G82 I83 A85	G75-E79 PolarHBondContact O-N 3.36Å; E79-F81 PolarHBondContact O-N 2.85Å; E79-G82 PolarHBondContact O-N 3.29Å; E79-I83 WeakPolarHBondContact CA-O 3.5Å; E79-I83 PolarHBondContact N-O 3.12Å; E79-A85 HydrophobicContact CG-CB 3.59Å
80	R	65.4	Low	66.7	Low	31 Å²	31	59.1 Å²	59.1	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-53.4	-35.3	172.5	-179.2	-180	176.7	179.5	-2.4	112.9	C76 L78 G82 E395 A433 L788 D789	C76-R80 VanDerWaalsContact O-CB 3.29Å; C76-R80 WeakPolarHBondContact O-CB 3.41Å; C76-R80 PolarHBondContact O-N 3.44Å; L78-R80 PolarHBondContact O-N 3.4Å; R80-G82 VanDerWaalsContact C-N 3.32Å; R80-E395 IonicContact NH1-OE2 3.5Å; R80-A433 HydrophobicContact CB-CB 4.36Å; R80-L788 HydrophobicContact CG-CB 4.07Å; R80-L788 WeakPolarHBondContact CG-O 3.4Å; R80-L788 PolarHBondContact NE-O 2.86Å; R80-L788 CarbonylContact O-C 3.46Å; R80-L788 WeakPolarHBondContact O-CB 3.17Å; R80-D789 VanDerWaalsContact O-CA 3.24Å; R80-D789 WeakPolarHBondContact O-CA 3.19Å; R80-D789 WeakPolarHBondContact O-CB 3.41Å; R80-D789 PolarHBondContact O-N 3.46Å
81	F	68.4	Low	67.5	Low	64 Å²	64	62.1 Å²	62.1	28%	0.281	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	17.9	179.1	-71.9	-72.3	0	0	0	113.7	H77 L78 E79 I83 D789 V833 R861	H77-F81 WeakPolarHBondContact O-CD2 3.44Å; L78-F81 PolarHBondContact O-N 2.87Å; E79-F81 PolarHBondContact O-N 2.85Å; F81-I83 HydrophobicContact CB-CD1 4.16Å; F81-I83 HydrophobicContact CB-CG1 4.23Å; F81-I83 PolarHBondContact O-N 3.48Å; F81-D789 HydrophobicContact CD1-CB 3.85Å; F81-D789 HydrophobicContact CE1-CB 4.45Å; F81-D789 WeakPolarHBondContact CE1-O 3.41Å; F81-V833 HydrophobicContact CE1-CG1 3.9Å; F81-V833 HydrophobicContact CZ-CG1 4.45Å; F81-R861 VanDerWaalsContact O-CZ 3.27Å; F81-R861 PolarHBondContact O-NH1 3.48Å; F81-R861 PolarHBondContact O-NH2 2.75Å
82	G	65.2	Low	68.2	Low	58 Å²	58	62 Å²	62	60%	0.598	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	17.4	-176.4	0	0	0	0	0	113	E79 R80	E79-G82 PolarHBondContact O-N 3.29Å; R80-G82 VanDerWaalsContact C-N 3.32Å
83	I	73	Confident	69.1	Low	54 Å²	54	57.8 Å²	57.8	28%	0.277	32%	0.318	S	S	.	.			trans	-88	121.6	175.7	-57.5	171.1	0	0	0	106.4	L78 E79 F81 A85 W88	L78-I83 CarbonylContact C-O 3.57Å; L78-I83 HydrophobicContact CB-CB 4.13Å; L78-I83 HydrophobicContact CB-CG2 4.31Å; L78-I83 HydrophobicContact CD2-CD1 4.07Å; L78-I83 HydrophobicContact CD2-CG2 4.35Å; L78-I83 WeakPolarHBondContact O-CB 3.22Å; L78-I83 PolarHBondContact O-N 3.5Å; E79-I83 WeakPolarHBondContact CA-O 3.5Å; E79-I83 PolarHBondContact N-O 3.12Å; F81-I83 HydrophobicContact CB-CD1 4.16Å; F81-I83 HydrophobicContact CB-CG1 4.23Å; F81-I83 PolarHBondContact O-N 3.48Å; I83-A85 PolarHBondContact O-N 2.81Å; I83-W88 VanDerWaalsContact CG2-CD1 3.41Å; I83-W88 HydrophobicContact CG2-CG 4.33Å; I83-W88 VanDerWaalsContact CG2-NE1 3.34Å
84	N	71.5	Confident	69.9	Low	88 Å²	88	57.1 Å²	57.1	47%	0.471	32%	0.315	S	S	.	.			trans	-61.1	100.6	175.2	-179.7	-0.8	0	0	0	109.3	G86 E87	N84-G86 PolarHBondContact O-N 3.35Å; N84-G86 VanDerWaalsContact O-N 3.13Å; N84-G86 PolarHBondContact OD1-N 2.79Å; N84-G86 VanDerWaalsContact OD1-N 3.07Å; N84-E87 HydrophobicContact CB-CG 4.12Å; N84-E87 PolarHBondContact ND2-OE1 2.82Å; N84-E87 WeakPolarHBondContact O-CB 3.48Å; N84-E87 PolarHBondContact O-N 2.83Å
85	A	70.4	Confident	70.8	Confident	5 Å²	5	55 Å²	55	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-26.6	-178.3	0	0	0	0	0	111.9	L78 E79 I83 E87 W88 L89	L78-A85 HydrophobicContact CB-CB 4.17Å; L78-A85 HydrophobicContact CD1-CB 4.42Å; E79-A85 HydrophobicContact CG-CB 3.59Å; I83-A85 PolarHBondContact O-N 2.81Å; A85-E87 PolarHBondContact O-N 2.86Å; A85-W88 PolarHBondContact O-N 2.84Å; A85-L89 HydrophobicContact CB-CD1 4.22Å; A85-L89 HydrophobicContact CB-CG 4.46Å; A85-L89 WeakPolarHBondContact O-CA 3.48Å; A85-L89 VanDerWaalsContact O-CB 3.31Å; A85-L89 WeakPolarHBondContact O-CB 3.38Å; A85-L89 PolarHBondContact O-N 3.15Å
86	G	69.7	Low	71.9	Confident	59 Å²	59	55.2 Å²	55.2	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-63.1	-20.9	175	0	0	0	0	0	114.4	N84	N84-G86 PolarHBondContact O-N 3.35Å; N84-G86 VanDerWaalsContact O-N 3.13Å; N84-G86 PolarHBondContact OD1-N 2.79Å; N84-G86 VanDerWaalsContact OD1-N 3.07Å
87	E	79.8	Confident	73.2	Confident	146 Å²	146	54.5 Å²	54.5	68%	0.682	30%	0.301	S	S	*	.	H	α-helix	trans	-81.2	-22.1	174.1	-71.8	169.9	-157.3	0	0	112.9	N84 A85	N84-E87 HydrophobicContact CB-CG 4.12Å; N84-E87 PolarHBondContact ND2-OE1 2.82Å; N84-E87 WeakPolarHBondContact O-CB 3.48Å; N84-E87 PolarHBondContact O-N 2.83Å; A85-E87 PolarHBondContact O-N 2.86Å
88	W	77.8	Confident	74.4	Confident	181 Å²	181	53.7 Å²	53.7	69%	0.686	30%	0.297	S	S	*	.	H	α-helix	trans	-112.8	-29.5	-173.2	-67.1	83.7	0	0	0	113.3	L78 I83 A85	L78-W88 HydrophobicContact CD1-CB 3.66Å; L78-W88 HydrophobicContact CD1-CG 4.18Å; I83-W88 VanDerWaalsContact CG2-CD1 3.41Å; I83-W88 HydrophobicContact CG2-CG 4.33Å; I83-W88 VanDerWaalsContact CG2-NE1 3.34Å; A85-W88 PolarHBondContact O-N 2.84Å
89	L	73	Confident	75.4	Confident	46 Å²	46	52 Å²	52	24%	0.241	29%	0.289	C	S	.	.			trans	-105.3	126.1	-178	-63.7	-171.9	0	0	0	110.9	G75 L78 A85	G75-L89 VanDerWaalsContact N-CD1 3.28Å; L78-L89 HydrophobicContact CD1-CG 4.24Å; A85-L89 HydrophobicContact CB-CD1 4.22Å; A85-L89 HydrophobicContact CB-CG 4.46Å; A85-L89 WeakPolarHBondContact O-CA 3.48Å; A85-L89 VanDerWaalsContact O-CB 3.31Å; A85-L89 WeakPolarHBondContact O-CB 3.38Å; A85-L89 PolarHBondContact O-N 3.15Å
90	T	73.5	Confident	76.8	Confident	103 Å²	103	51 Å²	51	63%	0.632	28%	0.283	S	S	*	.			trans	-91.1	125.1	168.4	-57.2	0	0	0	0	109.1	N71 C92	N71-T90 PolarHBondContact ND2-O 3.06Å; T90-C92 PolarHBondContact O-SG 2.78Å
91	P	69.6	Low	78.2	Confident	81 Å²	81	52.4 Å²	52.4	53%	0.526	30%	0.295	S	S	.	.			trans	-60	148.1	-179.7	-26.7	35.3	0	0	0	115.1	L67	L67-P91 WeakPolarHBondContact CA-O 3.29Å
92	C	71.7	Confident	79.4	Confident	15 Å²	15	49.7 Å²	49.7	10%	0.101	28%	0.283	C	S	.	.			trans	-145.1	86.6	-163.3	-87.3	0	0	0	0	123.1	F66 L67 F68 W70 N71 T90	F66-C92 HydrophobicContact CB-CB 3.57Å; F66-C92 VanDerWaalsContact O-CA 3.25Å; F66-C92 WeakPolarHBondContact O-CA 3.24Å; F66-C92 PolarHBondContact O-SG 3.39Å; L67-C92 VanDerWaalsContact CA-C 3.47Å; F68-C92 CarbonylContact O-C 3.54Å; F68-C92 WeakPolarHBondContact O-CA 3.48Å; F68-C92 PolarHBondContact O-N 3.33Å; W70-C92 WeakPolarHBondContact CB-O 3.38Å; N71-C92 HydrophobicContact CB-CB 4.27Å; N71-C92 WeakPolarHBondContact OD1-CB 3.31Å; N71-C92 PolarHBondContact OD1-N 2.81Å; T90-C92 PolarHBondContact O-SG 2.78Å
93	I	74.5	Confident	80.7	Confident	4 Å²	4	54 Å²	54	2%	0.021	28%	0.283	C	S	.	.			trans	-50	116.7	172.8	74.5	173.4	0	0	0	112.5	L65 F66 L67 F68 G95 V97 I114 R116	L65-I93 CarbonylContact C-O 3.58Å; L65-I93 HydrophobicContact CD2-CD1 4.48Å; L65-I93 CarbonylContact O-C 3.57Å; F66-I93 WeakPolarHBondContact CA-O 3.33Å; F66-I93 PolarHBondContact N-O 2.99Å; L67-I93 HydrophobicContact CB-CB 4.23Å; L67-I93 HydrophobicContact CB-CD1 4.4Å; L67-I93 HydrophobicContact CB-CG1 3.88Å; L67-I93 HydrophobicContact CB-CG2 3.85Å; L67-I93 VanDerWaalsContact N-CA 3.25Å; L67-I93 PolarHBondContact N-O 3.06Å; L67-I93 WeakPolarHBondContact O-CG2 3.44Å; F68-I93 HydrophobicContact CB-CB 4.48Å; F68-I93 HydrophobicContact CB-CG2 3.66Å; F68-I93 VanDerWaalsContact CD1-CA 3.41Å; F68-I93 HydrophobicContact CD1-CB 3.37Å; F68-I93 HydrophobicContact CD1-CG2 2.98Å; F68-I93 HydrophobicContact CE1-CB 3.43Å; F68-I93 VanDerWaalsContact CE1-CB 3.43Å; F68-I93 HydrophobicContact CE1-CG2 3.59Å; F68-I93 HydrophobicContact CG-CB 3.98Å; F68-I93 HydrophobicContact CG-CG2 3.56Å; F68-I93 HydrophobicContact CZ-CB 4.18Å; F68-I93 PolarHBondContact O-N 2.78Å; F68-I93 VanDerWaalsContact O-N 3.17Å; I93-G95 PolarHBondContact O-N 2.72Å; I93-G95 VanDerWaalsContact O-N 3.11Å; I93-V97 HydrophobicContact CD1-CG2 3.95Å; I93-I114 HydrophobicContact CD1-CG2 4.38Å; I93-R116 HydrophobicContact CD1-CG 4.12Å; I93-R116 HydrophobicContact CG2-CG 4.07Å
94	G	74.3	Confident	81.6	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-61.6	119.5	152.9	0	0	0	0	0	109	F68 I117	F68-G94 VanDerWaalsContact CZ-N 3.34Å; G94-I117 WeakPolarHBondContact O-CB 3.44Å; G94-I117 PolarHBondContact O-N 3.02Å
95	G	80.6	Confident	82.4	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-157.9	-174.3	0	0	0	0	0	118.4	L65 I93 S115	L65-G95 VanDerWaalsContact CB-O 3.24Å; L65-G95 WeakPolarHBondContact CB-O 3.46Å; L65-G95 PolarHBondContact O-N 2.95Å; I93-G95 PolarHBondContact O-N 2.72Å; I93-G95 VanDerWaalsContact O-N 3.11Å; G95-S115 CarbonylContact C-O 3.2Å; G95-S115 WeakPolarHBondContact CA-O 3.18Å
96	V	86	Confident	83.3	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137	178.8	-168.2	0	0	0	0	109.3	E98 I114 S115 Q346	V96-E98 HydrophobicContact CG1-CG 4.39Å; V96-I114 CarbonylContact O-C 3.6Å; V96-I114 WeakPolarHBondContact O-CA 3.35Å; V96-S115 PolarHBondContact N-O 3.06Å; V96-S115 PolarHBondContact O-N 3.13Å; V96-Q346 HydrophobicContact CB-CB 4.41Å; V96-Q346 HydrophobicContact CG1-CB 4.03Å; V96-Q346 HydrophobicContact CG1-CG 4.23Å; V96-Q346 HydrophobicContact CG2-CB 3.48Å; V96-Q346 VanDerWaalsContact CG2-CB 3.48Å
97	V	89.6	Confident	84.4	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.024	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.7	168.8	176.7	0	0	0	0	107.9	I22 L25 A30 L65 L67 I93 V99 L113 I114	I22-V97 HydrophobicContact CD1-CB 4.21Å; I22-V97 HydrophobicContact CG2-CG1 4.46Å; I22-V97 WeakPolarHBondContact CG2-O 3.47Å; L25-V97 HydrophobicContact CD1-CG1 4.37Å; A30-V97 HydrophobicContact CB-CG1 4.34Å; L65-V97 HydrophobicContact CD2-CB 3.52Å; L65-V97 HydrophobicContact CD2-CG2 3.43Å; L65-V97 VanDerWaalsContact CD2-CG2 3.43Å; L67-V97 HydrophobicContact CD1-CG2 4.47Å; I93-V97 HydrophobicContact CD1-CG2 3.95Å; V97-V99 HydrophobicContact CG1-CG2 3.91Å; V97-L113 WeakPolarHBondContact CA-O 3.31Å; V97-I114 HydrophobicContact CG1-CG1 4.38Å; V97-I114 HydrophobicContact CG2-CG1 4.34Å; V97-I114 HydrophobicContact CG2-CG2 4Å
98	E	91.5	Very high	85	Confident	30 Å²	30	55.5 Å²	55.5	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.5	171.5	-71.4	-66.8	149.3	0	0	108.6	V96 K100 C112 L113 C339 Q342	V96-E98 HydrophobicContact CG1-CG 4.39Å; E98-K100 IonicContact OE2-NZ 3.61Å; E98-C112 CarbonylContact O-C 3.59Å; E98-C112 VanDerWaalsContact O-CA 3.23Å; E98-C112 WeakPolarHBondContact O-CA 3.45Å; E98-L113 HydrophobicContact CB-CB 4.47Å; E98-L113 PolarHBondContact N-O 3.07Å; E98-L113 PolarHBondContact O-N 3.3Å; E98-C339 HydrophobicContact CB-CB 4.02Å; E98-C339 HydrophobicContact CG-CB 4.44Å; E98-Q342 HydrophobicContact CG-CB 4.16Å
99	V	92.5	Very high	85.8	Confident	12 Å²	12	46.9 Å²	46.9	7%	0.073	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128	176.7	-175.8	0	0	0	0	108.8	I22 L25 V97	I22-V99 HydrophobicContact CG2-CG2 4.43Å; L25-V99 HydrophobicContact CD2-CG2 3.54Å; L25-V99 HydrophobicContact CG-CG2 4.11Å; V97-V99 HydrophobicContact CG1-CG2 3.91Å
100	K	94.6	Very high	86.9	Confident	82 Å²	82	46.8 Å²	46.8	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.9	177	-58.4	-64.2	175.8	-161.5	0	109.9	E98 K110 A111 V335	E98-K100 IonicContact OE2-NZ 3.61Å; K100-K110 WeakPolarHBondContact O-CA 3.43Å; K100-A111 PolarHBondContact N-O 3.23Å; K100-A111 PolarHBondContact O-N 2.87Å; K100-V335 HydrophobicContact CB-CG1 3.51Å; K100-V335 HydrophobicContact CB-CG2 4.46Å; K100-V335 HydrophobicContact CG-CG1 3.8Å
101	T	94.2	Very high	87.9	Confident	61 Å²	61	41.9 Å²	41.9	37%	0.374	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.8	177	-56.2	0	0	0	0	109.6	T108 A109 K110	T101-T108 HydrophobicContact CG2-CG2 4.13Å; T101-A109 CarbonylContact C-O 3.53Å; T101-A109 WeakPolarHBondContact CA-O 3.4Å; T101-K110 HydrophobicContact CG2-CD 4.28Å; T101-K110 WeakPolarHBondContact OG1-CD 3.43Å; T101-K110 PolarHBondContact OG1-NZ 3.43Å
102	I	94.3	Very high	89.2	Confident	6 Å²	6	38 Å²	38	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.8	179.1	-60.7	171.6	0	0	0	108.8	V104 T108 A109 A111 R331 F332 V335	I102-V104 HydrophobicContact CG2-CG2 4.46Å; I102-T108 CarbonylContact O-C 3.57Å; I102-T108 WeakPolarHBondContact O-CA 3.36Å; I102-A109 PolarHBondContact N-O 3.19Å; I102-A109 PolarHBondContact O-N 3.41Å; I102-A111 HydrophobicContact CD1-CB 3.85Å; I102-R331 HydrophobicContact CG2-CB 4.23Å; I102-F332 HydrophobicContact CB-CZ 4.45Å; I102-F332 HydrophobicContact CD1-CB 4.26Å; I102-F332 HydrophobicContact CD1-CD1 3.33Å; I102-F332 HydrophobicContact CD1-CD2 4.13Å; I102-F332 HydrophobicContact CD1-CE1 3.61Å; I102-F332 HydrophobicContact CD1-CE2 4.36Å; I102-F332 HydrophobicContact CD1-CG 3.62Å; I102-F332 HydrophobicContact CD1-CZ 4.13Å; I102-F332 HydrophobicContact CG2-CD2 4.26Å; I102-F332 HydrophobicContact CG2-CE2 4.05Å; I102-F332 HydrophobicContact CG2-CZ 4.39Å; I102-V335 HydrophobicContact CD1-CB 3.98Å; I102-V335 HydrophobicContact CD1-CG1 4.04Å; I102-V335 HydrophobicContact CD1-CG2 3.95Å; I102-V335 HydrophobicContact CG1-CG2 4.01Å
103	Y	93.4	Very high	90.3	Very high	150 Å²	150	37.5 Å²	37.5	59%	0.588	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.9	176.7	-65.1	-88.4	0	0	0	111	T108	Y103-T108 HydrophobicContact CD1-CG2 3.74Å; Y103-T108 HydrophobicContact CE1-CG2 3.74Å
104	V	91.9	Very high	91.2	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	82.8	179	-176.4	0	0	0	0	107.6	I102 V106 L107 A109 F149 V322 I328 F332	I102-V104 HydrophobicContact CG2-CG2 4.46Å; V104-V106 PolarHBondContact O-N 2.98Å; V104-L107 CarbonylContact C-O 3.55Å; V104-L107 PolarHBondContact N-O 3.27Å; V104-L107 PolarHBondContact O-N 2.74Å; V104-L107 VanDerWaalsContact O-N 3.15Å; V104-A109 HydrophobicContact CG2-CB 4.27Å; V104-F149 HydrophobicContact CB-CE2 3.74Å; V104-F149 HydrophobicContact CB-CZ 4.06Å; V104-F149 HydrophobicContact CG1-CE2 3.95Å; V104-F149 HydrophobicContact CG1-CZ 3.72Å; V104-F149 HydrophobicContact CG2-CE2 4.04Å; V104-V322 HydrophobicContact CG1-CG1 3.75Å; V104-I328 HydrophobicContact CB-CD1 4.45Å; V104-I328 HydrophobicContact CG1-CD1 3.82Å; V104-I328 HydrophobicContact CG1-CG2 4.36Å; V104-I328 HydrophobicContact CG2-CG2 3.93Å; V104-F332 HydrophobicContact CG2-CE2 4.12Å; V104-F332 HydrophobicContact CG2-CZ 4.48Å
105	G	87.3	Confident	92	Very high	68 Å²	68	38.1 Å²	38.1	70%	0.701	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-123.1	-169.5	0	0	0	0	0	110.9
106	V	89.4	Confident	92.3	Very high	148 Å²	148	39.7 Å²	39.7	90%	0.897	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.4	176.4	-61.5	0	0	0	0	113.5	V104	V104-V106 PolarHBondContact O-N 2.98Å
107	L	92.9	Very high	92.1	Very high	93 Å²	93	40.2 Å²	40.2	49%	0.487	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	160.6	-179.6	-60	179.2	0	0	0	110.9	V104 F149	V104-L107 CarbonylContact C-O 3.55Å; V104-L107 PolarHBondContact N-O 3.27Å; V104-L107 PolarHBondContact O-N 2.74Å; V104-L107 VanDerWaalsContact O-N 3.15Å; L107-F149 HydrophobicContact CB-CE2 3.72Å; L107-F149 HydrophobicContact CB-CZ 4.29Å; L107-F149 HydrophobicContact CD1-CE2 4.05Å; L107-F149 HydrophobicContact CD1-CZ 3.88Å
108	T	92.9	Very high	91.6	Very high	65 Å²	65	40.9 Å²	40.9	40%	0.399	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.7	172.9	60.4	0	0	0	0	110.7	T101 I102 Y103	T101-T108 HydrophobicContact CG2-CG2 4.13Å; I102-T108 CarbonylContact O-C 3.57Å; I102-T108 WeakPolarHBondContact O-CA 3.36Å; Y103-T108 HydrophobicContact CD1-CG2 3.74Å; Y103-T108 HydrophobicContact CE1-CG2 3.74Å
109	A	94.5	Very high	90.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.1	166.7	0	0	0	0	0	110.4	T101 I102 V104 I147 Y148 F149 F332	T101-A109 CarbonylContact C-O 3.53Å; T101-A109 WeakPolarHBondContact CA-O 3.4Å; I102-A109 PolarHBondContact N-O 3.19Å; I102-A109 PolarHBondContact O-N 3.41Å; V104-A109 HydrophobicContact CG2-CB 4.27Å; A109-I147 HydrophobicContact CB-CG2 4.36Å; A109-Y148 CarbonylContact C-O 3.59Å; A109-Y148 VanDerWaalsContact CA-O 3.24Å; A109-Y148 WeakPolarHBondContact CA-O 3.48Å; A109-F149 HydrophobicContact CB-CB 4.12Å; A109-F149 HydrophobicContact CB-CD2 3.74Å; A109-F149 HydrophobicContact CB-CG 4.27Å; A109-F332 HydrophobicContact CB-CE1 4.13Å; A109-F332 HydrophobicContact CB-CZ 3.54Å
110	K	95.3	Very high	89.6	Confident	45 Å²	45	40.3 Å²	40.3	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.2	167.9	-54.1	-64.8	-178.5	177.4	0	108.7	K100 T101 I147 Y148	K100-K110 WeakPolarHBondContact O-CA 3.43Å; T101-K110 HydrophobicContact CG2-CD 4.28Å; T101-K110 WeakPolarHBondContact OG1-CD 3.43Å; T101-K110 PolarHBondContact OG1-NZ 3.43Å; K110-I147 WeakPolarHBondContact O-CA 3.24Å; K110-Y148 HydrophobicContact CB-CD2 4.33Å; K110-Y148 PolarHBondContact N-O 2.93Å; K110-Y148 PolarHBondContact O-N 2.74Å
111	A	95.9	Very high	88.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.3	172.4	0	0	0	0	0	108.9	K100 I102 F332 V335 Y336	K100-A111 PolarHBondContact N-O 3.23Å; K100-A111 PolarHBondContact O-N 2.87Å; I102-A111 HydrophobicContact CD1-CB 3.85Å; A111-F332 HydrophobicContact CB-CD1 4.36Å; A111-F332 HydrophobicContact CB-CE1 4.38Å; A111-V335 HydrophobicContact CB-CG1 3.83Å; A111-Y336 HydrophobicContact CB-CD2 4.5Å; A111-Y336 HydrophobicContact CB-CE1 4.29Å; A111-Y336 HydrophobicContact CB-CE2 3.82Å
112	C	95.3	Very high	87.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139	-169.6	-43.5	0	0	0	0	110.8	L25 E98 V146 Y336	L25-C112 HydrophobicContact CD2-CB 3.64Å; L25-C112 WeakPolarHBondContact CD2-SG 3.31Å; E98-C112 CarbonylContact O-C 3.59Å; E98-C112 VanDerWaalsContact O-CA 3.23Å; E98-C112 WeakPolarHBondContact O-CA 3.45Å; C112-V146 HydrophobicContact CB-CB 4.23Å; C112-V146 PolarHBondContact N-O 3.05Å; C112-V146 PolarHBondContact O-N 3.22Å; C112-Y336 PolarHBondContact N-OH 3.5Å; C112-Y336 WeakPolarHBondContact O-CE1 3.35Å
113	L	95.2	Very high	86.6	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.1	171.1	-170.5	70.6	0	0	0	108.8	V97 E98 T143 E144 Q145 C339 W340 N343	V97-L113 WeakPolarHBondContact CA-O 3.31Å; E98-L113 HydrophobicContact CB-CB 4.47Å; E98-L113 PolarHBondContact N-O 3.07Å; E98-L113 PolarHBondContact O-N 3.3Å; L113-T143 HydrophobicContact CD1-CG2 3.75Å; L113-T143 HydrophobicContact CG-CG2 4.26Å; L113-E144 WeakPolarHBondContact CA-O 3.45Å; L113-Q145 HydrophobicContact CD1-CB 4.17Å; L113-C339 HydrophobicContact CB-CB 3.98Å; L113-C339 HydrophobicContact CD2-CB 3.98Å; L113-W340 HydrophobicContact CD1-CD2 4.25Å; L113-W340 HydrophobicContact CD1-CH2 4.14Å; L113-W340 HydrophobicContact CD1-CZ2 3.66Å; L113-W340 HydrophobicContact CD2-CB 4.46Å; L113-W340 HydrophobicContact CD2-CD2 3.74Å; L113-W340 HydrophobicContact CD2-CE3 4.04Å; L113-W340 HydrophobicContact CD2-CG 3.95Å; L113-N343 HydrophobicContact CD2-CB 3.72Å
114	I	92.8	Very high	85.6	Confident	19 Å²	19	30.7 Å²	30.7	10%	0.097	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.6	-173.3	-54.1	171.8	0	0	0	108.3	L25 I93 V96 V97 R116 T143 E144	L25-I114 HydrophobicContact CD1-CD1 4.11Å; L25-I114 HydrophobicContact CD2-CD1 4.4Å; I93-I114 HydrophobicContact CD1-CG2 4.38Å; V96-I114 CarbonylContact O-C 3.6Å; V96-I114 WeakPolarHBondContact O-CA 3.35Å; V97-I114 HydrophobicContact CG1-CG1 4.38Å; V97-I114 HydrophobicContact CG2-CG1 4.34Å; V97-I114 HydrophobicContact CG2-CG2 4Å; I114-R116 HydrophobicContact CG2-CG 4.06Å; I114-T143 CarbonylContact O-C 3.46Å; I114-T143 WeakPolarHBondContact O-CA 3.36Å; I114-E144 HydrophobicContact CB-CB 4.48Å; I114-E144 PolarHBondContact N-O 2.91Å; I114-E144 PolarHBondContact O-N 2.79Å
115	S	91.2	Very high	84.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.2	174.1	-76.2	0	0	0	0	110.9	G95 V96 E142 T143 N343	G95-S115 CarbonylContact C-O 3.2Å; G95-S115 WeakPolarHBondContact CA-O 3.18Å; V96-S115 PolarHBondContact N-O 3.06Å; V96-S115 PolarHBondContact O-N 3.13Å; S115-E142 CarbonylContact C-O 3.55Å; S115-E142 VanDerWaalsContact CA-O 3.29Å; S115-E142 WeakPolarHBondContact CA-O 3.28Å; S115-T143 WeakPolarHBondContact OG-CB 3.44Å; S115-T143 VanDerWaalsContact OG-CG2 3.23Å; S115-T143 WeakPolarHBondContact OG-CG2 3.38Å; S115-T143 PolarHBondContact OG-OG1 3.14Å; S115-N343 VanDerWaalsContact CB-OD1 3.23Å; S115-N343 WeakPolarHBondContact CB-OD1 3.02Å; S115-N343 PolarHBondContact OG-ND2 2.9Å; S115-N343 VanDerWaalsContact OG-ND2 3.13Å; S115-N343 PolarHBondContact OG-OD1 2.63Å
116	R	87.4	Confident	83.6	Confident	36 Å²	36	32.5 Å²	32.5	14%	0.136	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.7	-173.6	-58.9	178.9	-82.3	-90.9	2.4	109.5	F68 I93 I114 V141 E142 E144	F68-R116 HydrophobicContact CD1-CB 4.1Å; F68-R116 HydrophobicContact CD1-CG 4.39Å; F68-R116 HydrophobicContact CE1-CB 3.86Å; I93-R116 HydrophobicContact CD1-CG 4.12Å; I93-R116 HydrophobicContact CG2-CG 4.07Å; I114-R116 HydrophobicContact CG2-CG 4.06Å; R116-V141 VanDerWaalsContact O-CA 3.31Å; R116-V141 WeakPolarHBondContact O-CA 3.38Å; R116-E142 IonicContact CZ-OE1 2.62Å; R116-E142 PolarHBondContact N-O 2.92Å; R116-E142 IonicContact NE-OE1 2.76Å; R116-E142 PolarHBondContact NE-OE1 3.45Å; R116-E142 IonicContact NH2-OE1 3.88Å; R116-E142 PolarHBondContact NH2-OE1 2.96Å; R116-E142 PolarHBondContact O-N 3.18Å; R116-E144 IonicContact CZ-OE2 3.64Å; R116-E144 VanDerWaalsContact CZ-OE2 3.25Å; R116-E144 IonicContact NH1-OE2 3.97Å; R116-E144 PolarHBondContact NH1-OE2 2.68Å; R116-E144 IonicContact NH2-OE2 3.09Å; R116-E144 PolarHBondContact NH2-OE2 3.48Å
117	I	82.2	Confident	82.5	Confident	15 Å²	15	28.4 Å²	28.4	8%	0.077	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.7	-177.8	-53.4	-176.1	0	0	0	109.6	F68 G94 F140 V141 L350	F68-I117 WeakPolarHBondContact CZ-O 3.34Å; G94-I117 WeakPolarHBondContact O-CB 3.44Å; G94-I117 PolarHBondContact O-N 3.02Å; I117-F140 CarbonylContact C-O 3.35Å; I117-F140 WeakPolarHBondContact CA-O 3.44Å; I117-V141 HydrophobicContact CB-CG2 4.45Å; I117-V141 HydrophobicContact CG1-CG1 4.26Å; I117-V141 HydrophobicContact CG1-CG2 3.89Å; I117-V141 HydrophobicContact CG2-CG2 4.44Å; I117-L350 HydrophobicContact CD1-CB 4.16Å; I117-L350 HydrophobicContact CD1-CD1 3.54Å; I117-L350 HydrophobicContact CD1-CG 4.48Å
118	S	79.6	Confident	81.7	Confident	18 Å²	18	25 Å²	25	13%	0.126	12%	0.124	C	C	.	.			trans	-61.2	139.4	177.5	164.2	0	0	0	0	112.6	D120 F140	S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 VanDerWaalsContact OG-CB 3.32Å; S118-D120 WeakPolarHBondContact OG-CB 3.28Å; S118-D120 VanDerWaalsContact OG-CG 3.26Å; S118-D120 PolarHBondContact OG-N 3.36Å; S118-D120 PolarHBondContact OG-OD2 3.02Å; S118-F140 PolarHBondContact N-O 2.97Å
119	G	71.8	Confident	81.4	Confident	13 Å²	13	22.2 Å²	22.2	13%	0.134	11%	0.106	C	C	.	.	S	Bend	trans	-80.6	-6.1	170.6	0	0	0	0	0	114.6	R121 L391	G119-R121 PolarHBondContact O-N 3.22Å; G119-L391 WeakPolarHBondContact O-CD1 3.4Å
120	D	70.2	Confident	81.2	Confident	17 Å²	17	22.2 Å²	22.2	9%	0.091	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.1	-169.9	-59.5	-51.4	0	0	0	113.2	S118 H136 Q412	S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 VanDerWaalsContact OG-CB 3.32Å; S118-D120 WeakPolarHBondContact OG-CB 3.28Å; S118-D120 VanDerWaalsContact OG-CG 3.26Å; S118-D120 PolarHBondContact OG-N 3.36Å; S118-D120 PolarHBondContact OG-OD2 3.02Å; D120-H136 HydrophobicContact CB-CB 3.76Å; D120-Q412 PolarHBondContact OD1-NE2 3.28Å
121	R	76	Confident	81	Confident	71 Å²	71	20.1 Å²	20.1	27%	0.268	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.9	49.8	175.3	-166	171.4	176.5	82.5	-7.9	111	G119 V128 R129 G130 V131 N132 H136 A138	G119-R121 PolarHBondContact O-N 3.22Å; R121-V128 HydrophobicContact CG-CG1 3.61Å; R121-R129 PolarHBondContact NE-O 3.08Å; R121-R129 PolarHBondContact NH2-O 3.44Å; R121-G130 WeakPolarHBondContact CD-O 3.43Å; R121-G130 PolarHBondContact NE-O 3.26Å; R121-G130 VanDerWaalsContact NE-O 3.13Å; R121-V131 PolarHBondContact NH2-O 3.17Å; R121-N132 VanDerWaalsContact NH1-CB 3.29Å; R121-H136 HydrophobicContact CB-CB 4.35Å; R121-H136 WeakPolarHBondContact CD-O 3.22Å; R121-A138 HydrophobicContact CG-CB 4.31Å; R121-A138 WeakPolarHBondContact O-CA 3.5Å
122	M	73.6	Confident	80.4	Confident	20 Å²	20	21.1 Å²	21.1	10%	0.099	10%	0.102	C	C	.	.			trans	-72.5	134.4	177.7	-172.1	-179.7	-179	0	0	111.1	Q384 I387 L391	M122-Q384 PolarHBondContact O-NE2 3.13Å; M122-Q384 VanDerWaalsContact O-NE2 3.15Å; M122-I387 HydrophobicContact CB-CG2 4.13Å; M122-I387 HydrophobicContact CE-CD1 4.2Å; M122-I387 HydrophobicContact CG-CD1 4.4Å; M122-I387 HydrophobicContact CG-CG2 4.15Å; M122-I387 HydrophobicContact SD-CD1 4.49Å; M122-I387 HydrophobicContact SD-CG2 4.18Å; M122-L391 HydrophobicContact CB-CD1 4.39Å
123	G	69.5	Low	79.7	Confident	4 Å²	4	21.8 Å²	21.8	4%	0.041	11%	0.106	C	C	.	.			trans	-172.4	174.1	168.8	0	0	0	0	0	115	N139 Y351	G123-N139 PolarHBondContact O-OD1 3.39Å; G123-Y351 WeakPolarHBondContact O-CD2 3.43Å; G123-Y351 WeakPolarHBondContact O-CE2 3.36Å
124	T	72.2	Confident	78.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.116	C	C	.	.			trans	-81.8	165	-175.9	76.9	0	0	0	0	111.8	F126 N127 V128 D380 K383 I387	T124-F126 VanDerWaalsContact C-N 3.25Å; T124-F126 PolarHBondContact O-N 3.29Å; T124-N127 PolarHBondContact O-N 3.27Å; T124-N127 VanDerWaalsContact O-N 3.08Å; T124-N127 PolarHBondContact OG1-ND2 3.43Å; T124-V128 PolarHBondContact O-N 3.48Å; T124-D380 VanDerWaalsContact CB-CG 3.43Å; T124-D380 VanDerWaalsContact CB-OD2 3.24Å; T124-D380 WeakPolarHBondContact CB-OD2 3.17Å; T124-D380 WeakPolarHBondContact OG1-CB 3.5Å; T124-D380 PolarHBondContact OG1-OD2 3.45Å; T124-K383 HydrophobicContact CG2-CB 4.05Å; T124-K383 HydrophobicContact CG2-CD 3.82Å; T124-K383 HydrophobicContact CG2-CG 4Å; T124-I387 HydrophobicContact CG2-CD1 4.46Å
125	R	68.8	Low	78.4	Confident	80 Å²	80	23.3 Å²	23.3	30%	0.302	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-39.8	-168.4	-174.8	173.8	-178.8	-170.4	-6.2	116.1	R129 D296 Y351 T352	R125-R129 VanDerWaalsContact CG-NH2 3.31Å; R125-R129 VanDerWaalsContact O-CZ 3.31Å; R125-R129 PolarHBondContact O-NE 3.39Å; R125-R129 PolarHBondContact O-NH2 2.96Å; R125-D296 IonicContact CZ-OD1 3.21Å; R125-D296 IonicContact CZ-OD2 2.83Å; R125-D296 VanDerWaalsContact CZ-OD2 3.25Å; R125-D296 IonicContact NE-OD1 3.64Å; R125-D296 PolarHBondContact NE-OD1 3.36Å; R125-D296 VanDerWaalsContact NE-OD1 3.13Å; R125-D296 IonicContact NE-OD2 2.65Å; R125-D296 PolarHBondContact NE-OD2 2.77Å; R125-D296 IonicContact NH2-OD1 2.78Å; R125-D296 IonicContact NH2-OD2 2.91Å; R125-D296 PolarHBondContact NH2-OD2 3.43Å; R125-Y351 VanDerWaalsContact CA-CE2 3.49Å; R125-Y351 WeakPolarHBondContact CA-OH 3.23Å; R125-Y351 HydrophobicContact CB-CD1 4.06Å; R125-Y351 HydrophobicContact CB-CE1 3.6Å; R125-Y351 HydrophobicContact CB-CE2 4.23Å; R125-Y351 HydrophobicContact CG-CD1 4.37Å; R125-Y351 HydrophobicContact CG-CE1 3.59Å; R125-Y351 PolarHBondContact N-O 2.98Å; R125-Y351 PolarHBondContact O-OH 3.35Å; R125-T352 HydrophobicContact CB-CG2 4.39Å
126	F	68.6	Low	78.1	Confident	35 Å²	35	23.8 Å²	23.8	15%	0.154	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-0.2	-175	-57.4	-69.1	0	0	0	114.2	T124 H177 N377	T124-F126 VanDerWaalsContact C-N 3.25Å; T124-F126 PolarHBondContact O-N 3.29Å; F126-H177 AromaticContact CE1-CE1 3.9Å; F126-H177 AromaticContact CE1-ND1 3.83Å; F126-N377 WeakPolarHBondContact CD2-OD1 3.34Å; F126-N377 WeakPolarHBondContact CE2-OD1 3.45Å
127	N	67.4	Low	78.2	Confident	62 Å²	62	22.2 Å²	22.2	33%	0.332	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-35.9	-178.7	-71.1	-41.2	0	0	0	112.9	T124 D380 Q384	T124-N127 PolarHBondContact O-N 3.27Å; T124-N127 VanDerWaalsContact O-N 3.08Å; T124-N127 PolarHBondContact OG1-ND2 3.43Å; N127-D380 PolarHBondContact ND2-O 2.78Å; N127-D380 VanDerWaalsContact ND2-O 3.07Å; N127-Q384 HydrophobicContact CB-CB 4.26Å; N127-Q384 HydrophobicContact CB-CG 4.02Å
128	V	75.3	Confident	78.4	Confident	21 Å²	21	21.5 Å²	21.5	13%	0.127	11%	0.105	C	C	.	.			trans	-133.3	113.6	-174.8	-175	0	0	0	0	110.7	R121 T124 A138 Q384	R121-V128 HydrophobicContact CG-CG1 3.61Å; T124-V128 PolarHBondContact O-N 3.48Å; V128-A138 HydrophobicContact CG1-CB 3.84Å; V128-A138 WeakPolarHBondContact O-CB 3.38Å; V128-Q384 HydrophobicContact CG2-CG 4.49Å
129	R	87	Confident	78.5	Confident	7 Å²	7	21.6 Å²	21.6	3%	0.026	10%	0.104	C	C	.	.			trans	-136.9	172.3	172.1	-60.7	-153.2	-176.7	-125.3	12.5	110.7	R121 R125 W167 L295 D296 Y351	R121-R129 PolarHBondContact NE-O 3.08Å; R121-R129 PolarHBondContact NH2-O 3.44Å; R125-R129 VanDerWaalsContact CG-NH2 3.31Å; R125-R129 VanDerWaalsContact O-CZ 3.31Å; R125-R129 PolarHBondContact O-NE 3.39Å; R125-R129 PolarHBondContact O-NH2 2.96Å; R129-W167 CarbonylContact C-O 3.52Å; R129-W167 VanDerWaalsContact C-O 3.29Å; R129-W167 HydrophobicContact CB-CD2 4.27Å; R129-W167 HydrophobicContact CB-CE3 4.24Å; R129-W167 HydrophobicContact CB-CH2 4.19Å; R129-W167 HydrophobicContact CB-CZ2 4.14Å; R129-W167 HydrophobicContact CB-CZ3 4.22Å; R129-W167 HydrophobicContact CG-CH2 4.3Å; R129-W167 HydrophobicContact CG-CZ3 4.39Å; R129-L295 PolarHBondContact NH1-O 3.24Å; R129-D296 IonicContact CZ-OD1 3.67Å; R129-D296 VanDerWaalsContact CZ-OD1 3.28Å; R129-D296 IonicContact NH1-OD1 3.35Å; R129-D296 PolarHBondContact NH1-OD1 2.98Å; R129-D296 IonicContact NH2-OD1 3.44Å; R129-D296 PolarHBondContact NH2-OD1 3.01Å; R129-Y351 PolarHBondContact NH1-OH 3.5Å
130	G	90.3	Very high	79.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	67.3	-163.9	179.3	0	0	0	0	0	114.6	R121 V137 A138 S162 V163 L165 W167	R121-G130 WeakPolarHBondContact CD-O 3.43Å; R121-G130 PolarHBondContact NE-O 3.26Å; R121-G130 VanDerWaalsContact NE-O 3.13Å; G130-V137 WeakPolarHBondContact O-CA 3.43Å; G130-A138 PolarHBondContact O-N 2.87Å; G130-S162 WeakPolarHBondContact CA-OG 3.44Å; G130-S162 PolarHBondContact N-OG 3.49Å; G130-V163 WeakPolarHBondContact CA-O 3.01Å; G130-L165 CarbonylContact C-O 3.48Å; G130-L165 WeakPolarHBondContact CA-O 3.34Å; G130-W167 VanDerWaalsContact CA-CD1 3.43Å; G130-W167 VanDerWaalsContact CA-NE1 3.34Å; G130-W167 PolarHBondContact N-O 3.37Å
131	V	90.3	Very high	80.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-95.6	154.6	177.9	76.7	0	0	0	0	111.3	R121 G135 H136 V137 L165 F166 A191	R121-V131 PolarHBondContact NH2-O 3.17Å; V131-G135 VanDerWaalsContact CG2-C 3.41Å; V131-G135 VanDerWaalsContact CG2-CA 3.48Å; V131-H136 CarbonylContact C-O 3.44Å; V131-H136 WeakPolarHBondContact CA-O 3.35Å; V131-V137 HydrophobicContact CB-CG1 4.23Å; V131-V137 HydrophobicContact CG2-CG1 4.03Å; V131-L165 PolarHBondContact N-O 2.66Å; V131-F166 HydrophobicContact CG1-CD1 3.98Å; V131-F166 HydrophobicContact CG1-CD2 4.31Å; V131-F166 HydrophobicContact CG1-CE1 3.94Å; V131-F166 HydrophobicContact CG1-CE2 4.27Å; V131-F166 HydrophobicContact CG1-CG 4.17Å; V131-F166 HydrophobicContact CG1-CZ 4.09Å; V131-F166 WeakPolarHBondContact O-CD1 3.48Å; V131-F166 WeakPolarHBondContact O-CE1 3.43Å; V131-A191 HydrophobicContact CB-CB 4.45Å; V131-A191 HydrophobicContact CG1-CB 3.51Å; V131-A191 HydrophobicContact CG2-CB 4.09Å
132	N	83.5	Confident	81.1	Confident	22 Å²	22	19.2 Å²	19.2	12%	0.118	9%	0.092	C	C	.	.			trans	-93.1	177.5	164	68.1	8	0	0	0	111.5	R121 F134 G135 H136	R121-N132 VanDerWaalsContact NH1-CB 3.29Å; N132-F134 PolarHBondContact O-N 3.23Å; N132-F134 WeakPolarHBondContact OD1-CA 3.24Å; N132-F134 PolarHBondContact OD1-N 3.37Å; N132-G135 PolarHBondContact O-N 3.1Å; N132-G135 VanDerWaalsContact O-N 3.15Å; N132-G135 PolarHBondContact OD1-N 3.36Å; N132-G135 VanDerWaalsContact OD1-N 3.14Å; N132-H136 PolarHBondContact N-O 3.08Å; N132-H136 PolarHBondContact OD1-N 2.87Å; N132-H136 PolarHBondContact OD1-O 3.02Å
133	D	80.1	Confident	82.2	Confident	13 Å²	13	18.2 Å²	18.2	7%	0.07	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.3	176.7	-72	-58.7	0	0	0	114.3	R183 R194 R568 D569	D133-R183 IonicContact OD1-CZ 3.25Å; D133-R183 IonicContact OD1-NH1 2.95Å; D133-R183 PolarHBondContact OD1-NH1 2.82Å; D133-R183 IonicContact OD1-NH2 2.8Å; D133-R183 PolarHBondContact OD1-NH2 3.08Å; D133-R183 IonicContact OD2-CZ 2.78Å; D133-R183 IonicContact OD2-NH1 3.34Å; D133-R183 IonicContact OD2-NH2 2.77Å; D133-R183 PolarHBondContact OD2-NH2 3.05Å; D133-R194 PolarHBondContact O-NE 2.91Å; D133-R194 PolarHBondContact O-NH2 2.85Å; D133-R568 HydrophobicContact CB-CB 4.2Å; D133-R568 HydrophobicContact CB-CG 4.28Å; D133-D569 PolarHBondContact OD2-N 2.96Å
134	F	76.2	Confident	83.5	Confident	54 Å²	54	20.1 Å²	20.1	24%	0.237	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.5	-178.7	-53.5	-70.6	0	0	0	113.7	N132 C410	N132-F134 PolarHBondContact O-N 3.23Å; N132-F134 WeakPolarHBondContact OD1-CA 3.24Å; N132-F134 PolarHBondContact OD1-N 3.37Å; F134-C410 WeakPolarHBondContact CD1-O 3.4Å; F134-C410 WeakPolarHBondContact CE1-O 3.4Å
135	G	84.9	Confident	84.7	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	88	4.4	-178.9	0	0	0	0	0	114.7	V131 N132 A191 H195	V131-G135 VanDerWaalsContact CG2-C 3.41Å; V131-G135 VanDerWaalsContact CG2-CA 3.48Å; N132-G135 PolarHBondContact O-N 3.1Å; N132-G135 VanDerWaalsContact O-N 3.15Å; N132-G135 PolarHBondContact OD1-N 3.36Å; N132-G135 VanDerWaalsContact OD1-N 3.14Å; G135-A191 WeakPolarHBondContact CA-O 3.25Å; G135-H195 VanDerWaalsContact O-CB 3.27Å; G135-H195 WeakPolarHBondContact O-CB 3.37Å; G135-H195 PolarHBondContact O-ND1 2.88Å
136	H	85.3	Confident	86	Confident	10 Å²	10	16.4 Å²	16.4	5%	0.046	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-83.3	129.6	175.8	-51.5	-54.7	0	0	0	110.6	D120 R121 V131 N132 Q412	D120-H136 HydrophobicContact CB-CB 3.76Å; R121-H136 HydrophobicContact CB-CB 4.35Å; R121-H136 WeakPolarHBondContact CD-O 3.22Å; V131-H136 CarbonylContact C-O 3.44Å; V131-H136 WeakPolarHBondContact CA-O 3.35Å; N132-H136 PolarHBondContact N-O 3.08Å; N132-H136 PolarHBondContact OD1-N 2.87Å; N132-H136 PolarHBondContact OD1-O 3.02Å; H136-Q412 PolarHBondContact CE1-OE1 3.21Å; H136-Q412 WeakPolarHBondContact NE2-CG 3.27Å; H136-Q412 PolarHBondContact NE2-NE2 2.98Å; H136-Q412 PolarHBondContact NE2-OE1 3.09Å
137	V	90.4	Very high	87.4	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.012	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-96.8	148.4	-179.5	-59.8	0	0	0	0	111.8	G130 V131 F140 S162 P164	G130-V137 WeakPolarHBondContact O-CA 3.43Å; V131-V137 HydrophobicContact CB-CG1 4.23Å; V131-V137 HydrophobicContact CG2-CG1 4.03Å; V137-F140 HydrophobicContact CG2-CB 3.9Å; V137-F140 HydrophobicContact CG2-CD2 3.8Å; V137-F140 HydrophobicContact CG2-CG 4.33Å; V137-S162 WeakPolarHBondContact CB-O 3.46Å; V137-S162 WeakPolarHBondContact CG1-O 3.32Å; V137-P164 HydrophobicContact CG1-CB 3.67Å
138	A	85.1	Confident	88.7	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	141.2	173.3	0	0	0	0	0	111.3	R121 V128 G130 F140 S162	R121-A138 HydrophobicContact CG-CB 4.31Å; R121-A138 WeakPolarHBondContact O-CA 3.5Å; V128-A138 HydrophobicContact CG1-CB 3.84Å; V128-A138 WeakPolarHBondContact O-CB 3.38Å; G130-A138 PolarHBondContact O-N 2.87Å; A138-F140 PolarHBondContact O-N 2.84Å; A138-S162 WeakPolarHBondContact O-CB 3.44Å; A138-S162 PolarHBondContact O-N 2.8Å
139	N	81.9	Confident	89.7	Confident	20 Å²	20	15 Å²	15	11%	0.107	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	37.9	176.5	-46.1	-58.7	0	0	0	113.6	G123 V141 G161 Y351	G123-N139 PolarHBondContact O-OD1 3.39Å; N139-V141 WeakPolarHBondContact O-CG2 3.29Å; N139-V141 PolarHBondContact O-N 3.09Å; N139-G161 WeakPolarHBondContact O-CA 3.39Å; N139-Y351 WeakPolarHBondContact ND2-CE2 2.91Å; N139-Y351 VanDerWaalsContact ND2-CZ 3.35Å; N139-Y351 PolarHBondContact ND2-OH 2.83Å; N139-Y351 WeakPolarHBondContact OD1-CD2 3.46Å; N139-Y351 WeakPolarHBondContact OD1-CE2 3.5Å
140	F	89.5	Confident	89.9	Confident	11 Å²	11	18 Å²	18	5%	0.048	10%	0.102	C	C	.	.			trans	-65.3	122.7	170.3	-172.8	-91.8	0	0	0	109.4	I117 S118 V137 A138 T159 R160 W198 L199 Y203	I117-F140 CarbonylContact C-O 3.35Å; I117-F140 WeakPolarHBondContact CA-O 3.44Å; S118-F140 PolarHBondContact N-O 2.97Å; V137-F140 HydrophobicContact CG2-CB 3.9Å; V137-F140 HydrophobicContact CG2-CD2 3.8Å; V137-F140 HydrophobicContact CG2-CG 4.33Å; A138-F140 PolarHBondContact O-N 2.84Å; F140-T159 HydrophobicContact CE1-CG2 4.28Å; F140-T159 HydrophobicContact CE2-CG2 4.3Å; F140-T159 HydrophobicContact CZ-CG2 3.59Å; F140-R160 CarbonylContact C-O 3.55Å; F140-R160 VanDerWaalsContact CA-O 3.26Å; F140-R160 WeakPolarHBondContact CA-O 3.18Å; F140-W198 AromaticContact CD1-CH2 3.85Å; F140-W198 HydrophobicContact CD1-CH2 3.85Å; F140-W198 HydrophobicContact CD1-CZ3 4.49Å; F140-W198 HydrophobicContact CD2-CH2 4.26Å; F140-W198 HydrophobicContact CD2-CZ3 4.09Å; F140-W198 AromaticContact CE1-CH2 3.53Å; F140-W198 HydrophobicContact CE1-CH2 3.53Å; F140-W198 HydrophobicContact CE1-CZ3 4.12Å; F140-W198 AromaticContact CE2-CH2 3.97Å; F140-W198 HydrophobicContact CE2-CH2 3.97Å; F140-W198 AromaticContact CE2-CZ3 3.69Å; F140-W198 HydrophobicContact CE2-CZ3 3.69Å; F140-W198 HydrophobicContact CG-CH2 4.19Å; F140-W198 HydrophobicContact CG-CZ3 4.45Å; F140-W198 AromaticContact CZ-CH2 3.57Å; F140-W198 HydrophobicContact CZ-CH2 3.57Å; F140-W198 AromaticContact CZ-CZ3 3.69Å; F140-W198 HydrophobicContact CZ-CZ3 3.69Å; F140-L199 HydrophobicContact CE2-CD2 3.78Å; F140-L199 HydrophobicContact CZ-CD2 3.78Å; F140-Y203 HydrophobicContact CZ-CE2 4.38Å
141	V	90	Very high	90	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.03	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.7	179.1	-169.7	0	0	0	0	109.3	R116 I117 N139 T159 R160	R116-V141 VanDerWaalsContact O-CA 3.31Å; R116-V141 WeakPolarHBondContact O-CA 3.38Å; I117-V141 HydrophobicContact CB-CG2 4.45Å; I117-V141 HydrophobicContact CG1-CG1 4.26Å; I117-V141 HydrophobicContact CG1-CG2 3.89Å; I117-V141 HydrophobicContact CG2-CG2 4.44Å; N139-V141 WeakPolarHBondContact O-CG2 3.29Å; N139-V141 PolarHBondContact O-N 3.09Å; V141-T159 CarbonylContact O-C 3.38Å; V141-T159 WeakPolarHBondContact O-CA 3.12Å; V141-R160 HydrophobicContact CB-CG 3.85Å; V141-R160 HydrophobicContact CG2-CG 4.32Å; V141-R160 PolarHBondContact N-O 2.63Å; V141-R160 PolarHBondContact O-N 3.1Å
142	E	93.7	Very high	90.3	Very high	35 Å²	35	25.3 Å²	25.3	16%	0.164	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.4	165.9	-175.9	-178.7	88.2	0	0	108.6	S115 R116 V157 Y203	S115-E142 CarbonylContact C-O 3.55Å; S115-E142 VanDerWaalsContact CA-O 3.29Å; S115-E142 WeakPolarHBondContact CA-O 3.28Å; R116-E142 IonicContact CZ-OE1 2.62Å; R116-E142 PolarHBondContact N-O 2.92Å; R116-E142 IonicContact NE-OE1 2.76Å; R116-E142 PolarHBondContact NE-OE1 3.45Å; R116-E142 IonicContact NH2-OE1 3.88Å; R116-E142 PolarHBondContact NH2-OE1 2.96Å; R116-E142 PolarHBondContact O-N 3.18Å; E142-V157 HydrophobicContact CG-CG1 3.57Å; E142-Y203 WeakPolarHBondContact OE2-CE1 3.47Å; E142-Y203 PolarHBondContact OE2-OH 2.99Å
143	T	95.5	Very high	90.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.4	178.2	-57.1	0	0	0	0	109.8	L113 I114 S115 V157 Q158 W340	L113-T143 HydrophobicContact CD1-CG2 3.75Å; L113-T143 HydrophobicContact CG-CG2 4.26Å; I114-T143 CarbonylContact O-C 3.46Å; I114-T143 WeakPolarHBondContact O-CA 3.36Å; S115-T143 WeakPolarHBondContact OG-CB 3.44Å; S115-T143 VanDerWaalsContact OG-CG2 3.23Å; S115-T143 WeakPolarHBondContact OG-CG2 3.38Å; S115-T143 PolarHBondContact OG-OG1 3.14Å; T143-V157 WeakPolarHBondContact O-CA 3.44Å; T143-Q158 PolarHBondContact N-O 2.95Å; T143-Q158 PolarHBondContact O-N 2.85Å; T143-W340 HydrophobicContact CG2-CH2 3.39Å; T143-W340 HydrophobicContact CG2-CZ2 4.16Å; T143-W340 HydrophobicContact CG2-CZ3 3.77Å
144	E	97	Very high	91.7	Very high	43 Å²	43	25.4 Å²	25.4	20%	0.201	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.5	-176.6	-173.4	-176.1	-177	0	0	110.8	L113 I114 R116 V146 S155 Y156 V157	L113-E144 WeakPolarHBondContact CA-O 3.45Å; I114-E144 HydrophobicContact CB-CB 4.48Å; I114-E144 PolarHBondContact N-O 2.91Å; I114-E144 PolarHBondContact O-N 2.79Å; R116-E144 IonicContact CZ-OE2 3.64Å; R116-E144 VanDerWaalsContact CZ-OE2 3.25Å; R116-E144 IonicContact NH1-OE2 3.97Å; R116-E144 PolarHBondContact NH1-OE2 2.68Å; R116-E144 IonicContact NH2-OE2 3.09Å; R116-E144 PolarHBondContact NH2-OE2 3.48Å; E144-V146 HydrophobicContact CG-CG2 3.56Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.48Å; E144-S155 VanDerWaalsContact CD-OG 3.25Å; E144-S155 WeakPolarHBondContact CG-OG 3.27Å; E144-S155 PolarHBondContact OE1-OG 2.82Å; E144-Y156 WeakPolarHBondContact CA-O 3.38Å; E144-V157 HydrophobicContact CB-CG2 4.16Å; E144-V157 HydrophobicContact CG-CG2 3.84Å
145	Q	97.8	Very high	92.7	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.4	176.2	-172.6	178.7	-83.7	0	0	108.9	L113 S155 Y156 G309 Y336	L113-Q145 HydrophobicContact CD1-CB 4.17Å; Q145-S155 CarbonylContact O-C 3.52Å; Q145-S155 VanDerWaalsContact O-CA 3.29Å; Q145-S155 WeakPolarHBondContact O-CA 3.37Å; Q145-Y156 PolarHBondContact N-O 3.24Å; Q145-Y156 PolarHBondContact O-N 2.92Å; Q145-G309 PolarHBondContact NE2-O 3.3Å; Q145-G309 PolarHBondContact OE1-O 2.9Å; Q145-Y336 HydrophobicContact CG-CD1 3.79Å; Q145-Y336 HydrophobicContact CG-CE1 3.28Å; Q145-Y336 HydrophobicContact CG-CE2 4.3Å
146	V	97	Very high	93.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.6	-170.8	-168.4	0	0	0	0	112.1	C112 E144 Y148 V153 V154 Y336	C112-V146 HydrophobicContact CB-CB 4.23Å; C112-V146 PolarHBondContact N-O 3.05Å; C112-V146 PolarHBondContact O-N 3.22Å; E144-V146 HydrophobicContact CG-CG2 3.56Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.48Å; V146-Y148 HydrophobicContact CB-CE2 4.28Å; V146-Y148 HydrophobicContact CG1-CD2 4.01Å; V146-Y148 HydrophobicContact CG1-CE2 3.51Å; V146-V153 HydrophobicContact CG1-CG1 4.09Å; V146-V154 CarbonylContact C-O 3.52Å; V146-V154 WeakPolarHBondContact CA-O 3.02Å; V146-Y336 VanDerWaalsContact C-OH 3.29Å; V146-Y336 PolarHBondContact O-OH 3.02Å
147	I	97	Very high	94	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.3	167.7	-54.6	170.2	0	0	0	109.5	A109 K110 F149 V153 V154 L313 M316 L317 I320 F332 Y336	A109-I147 HydrophobicContact CB-CG2 4.36Å; K110-I147 WeakPolarHBondContact O-CA 3.24Å; I147-F149 HydrophobicContact CG2-CB 4.25Å; I147-V153 WeakPolarHBondContact O-CA 3.41Å; I147-V154 HydrophobicContact CB-CG2 3.73Å; I147-V154 HydrophobicContact CD1-CG2 4.28Å; I147-V154 HydrophobicContact CG1-CG2 4.3Å; I147-V154 PolarHBondContact N-O 2.95Å; I147-V154 PolarHBondContact O-N 3.27Å; I147-L313 HydrophobicContact CD1-CD1 3.76Å; I147-M316 HydrophobicContact CD1-CB 4.27Å; I147-M316 HydrophobicContact CD1-CE 4.1Å; I147-M316 HydrophobicContact CG1-CE 4.03Å; I147-L317 HydrophobicContact CD1-CD2 4.12Å; I147-I320 HydrophobicContact CD1-CD1 4.18Å; I147-I320 HydrophobicContact CG2-CD1 3.9Å; I147-F332 HydrophobicContact CD1-CD1 4.08Å; I147-F332 HydrophobicContact CD1-CE1 3.88Å; I147-F332 HydrophobicContact CG1-CE1 4.15Å; I147-F332 HydrophobicContact CG2-CE1 3.88Å; I147-F332 HydrophobicContact CG2-CZ 4.26Å; I147-Y336 HydrophobicContact CD1-CE2 4.25Å; I147-Y336 HydrophobicContact CG1-CE2 4.08Å; I147-Y336 VanDerWaalsContact CG1-OH 3.26Å; I147-Y336 WeakPolarHBondContact CG1-OH 3.46Å
148	Y	95.3	Very high	94.3	Very high	63 Å²	63	23.7 Å²	23.7	25%	0.247	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.4	164.2	-61.5	-93.2	0	0	0	108.8	L25 A109 K110 V146 V153	L25-Y148 HydrophobicContact CD2-CE2 4.44Å; A109-Y148 CarbonylContact C-O 3.59Å; A109-Y148 VanDerWaalsContact CA-O 3.24Å; A109-Y148 WeakPolarHBondContact CA-O 3.48Å; K110-Y148 HydrophobicContact CB-CD2 4.33Å; K110-Y148 PolarHBondContact N-O 2.93Å; K110-Y148 PolarHBondContact O-N 2.74Å; V146-Y148 HydrophobicContact CB-CE2 4.28Å; V146-Y148 HydrophobicContact CG1-CD2 4.01Å; V146-Y148 HydrophobicContact CG1-CE2 3.51Å; Y148-V153 HydrophobicContact CD1-CB 4.42Å; Y148-V153 HydrophobicContact CD1-CG1 4.02Å; Y148-V153 HydrophobicContact CD1-CG2 3.62Å; Y148-V153 HydrophobicContact CE1-CG1 3.76Å; Y148-V153 HydrophobicContact CE1-CG2 3.89Å
149	F	95.2	Very high	94.9	Very high	25 Å²	25	23.7 Å²	23.7	11%	0.11	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	113.1	178.1	-179.4	-117.7	0	0	0	111.7	V104 L107 A109 I147 E151 D152 I320 V322	V104-F149 HydrophobicContact CB-CE2 3.74Å; V104-F149 HydrophobicContact CB-CZ 4.06Å; V104-F149 HydrophobicContact CG1-CE2 3.95Å; V104-F149 HydrophobicContact CG1-CZ 3.72Å; V104-F149 HydrophobicContact CG2-CE2 4.04Å; L107-F149 HydrophobicContact CB-CE2 3.72Å; L107-F149 HydrophobicContact CB-CZ 4.29Å; L107-F149 HydrophobicContact CD1-CE2 4.05Å; L107-F149 HydrophobicContact CD1-CZ 3.88Å; A109-F149 HydrophobicContact CB-CB 4.12Å; A109-F149 HydrophobicContact CB-CD2 3.74Å; A109-F149 HydrophobicContact CB-CG 4.27Å; I147-F149 HydrophobicContact CG2-CB 4.25Å; F149-E151 PolarHBondContact O-N 2.88Å; F149-D152 PolarHBondContact N-O 3.33Å; F149-D152 WeakPolarHBondContact O-CB 3.24Å; F149-D152 PolarHBondContact O-N 3.09Å; F149-I320 HydrophobicContact CB-CD1 4.47Å; F149-I320 HydrophobicContact CD1-CB 4.04Å; F149-V322 HydrophobicContact CE1-CG1 4.12Å; F149-V322 HydrophobicContact CZ-CG1 4.41Å
150	G	91.7	Very high	95.5	Very high	69 Å²	69	22.9 Å²	22.9	71%	0.711	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-123.5	-173.6	0	0	0	0	0	110.9
151	E	92.7	Very high	95.6	Very high	133 Å²	133	22.3 Å²	22.3	62%	0.621	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.4	172.9	-64.1	-172.3	159.8	0	0	113	F149 K278 G279	F149-E151 PolarHBondContact O-N 2.88Å; E151-K278 HydrophobicContact CB-CG 3.97Å; E151-K278 CarbonylContact O-C 3.6Å; E151-K278 WeakPolarHBondContact O-CA 3.08Å; E151-G279 PolarHBondContact O-N 2.94Å
152	D	95.7	Very high	95.8	Very high	22 Å²	22	22.2 Å²	22.2	12%	0.118	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.3	-176	-68.5	-79.2	0	0	0	111.2	F149 H276 C277 I320	F149-D152 PolarHBondContact N-O 3.33Å; F149-D152 WeakPolarHBondContact O-CB 3.24Å; F149-D152 PolarHBondContact O-N 3.09Å; D152-H276 IonicContact OD1-CD2 3.76Å; D152-H276 IonicContact OD1-CE1 3.84Å; D152-H276 IonicContact OD1-NE2 3.69Å; D152-H276 PolarHBondContact OD1-NE2 3.43Å; D152-C277 WeakPolarHBondContact CA-O 3.49Å; D152-I320 HydrophobicContact CB-CG2 4.26Å
153	V	96.4	Very high	95.8	Very high	36 Å²	36	20.6 Å²	20.6	22%	0.218	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.6	169.8	-174.7	0	0	0	0	108	V146 I147 Y148 F275 H276 C277	V146-V153 HydrophobicContact CG1-CG1 4.09Å; I147-V153 WeakPolarHBondContact O-CA 3.41Å; Y148-V153 HydrophobicContact CD1-CB 4.42Å; Y148-V153 HydrophobicContact CD1-CG1 4.02Å; Y148-V153 HydrophobicContact CD1-CG2 3.62Å; Y148-V153 HydrophobicContact CE1-CG1 3.76Å; Y148-V153 HydrophobicContact CE1-CG2 3.89Å; V153-F275 HydrophobicContact CG1-CE1 4.44Å; V153-H276 WeakPolarHBondContact O-CA 3.36Å; V153-C277 PolarHBondContact N-O 2.99Å; V153-C277 PolarHBondContact O-N 3.28Å
154	V	97.7	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.3	175.5	-67.6	0	0	0	0	110.2	V146 I147 Y274 F275 H276 M316 T319 I320	V146-V154 CarbonylContact C-O 3.52Å; V146-V154 WeakPolarHBondContact CA-O 3.02Å; I147-V154 HydrophobicContact CB-CG2 3.73Å; I147-V154 HydrophobicContact CD1-CG2 4.28Å; I147-V154 HydrophobicContact CG1-CG2 4.3Å; I147-V154 PolarHBondContact N-O 2.95Å; I147-V154 PolarHBondContact O-N 3.27Å; V154-Y274 HydrophobicContact CB-CD2 4.4Å; V154-Y274 HydrophobicContact CB-CE2 4.28Å; V154-Y274 HydrophobicContact CG1-CE2 4.09Å; V154-F275 CarbonylContact C-O 3.59Å; V154-F275 VanDerWaalsContact CA-O 3.24Å; V154-F275 WeakPolarHBondContact CA-O 3.49Å; V154-H276 HydrophobicContact CG1-CB 4.1Å; V154-M316 HydrophobicContact CB-CE 4.1Å; V154-M316 HydrophobicContact CG2-CB 4.04Å; V154-M316 HydrophobicContact CG2-CE 3.65Å; V154-M316 HydrophobicContact CG2-CG 4.37Å; V154-M316 WeakPolarHBondContact O-CE 3.33Å; V154-T319 HydrophobicContact CG1-CG2 3.78Å; V154-I320 HydrophobicContact CG1-CG2 4.1Å; V154-I320 HydrophobicContact CG2-CG2 3.76Å
155	S	97.5	Very high	95.6	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.9	-176.2	175.3	0	0	0	0	112.4	E144 Q145 Y274 F275	E144-S155 VanDerWaalsContact CD-OG 3.25Å; E144-S155 WeakPolarHBondContact CG-OG 3.27Å; E144-S155 PolarHBondContact OE1-OG 2.82Å; Q145-S155 CarbonylContact O-C 3.52Å; Q145-S155 VanDerWaalsContact O-CA 3.29Å; Q145-S155 WeakPolarHBondContact O-CA 3.37Å; S155-Y274 WeakPolarHBondContact O-CB 3.31Å; S155-F275 PolarHBondContact N-O 2.86Å; S155-F275 WeakPolarHBondContact O-CB 3.4Å; S155-F275 PolarHBondContact O-N 3.39Å
156	Y	98.4	Very high	95.2	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.016	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	174.9	177.6	-116.5	0	0	0	111.6	E144 Q145 Q158 V269 I308 V312	E144-Y156 WeakPolarHBondContact CA-O 3.38Å; Q145-Y156 PolarHBondContact N-O 3.24Å; Q145-Y156 PolarHBondContact O-N 2.92Å; Y156-Q158 HydrophobicContact CD1-CG 4.06Å; Y156-Q158 HydrophobicContact CE1-CG 3.31Å; Y156-V269 HydrophobicContact CE2-CG1 4.24Å; Y156-I308 HydrophobicContact CE1-CG2 4.01Å; Y156-V312 HydrophobicContact CD1-CB 4.01Å; Y156-V312 HydrophobicContact CD1-CG1 3.99Å; Y156-V312 HydrophobicContact CD1-CG2 4.08Å; Y156-V312 HydrophobicContact CD2-CG1 3.92Å; Y156-V312 HydrophobicContact CD2-CG2 4.41Å; Y156-V312 HydrophobicContact CE1-CB 4.21Å; Y156-V312 HydrophobicContact CE1-CG1 4.5Å; Y156-V312 HydrophobicContact CE1-CG2 3.77Å; Y156-V312 HydrophobicContact CE2-CG1 4.45Å; Y156-V312 HydrophobicContact CE2-CG2 4.15Å; Y156-V312 HydrophobicContact CG-CB 4.21Å; Y156-V312 HydrophobicContact CG-CG1 3.67Å; Y156-V312 HydrophobicContact CG-CG2 4.38Å
157	V	98.1	Very high	94.8	Very high	23 Å²	23	18.9 Å²	18.9	14%	0.139	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.6	-176.1	178.8	0	0	0	0	111.5	E142 T143 E144 Y203 Q286	E142-V157 HydrophobicContact CG-CG1 3.57Å; T143-V157 WeakPolarHBondContact O-CA 3.44Å; E144-V157 HydrophobicContact CB-CG2 4.16Å; E144-V157 HydrophobicContact CG-CG2 3.84Å; V157-Y203 HydrophobicContact CG1-CE1 4.29Å; V157-Q286 PolarHBondContact O-NE2 3.26Å
158	Q	97.5	Very high	94.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152	171.4	-63	178.3	75.4	0	0	110.1	T143 Y156 Q305	T143-Q158 PolarHBondContact N-O 2.95Å; T143-Q158 PolarHBondContact O-N 2.85Å; Y156-Q158 HydrophobicContact CD1-CG 4.06Å; Y156-Q158 HydrophobicContact CE1-CG 3.31Å; Q158-Q305 HydrophobicContact CB-CG 4.48Å; Q158-Q305 PolarHBondContact NE2-O 3.16Å
159	T	96.5	Very high	93.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.1	175.8	64.6	0	0	0	0	111.7	F140 V141 Y203 V289 L290 R291 I292	F140-T159 HydrophobicContact CE1-CG2 4.28Å; F140-T159 HydrophobicContact CE2-CG2 4.3Å; F140-T159 HydrophobicContact CZ-CG2 3.59Å; V141-T159 CarbonylContact O-C 3.38Å; V141-T159 WeakPolarHBondContact O-CA 3.12Å; T159-Y203 HydrophobicContact CG2-CE1 4.42Å; T159-Y203 HydrophobicContact CG2-CE2 3.91Å; T159-V289 HydrophobicContact CG2-CG2 3.8Å; T159-L290 PolarHBondContact N-O 3.14Å; T159-L290 VanDerWaalsContact O-O 3.09Å; T159-L290 PolarHBondContact OG1-O 3.22Å; T159-R291 WeakPolarHBondContact OG1-CA 3.37Å; T159-I292 PolarHBondContact O-N 2.99Å
160	R	95	Very high	91.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.9	167.6	64.8	171.2	-176.5	-139	7.5	111.6	F140 V141 I292 C297 T301 C347	F140-R160 CarbonylContact C-O 3.55Å; F140-R160 VanDerWaalsContact CA-O 3.26Å; F140-R160 WeakPolarHBondContact CA-O 3.18Å; V141-R160 HydrophobicContact CB-CG 3.85Å; V141-R160 HydrophobicContact CG2-CG 4.32Å; V141-R160 PolarHBondContact N-O 2.63Å; V141-R160 PolarHBondContact O-N 3.1Å; R160-I292 WeakPolarHBondContact CA-O 3.39Å; R160-I292 VanDerWaalsContact CB-O 3.23Å; R160-I292 WeakPolarHBondContact CB-O 3.33Å; R160-C297 PolarHBondContact NE-O 3.05Å; R160-T301 WeakPolarHBondContact CD-OG1 3.31Å; R160-C347 PolarHBondContact NH2-SG 2.8Å
161	G	92.4	Very high	90	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.			trans	178.4	167.9	173.6	0	0	0	0	0	113.3	N139 R291 I292 N293 C297	N139-G161 WeakPolarHBondContact O-CA 3.39Å; G161-R291 PolarHBondContact O-NH2 2.77Å; G161-I292 PolarHBondContact N-O 2.99Å; G161-N293 WeakPolarHBondContact O-CB 3.2Å; G161-C297 PolarHBondContact O-SG 3.13Å
162	S	93.3	Very high	88.1	Confident	3 Å²	3	18.9 Å²	18.9	2%	0.021	11%	0.107	C	C	.	.	S	Bend	trans	-55.9	146	177.5	176.1	0	0	0	0	111.7	G130 V137 A138 W167 R291	G130-S162 WeakPolarHBondContact CA-OG 3.44Å; G130-S162 PolarHBondContact N-OG 3.49Å; V137-S162 WeakPolarHBondContact CB-O 3.46Å; V137-S162 WeakPolarHBondContact CG1-O 3.32Å; A138-S162 WeakPolarHBondContact O-CB 3.44Å; A138-S162 PolarHBondContact O-N 2.8Å; S162-W167 VanDerWaalsContact OG-CZ2 3.29Å; S162-W167 WeakPolarHBondContact OG-CZ2 3.44Å; S162-W167 PolarHBondContact OG-NE1 3.23Å; S162-R291 PolarHBondContact O-NH2 2.8Å
163	V	95.1	Very high	85.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.			trans	-46.9	129	175.3	170.6	0	0	0	0	110.9	G130 L165 W167 L212 L221 Y225 N293	G130-V163 WeakPolarHBondContact CA-O 3.01Å; V163-L165 HydrophobicContact CG1-CB 4.17Å; V163-L165 HydrophobicContact CG1-CD1 3.74Å; V163-L165 HydrophobicContact CG1-CG 3.65Å; V163-L165 PolarHBondContact O-N 3.09Å; V163-W167 PolarHBondContact O-NE1 3.3Å; V163-W167 VanDerWaalsContact O-NE1 3.09Å; V163-L212 HydrophobicContact CG2-CD1 3.79Å; V163-L221 HydrophobicContact CB-CD1 4.42Å; V163-L221 HydrophobicContact CB-CD2 4.24Å; V163-L221 HydrophobicContact CB-CG 4.37Å; V163-L221 HydrophobicContact CG1-CD1 3.98Å; V163-L221 HydrophobicContact CG1-CG 4.19Å; V163-L221 HydrophobicContact CG2-CD2 4.05Å; V163-L221 HydrophobicContact CG2-CG 4.26Å; V163-Y225 HydrophobicContact CG1-CD1 3.93Å; V163-Y225 HydrophobicContact CG1-CD2 4.32Å; V163-Y225 HydrophobicContact CG1-CG 3.82Å; V163-Y225 HydrophobicContact CG2-CD1 4.24Å; V163-N293 HydrophobicContact CG2-CB 4.46Å; V163-N293 VanDerWaalsContact CG2-ND2 3.29Å; V163-N293 WeakPolarHBondContact CG2-ND2 3.32Å
164	P	94.4	Very high	83.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-79.3	50.5	-170.9	35.8	-39.2	0	0	0	112.7	V137 Y192 H195 Y225	V137-P164 HydrophobicContact CG1-CB 3.67Å; P164-Y192 HydrophobicContact CB-CD2 4.2Å; P164-Y192 HydrophobicContact CG-CD2 3.59Å; P164-Y192 HydrophobicContact CG-CE2 4.09Å; P164-H195 HydrophobicContact CB-CB 4.26Å; P164-Y225 VanDerWaalsContact CD-CE2 3.5Å; P164-Y225 HydrophobicContact CG-CD2 4.14Å; P164-Y225 HydrophobicContact CG-CE2 3.33Å
165	L	93.9	Very high	80.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-124.5	162.7	176.5	-56.5	178.3	0	0	0	109.6	G130 V131 V163 W167 L221 A224 V228	G130-L165 CarbonylContact C-O 3.48Å; G130-L165 WeakPolarHBondContact CA-O 3.34Å; V131-L165 PolarHBondContact N-O 2.66Å; V163-L165 HydrophobicContact CG1-CB 4.17Å; V163-L165 HydrophobicContact CG1-CD1 3.74Å; V163-L165 HydrophobicContact CG1-CG 3.65Å; V163-L165 PolarHBondContact O-N 3.09Å; L165-W167 VanDerWaalsContact O-CD1 3.25Å; L165-W167 PolarHBondContact O-N 3.22Å; L165-W167 VanDerWaalsContact O-N 3.08Å; L165-L221 HydrophobicContact CD1-CD1 4.1Å; L165-A224 HydrophobicContact CD1-CB 3.83Å; L165-V228 HydrophobicContact CD2-CB 3.78Å; L165-V228 HydrophobicContact CD2-CG1 3.87Å; L165-V228 HydrophobicContact CD2-CG2 3.64Å
166	F	88.7	Confident	78.3	Confident	9 Å²	9	36 Å²	36	4%	0.039	22%	0.221	C	C	.	.	S	Bend	trans	-78.6	92.2	172.3	-67.9	-70.9	0	0	0	110.4	V131 I181 N182 R183 S187 S188 A191	V131-F166 HydrophobicContact CG1-CD1 3.98Å; V131-F166 HydrophobicContact CG1-CD2 4.31Å; V131-F166 HydrophobicContact CG1-CE1 3.94Å; V131-F166 HydrophobicContact CG1-CE2 4.27Å; V131-F166 HydrophobicContact CG1-CG 4.17Å; V131-F166 HydrophobicContact CG1-CZ 4.09Å; V131-F166 WeakPolarHBondContact O-CD1 3.48Å; V131-F166 WeakPolarHBondContact O-CE1 3.43Å; F166-I181 CarbonylContact O-C 3.52Å; F166-N182 PolarHBondContact O-N 3.16Å; F166-R183 HydrophobicContact CB-CB 3.75Å; F166-R183 HydrophobicContact CB-CG 3.79Å; F166-R183 HydrophobicContact CD2-CB 4.03Å; F166-R183 HydrophobicContact CD2-CG 4.29Å; F166-R183 VanDerWaalsContact CE1-CZ 3.49Å; F166-R183 HydrophobicContact CG-CB 4.07Å; F166-R183 HydrophobicContact CG-CG 3.98Å; F166-S187 WeakPolarHBondContact CE2-O 3.29Å; F166-S188 PolarHBondContact N-OG 3.03Å; F166-A191 HydrophobicContact CE2-CB 3.63Å; F166-A191 HydrophobicContact CZ-CB 3.65Å
167	W	89.2	Confident	76.6	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.6	178.3	72.8	-81.5	0	0	0	112.1	R129 G130 S162 V163 L165 Q169 I179 K180 L221 L295	R129-W167 CarbonylContact C-O 3.52Å; R129-W167 VanDerWaalsContact C-O 3.29Å; R129-W167 HydrophobicContact CB-CD2 4.27Å; R129-W167 HydrophobicContact CB-CE3 4.24Å; R129-W167 HydrophobicContact CB-CH2 4.19Å; R129-W167 HydrophobicContact CB-CZ2 4.14Å; R129-W167 HydrophobicContact CB-CZ3 4.22Å; R129-W167 HydrophobicContact CG-CH2 4.3Å; R129-W167 HydrophobicContact CG-CZ3 4.39Å; G130-W167 VanDerWaalsContact CA-CD1 3.43Å; G130-W167 VanDerWaalsContact CA-NE1 3.34Å; G130-W167 PolarHBondContact N-O 3.37Å; S162-W167 VanDerWaalsContact OG-CZ2 3.29Å; S162-W167 WeakPolarHBondContact OG-CZ2 3.44Å; S162-W167 PolarHBondContact OG-NE1 3.23Å; V163-W167 PolarHBondContact O-NE1 3.3Å; V163-W167 VanDerWaalsContact O-NE1 3.09Å; L165-W167 VanDerWaalsContact O-CD1 3.25Å; L165-W167 PolarHBondContact O-N 3.22Å; L165-W167 VanDerWaalsContact O-N 3.08Å; W167-Q169 HydrophobicContact CZ3-CB 4.38Å; W167-I179 HydrophobicContact CE3-CG1 4.48Å; W167-I179 HydrophobicContact CE3-CG2 3.83Å; W167-I179 HydrophobicContact CZ3-CD1 4.44Å; W167-I179 HydrophobicContact CZ3-CG1 4.22Å; W167-I179 HydrophobicContact CZ3-CG2 4.4Å; W167-K180 CarbonylContact C-O 3.5Å; W167-K180 WeakPolarHBondContact CA-O 3.44Å; W167-K180 WeakPolarHBondContact CB-O 3.34Å; W167-L221 HydrophobicContact CB-CD1 4.16Å; W167-L221 HydrophobicContact CD2-CD1 4.07Å; W167-L221 HydrophobicContact CD2-CD2 3.83Å; W167-L221 HydrophobicContact CE3-CD2 4.04Å; W167-L221 HydrophobicContact CG-CD1 3.78Å; W167-L221 HydrophobicContact CG-CD2 4.41Å; W167-L221 HydrophobicContact CH2-CD2 3.92Å; W167-L221 HydrophobicContact CZ2-CD2 3.75Å; W167-L221 HydrophobicContact CZ3-CD2 4.07Å; W167-L295 HydrophobicContact CH2-CD1 3.6Å; W167-L295 HydrophobicContact CZ3-CD1 3.82Å
168	D	80.6	Confident	75.4	Confident	52 Å²	52	43.4 Å²	43.4	28%	0.278	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	178	170.8	69.5	23.5	0	0	0	112.5	P170 K180 N182	D168-P170 WeakPolarHBondContact OD1-CD 3.43Å; D168-K180 PolarHBondContact N-O 3.3Å; D168-K180 PolarHBondContact O-N 2.9Å; D168-K180 WeakPolarHBondContact OD1-CB 3.39Å; D168-N182 PolarHBondContact OD1-OD1 3.03Å; D168-N182 PolarHBondContact OD2-ND2 2.89Å; D168-N182 PolarHBondContact OD2-OD1 3.29Å
169	Q	77	Confident	74.5	Confident	15 Å²	15	44.5 Å²	44.5	7%	0.07	26%	0.257	C	S	.	.			trans	-142.1	86	176.8	-169.5	-179.2	30.7	0	0	107.9	W167 G171 H177	W167-Q169 HydrophobicContact CZ3-CB 4.38Å; Q169-G171 PolarHBondContact O-N 3.29Å; Q169-H177 HydrophobicContact CG-CB 3.86Å; Q169-H177 VanDerWaalsContact NE2-CB 3.26Å; Q169-H177 PolarHBondContact NE2-O 3.48Å
170	P	66.3	Low	73.7	Confident	77 Å²	77	48.8 Å²	48.8	50%	0.5	28%	0.276	S	S	.	.			trans	-62.4	125.5	-171.7	22.5	-31.2	0	0	0	111.3	D168	D168-P170 WeakPolarHBondContact OD1-CD 3.43Å
171	G	53.7	Low	73	Confident	10 Å²	10	51.2 Å²	51.2	10%	0.103	29%	0.289	C	S	.	.			trans	-97.1	21.2	-162.6	0	0	0	0	0	118.4	Q169	Q169-G171 PolarHBondContact O-N 3.29Å
172	I	52.3	Low	72	Confident	136 Å²	136	52.9 Å²	52.9	70%	0.697	30%	0.298	S	S	*	.			trans	-105.2	-13.5	-167.9	-59.1	176.8	0	0	0	114.4
173	Q	48	Very low	71.2	Confident	143 Å²	143	54 Å²	54	67%	0.668	30%	0.301	S	S	*	.	S	Bend	trans	-102.9	116.8	179.5	-69.2	-176.9	-16.2	0	0	112	G175	Q173-G175 PolarHBondContact O-N 3.42Å; Q173-G175 VanDerWaalsContact O-N 3.17Å
174	V	40	Very low	70.4	Confident	145 Å²	145	55.1 Å²	55.1	88%	0.879	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	113.7	172.7	-176	0	0	0	0	108.6
175	G	44	Very low	69.9	Low	78 Å²	78	57.2 Å²	57.2	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.6	-12	169.7	0	0	0	0	0	117.4	Q173	Q173-G175 PolarHBondContact O-N 3.42Å; Q173-G175 VanDerWaalsContact O-N 3.17Å
176	S	50.8	Low	69.1	Low	57 Å²	57	57.4 Å²	57.4	40%	0.399	32%	0.322	S	S	.	.			trans	-154.1	94	170.9	66.6	0	0	0	0	113.1	K178	S176-K178 VanDerWaalsContact C-N 3.28Å; S176-K178 PolarHBondContact O-N 3.35Å
177	H	61.9	Low	68.7	Low	59 Å²	59	57.3 Å²	57.3	27%	0.273	32%	0.323	S	S	.	.			trans	-80.4	74.4	170.9	-60.7	-67.1	0	0	0	110	F126 Q169	F126-H177 AromaticContact CE1-CE1 3.9Å; F126-H177 AromaticContact CE1-ND1 3.83Å; Q169-H177 HydrophobicContact CG-CB 3.86Å; Q169-H177 VanDerWaalsContact NE2-CB 3.26Å; Q169-H177 PolarHBondContact NE2-O 3.48Å
178	K	72	Confident	68.7	Low	123 Å²	123	57.2 Å²	57.2	54%	0.535	32%	0.322	S	S	.	.			trans	-71.7	138.8	-178.3	-67	-168	176.7	-173	0	111.4	S176 D217	S176-K178 VanDerWaalsContact C-N 3.28Å; S176-K178 PolarHBondContact O-N 3.35Å; K178-D217 WeakPolarHBondContact CA-OD2 3.29Å
179	I	79.9	Confident	69	Low	24 Å²	24	55 Å²	55	12%	0.123	31%	0.311	C	S	.	.			trans	-72.8	131.4	170	-64.4	176.4	0	0	0	108.1	W167 D217 L221 L295	W167-I179 HydrophobicContact CE3-CG1 4.48Å; W167-I179 HydrophobicContact CE3-CG2 3.83Å; W167-I179 HydrophobicContact CZ3-CD1 4.44Å; W167-I179 HydrophobicContact CZ3-CG1 4.22Å; W167-I179 HydrophobicContact CZ3-CG2 4.4Å; I179-D217 HydrophobicContact CB-CB 4.05Å; I179-D217 HydrophobicContact CD1-CB 3.88Å; I179-D217 WeakPolarHBondContact CD1-O 3.44Å; I179-D217 HydrophobicContact CG1-CB 3.89Å; I179-L221 HydrophobicContact CD1-CB 4.08Å; I179-L221 HydrophobicContact CD1-CD2 4.01Å; I179-L221 HydrophobicContact CG2-CB 4.33Å; I179-L221 HydrophobicContact CG2-CD1 4.49Å; I179-L221 HydrophobicContact CG2-CD2 4.47Å; I179-L295 HydrophobicContact CD1-CD1 3.36Å; I179-L295 HydrophobicContact CG1-CD1 4.03Å
180	K	78.2	Confident	69.4	Low	90 Å²	90	54.3 Å²	54.3	39%	0.391	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.8	171.8	-175.1	-171.2	172.5	-157.1	0	108.4	W167 D168 N182	W167-K180 CarbonylContact C-O 3.5Å; W167-K180 WeakPolarHBondContact CA-O 3.44Å; W167-K180 WeakPolarHBondContact CB-O 3.34Å; D168-K180 PolarHBondContact N-O 3.3Å; D168-K180 PolarHBondContact O-N 2.9Å; D168-K180 WeakPolarHBondContact OD1-CB 3.39Å; K180-N182 VanDerWaalsContact CD-OD1 3.3Å; K180-N182 WeakPolarHBondContact CD-OD1 3.29Å; K180-N182 WeakPolarHBondContact CG-OD1 3.44Å; K180-N182 PolarHBondContact O-N 3.14Å
181	I	80.4	Confident	70.4	Confident	53 Å²	53	50.6 Å²	50.6	27%	0.272	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.3	165.8	-58.6	178	0	0	0	105.8	F166 R183 L185 I220 A224	F166-I181 CarbonylContact O-C 3.52Å; I181-R183 VanDerWaalsContact CG2-O 3.23Å; I181-R183 WeakPolarHBondContact CG2-O 3.46Å; I181-L185 HydrophobicContact CG2-CD2 4.49Å; I181-I220 HydrophobicContact CD1-CG2 4.33Å; I181-A224 HydrophobicContact CD1-CB 3.59Å
182	N	72	Confident	72.2	Confident	35 Å²	35	50.1 Å²	50.1	19%	0.187	28%	0.279	C	S	.	.			trans	-80.6	-39.9	-169.9	-70.9	-22.1	0	0	0	111.7	F166 D168 K180 E546	F166-N182 PolarHBondContact O-N 3.16Å; D168-N182 PolarHBondContact OD1-OD1 3.03Å; D168-N182 PolarHBondContact OD2-ND2 2.89Å; D168-N182 PolarHBondContact OD2-OD1 3.29Å; K180-N182 VanDerWaalsContact CD-OD1 3.3Å; K180-N182 WeakPolarHBondContact CD-OD1 3.29Å; K180-N182 WeakPolarHBondContact CG-OD1 3.44Å; K180-N182 PolarHBondContact O-N 3.14Å; N182-E546 VanDerWaalsContact O-CD 3.27Å
183	R	77.2	Confident	73.9	Confident	26 Å²	26	43.7 Å²	43.7	10%	0.098	25%	0.246	C	C	.	.	S	Bend	trans	-115.6	166.6	-178.8	-53.4	-171.9	-165.4	169.6	1.5	111.1	D133 F166 I181 V545 V570	D133-R183 IonicContact OD1-CZ 3.25Å; D133-R183 IonicContact OD1-NH1 2.95Å; D133-R183 PolarHBondContact OD1-NH1 2.82Å; D133-R183 IonicContact OD1-NH2 2.8Å; D133-R183 PolarHBondContact OD1-NH2 3.08Å; D133-R183 IonicContact OD2-CZ 2.78Å; D133-R183 IonicContact OD2-NH1 3.34Å; D133-R183 IonicContact OD2-NH2 2.77Å; D133-R183 PolarHBondContact OD2-NH2 3.05Å; F166-R183 HydrophobicContact CB-CB 3.75Å; F166-R183 HydrophobicContact CB-CG 3.79Å; F166-R183 HydrophobicContact CD2-CB 4.03Å; F166-R183 HydrophobicContact CD2-CG 4.29Å; F166-R183 VanDerWaalsContact CE1-CZ 3.49Å; F166-R183 HydrophobicContact CG-CB 4.07Å; F166-R183 HydrophobicContact CG-CG 3.98Å; I181-R183 VanDerWaalsContact CG2-O 3.23Å; I181-R183 WeakPolarHBondContact CG2-O 3.46Å; R183-V545 WeakPolarHBondContact CB-O 3.49Å; R183-V545 WeakPolarHBondContact CG-O 3.39Å; R183-V570 VanDerWaalsContact CZ-CB 3.41Å; R183-V570 VanDerWaalsContact CZ-CG2 3.45Å; R183-V570 VanDerWaalsContact NH2-CB 3.33Å; R183-V570 PolarHBondContact NH2-O 2.91Å
184	S	77.8	Confident	75.7	Confident	23 Å²	23	38.3 Å²	38.3	16%	0.161	22%	0.22	C	C	.	.			trans	-58	157.3	174.4	65.1	0	0	0	0	112.2	G186 S187 S188 V543 L544	S184-G186 PolarHBondContact O-N 3.01Å; S184-S187 PolarHBondContact O-N 3.06Å; S184-S187 PolarHBondContact OG-N 3.25Å; S184-S187 VanDerWaalsContact OG-N 3.13Å; S184-S187 PolarHBondContact OG-OG 3.47Å; S184-S187 VanDerWaalsContact OG-OG 3.12Å; S184-S188 PolarHBondContact O-N 2.99Å; S184-S188 PolarHBondContact O-OG 3.37Å; S184-V543 WeakPolarHBondContact OG-CG1 3.32Å; S184-L544 WeakPolarHBondContact CB-O 3.25Å; S184-L544 PolarHBondContact OG-O 2.81Å
185	L	84	Confident	78.1	Confident	44 Å²	44	31.4 Å²	31.4	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-32.8	171.6	-60	-175.8	0	0	0	111	I181 S188 A189 A224 V228 L896	I181-L185 HydrophobicContact CG2-CD2 4.49Å; L185-S188 CarbonylContact O-C 3.35Å; L185-S188 WeakPolarHBondContact O-CA 3.24Å; L185-S188 WeakPolarHBondContact O-CB 3.4Å; L185-S188 PolarHBondContact O-N 3.48Å; L185-S188 VanDerWaalsContact O-N 3.09Å; L185-A189 PolarHBondContact O-N 2.99Å; L185-A224 HydrophobicContact CD2-CB 3.72Å; L185-V228 HydrophobicContact CB-CG2 3.94Å; L185-V228 HydrophobicContact CD2-CG2 4.15Å; L185-L896 VanDerWaalsContact C-CD1 3.43Å; L185-L896 HydrophobicContact CB-CD1 3.92Å; L185-L896 WeakPolarHBondContact O-CD1 3.09Å
186	G	77.1	Confident	80.3	Confident	4 Å²	4	27.7 Å²	27.7	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-46.2	174.3	0	0	0	0	0	112.8	S184 S188 A189	S184-G186 PolarHBondContact O-N 3.01Å; G186-S188 VanDerWaalsContact C-N 3.3Å; G186-S188 PolarHBondContact O-N 3.15Å; G186-A189 WeakPolarHBondContact O-CB 3.44Å; G186-A189 PolarHBondContact O-N 3.46Å
187	S	80.8	Confident	82	Confident	8 Å²	8	26.2 Å²	26.2	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-40.9	171.1	-56.8	0	0	0	0	111.8	F166 S184 A189 A190 A191	F166-S187 WeakPolarHBondContact CE2-O 3.29Å; S184-S187 PolarHBondContact O-N 3.06Å; S184-S187 PolarHBondContact OG-N 3.25Å; S184-S187 VanDerWaalsContact OG-N 3.13Å; S184-S187 PolarHBondContact OG-OG 3.47Å; S184-S187 VanDerWaalsContact OG-OG 3.12Å; S187-A189 VanDerWaalsContact C-N 3.28Å; S187-A189 PolarHBondContact O-N 3.4Å; S187-A190 PolarHBondContact O-N 2.98Å; S187-A191 PolarHBondContact O-N 3.47Å
188	S	89.4	Confident	83.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-28.8	178.3	-59.3	0	0	0	0	113.1	F166 S184 L185 G186 A191 Y192	F166-S188 PolarHBondContact N-OG 3.03Å; S184-S188 PolarHBondContact O-N 2.99Å; S184-S188 PolarHBondContact O-OG 3.37Å; L185-S188 CarbonylContact O-C 3.35Å; L185-S188 WeakPolarHBondContact O-CA 3.24Å; L185-S188 WeakPolarHBondContact O-CB 3.4Å; L185-S188 PolarHBondContact O-N 3.48Å; L185-S188 VanDerWaalsContact O-N 3.09Å; G186-S188 VanDerWaalsContact C-N 3.3Å; G186-S188 PolarHBondContact O-N 3.15Å; S188-A191 PolarHBondContact O-N 3.04Å; S188-Y192 WeakPolarHBondContact O-CB 3.23Å; S188-Y192 PolarHBondContact O-N 3.44Å
189	A	87.3	Confident	84	Confident	4 Å²	4	18.7 Å²	18.7	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-64.4	-42.1	175.8	0	0	0	0	0	113	L185 G186 S187 Y192 S193 V228 L896	L185-A189 PolarHBondContact O-N 2.99Å; G186-A189 WeakPolarHBondContact O-CB 3.44Å; G186-A189 PolarHBondContact O-N 3.46Å; S187-A189 VanDerWaalsContact C-N 3.28Å; S187-A189 PolarHBondContact O-N 3.4Å; A189-Y192 PolarHBondContact O-N 3.25Å; A189-S193 WeakPolarHBondContact O-CB 3.45Å; A189-S193 PolarHBondContact O-N 3.46Å; A189-V228 HydrophobicContact CB-CG1 4.16Å; A189-L896 HydrophobicContact CB-CD1 3.59Å
190	A	84.4	Confident	84.4	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-47.4	175.5	0	0	0	0	0	111.1	S187 Y192 S193 R194 I564 E889	S187-A190 PolarHBondContact O-N 2.98Å; A190-Y192 PolarHBondContact O-N 3.4Å; A190-S193 WeakPolarHBondContact O-CB 3.5Å; A190-S193 PolarHBondContact O-N 2.98Å; A190-R194 PolarHBondContact O-N 3.41Å; A190-R194 PolarHBondContact O-NH1 3.19Å; A190-I564 HydrophobicContact CB-CG2 4.11Å; A190-E889 HydrophobicContact CB-CB 4.1Å; A190-E889 HydrophobicContact CB-CG 4.35Å
191	A	86.8	Confident	84.6	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-35	177.1	0	0	0	0	0	113.5	V131 G135 F166 S187 S188 H195	V131-A191 HydrophobicContact CB-CB 4.45Å; V131-A191 HydrophobicContact CG1-CB 3.51Å; V131-A191 HydrophobicContact CG2-CB 4.09Å; G135-A191 WeakPolarHBondContact CA-O 3.25Å; F166-A191 HydrophobicContact CE2-CB 3.63Å; F166-A191 HydrophobicContact CZ-CB 3.65Å; S187-A191 PolarHBondContact O-N 3.47Å; S188-A191 PolarHBondContact O-N 3.04Å; A191-H195 PolarHBondContact O-N 2.97Å
192	Y	92.1	Very high	84.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-44.3	173.9	170.8	-100.1	0	0	0	111.9	P164 S188 A189 A190 R194 H195 I196 I208 Y225 V228 H229 F232	P164-Y192 HydrophobicContact CB-CD2 4.2Å; P164-Y192 HydrophobicContact CG-CD2 3.59Å; P164-Y192 HydrophobicContact CG-CE2 4.09Å; S188-Y192 WeakPolarHBondContact O-CB 3.23Å; S188-Y192 PolarHBondContact O-N 3.44Å; A189-Y192 PolarHBondContact O-N 3.25Å; A190-Y192 PolarHBondContact O-N 3.4Å; Y192-R194 PolarHBondContact O-N 2.93Å; Y192-H195 WeakPolarHBondContact O-CB 2.86Å; Y192-H195 PolarHBondContact O-N 3.49Å; Y192-H195 VanDerWaalsContact O-N 3.16Å; Y192-I196 HydrophobicContact CD1-CG1 4.4Å; Y192-I196 HydrophobicContact CD2-CG1 4.12Å; Y192-I196 HydrophobicContact CE1-CG1 3.86Å; Y192-I196 HydrophobicContact CE2-CD1 3.8Å; Y192-I196 HydrophobicContact CE2-CG1 3.55Å; Y192-I196 VanDerWaalsContact CZ-CG1 3.41Å; Y192-I196 WeakPolarHBondContact O-CG1 3.26Å; Y192-I196 PolarHBondContact O-N 3.09Å; Y192-I208 HydrophobicContact CE2-CD1 4.17Å; Y192-I208 VanDerWaalsContact OH-CD1 3.3Å; Y192-I208 WeakPolarHBondContact OH-CD1 3.46Å; Y192-Y225 AromaticContact CD2-CE2 3.91Å; Y192-Y225 HydrophobicContact CD2-CE2 3.91Å; Y192-Y225 AromaticContact CE2-CE2 3.58Å; Y192-Y225 HydrophobicContact CE2-CE2 3.58Å; Y192-V228 HydrophobicContact CD1-CG1 3.91Å; Y192-V228 HydrophobicContact CG-CG1 3.75Å; Y192-H229 AromaticContact CZ-ND1 3.88Å; Y192-H229 PolarHBondContact OH-ND1 3.3Å; Y192-F232 HydrophobicContact CD1-CB 4.32Å; Y192-F232 HydrophobicContact CD1-CD2 4.29Å; Y192-F232 HydrophobicContact CD1-CG 4.28Å; Y192-F232 HydrophobicContact CE1-CB 3.78Å; Y192-F232 HydrophobicContact CE1-CD1 4.09Å; Y192-F232 HydrophobicContact CE1-CD2 4.19Å; Y192-F232 AromaticContact CE1-CG 3.76Å; Y192-F232 HydrophobicContact CE1-CG 3.76Å
193	S	88.7	Confident	85.7	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-54.1	-52.3	175.1	179.1	0	0	0	0	110.8	A189 A190 H195 I196 Q197 F232	A189-S193 WeakPolarHBondContact O-CB 3.45Å; A189-S193 PolarHBondContact O-N 3.46Å; A190-S193 WeakPolarHBondContact O-CB 3.5Å; A190-S193 PolarHBondContact O-N 2.98Å; S193-H195 VanDerWaalsContact C-N 3.33Å; S193-H195 PolarHBondContact O-N 3.18Å; S193-I196 PolarHBondContact O-N 3.45Å; S193-Q197 WeakPolarHBondContact O-CG 3.47Å; S193-Q197 PolarHBondContact O-N 3.12Å; S193-Q197 PolarHBondContact OG-NE2 3.3Å; S193-F232 WeakPolarHBondContact OG-CE2 3.43Å
194	R	84.6	Confident	86.4	Confident	30 Å²	30	19.7 Å²	19.7	11%	0.113	11%	0.109	C	C	.	.	H	α-helix	trans	-56.6	-44.6	175.1	-68.6	-171.2	-76.4	-81.1	8.2	112.8	D133 A190 Y192 I196 W198 E889	D133-R194 PolarHBondContact O-NE 2.91Å; D133-R194 PolarHBondContact O-NH2 2.85Å; A190-R194 PolarHBondContact O-N 3.41Å; A190-R194 PolarHBondContact O-NH1 3.19Å; Y192-R194 PolarHBondContact O-N 2.93Å; R194-I196 PolarHBondContact O-N 2.95Å; R194-W198 VanDerWaalsContact O-CB 3.23Å; R194-W198 WeakPolarHBondContact O-CB 3.33Å; R194-W198 PolarHBondContact O-N 3.4Å; R194-E889 WeakPolarHBondContact CG-OE1 3.41Å; R194-E889 IonicContact CZ-OE1 2.78Å; R194-E889 IonicContact NH1-OE1 3.31Å; R194-E889 PolarHBondContact NH1-OE1 3.01Å; R194-E889 IonicContact NH1-OE2 3.92Å; R194-E889 PolarHBondContact NH1-OE2 3.43Å
195	H	90.5	Very high	87.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-46.6	178.7	-177.4	59.5	0	0	0	112.2	G135 P164 A191 Y192 S193 W198 L199	G135-H195 VanDerWaalsContact O-CB 3.27Å; G135-H195 WeakPolarHBondContact O-CB 3.37Å; G135-H195 PolarHBondContact O-ND1 2.88Å; P164-H195 HydrophobicContact CB-CB 4.26Å; A191-H195 PolarHBondContact O-N 2.97Å; Y192-H195 WeakPolarHBondContact O-CB 2.86Å; Y192-H195 PolarHBondContact O-N 3.49Å; Y192-H195 VanDerWaalsContact O-N 3.16Å; S193-H195 VanDerWaalsContact C-N 3.33Å; S193-H195 PolarHBondContact O-N 3.18Å; H195-W198 AromaticContact ND1-CE3 3.99Å; H195-L199 WeakPolarHBondContact O-CG 2.97Å; H195-L199 PolarHBondContact O-N 3.01Å
196	I	91.5	Very high	87.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.2	-45.4	-179	-69.8	-59.1	0	0	0	111.5	Y192 S193 R194 W198 L199 K200 V206 I208 F232 I238	Y192-I196 HydrophobicContact CD1-CG1 4.4Å; Y192-I196 HydrophobicContact CD2-CG1 4.12Å; Y192-I196 HydrophobicContact CE1-CG1 3.86Å; Y192-I196 HydrophobicContact CE2-CD1 3.8Å; Y192-I196 HydrophobicContact CE2-CG1 3.55Å; Y192-I196 VanDerWaalsContact CZ-CG1 3.41Å; Y192-I196 WeakPolarHBondContact O-CG1 3.26Å; Y192-I196 PolarHBondContact O-N 3.09Å; S193-I196 PolarHBondContact O-N 3.45Å; R194-I196 PolarHBondContact O-N 2.95Å; I196-W198 VanDerWaalsContact C-N 3.28Å; I196-W198 PolarHBondContact O-N 3.28Å; I196-L199 HydrophobicContact CD1-CD1 4.5Å; I196-L199 PolarHBondContact O-N 3.47Å; I196-K200 HydrophobicContact CG2-CD 4.11Å; I196-K200 HydrophobicContact CG2-CG 4.37Å; I196-K200 WeakPolarHBondContact O-CG 2.78Å; I196-K200 PolarHBondContact O-N 3.47Å; I196-V206 HydrophobicContact CD1-CG1 4.49Å; I196-I208 HydrophobicContact CD1-CD1 4.14Å; I196-F232 HydrophobicContact CG2-CE1 3.95Å; I196-F232 HydrophobicContact CG2-CZ 4.21Å; I196-I238 HydrophobicContact CG2-CD1 3.4Å; I196-I238 HydrophobicContact CG2-CG1 4.34Å
197	Q	85.8	Confident	88.8	Confident	25 Å²	25	20 Å²	20	12%	0.117	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-41.1	177.7	-70.7	168.8	-0.5	0	0	111.1	S193 K200 S201 F885 E888	S193-Q197 WeakPolarHBondContact O-CG 3.47Å; S193-Q197 PolarHBondContact O-N 3.12Å; S193-Q197 PolarHBondContact OG-NE2 3.3Å; Q197-K200 PolarHBondContact O-N 3.49Å; Q197-S201 WeakPolarHBondContact O-CB 3.34Å; Q197-S201 PolarHBondContact O-N 3.21Å; Q197-F885 VanDerWaalsContact CD-CD1 3.48Å; Q197-F885 VanDerWaalsContact CD-CG 3.45Å; Q197-F885 HydrophobicContact CG-CD1 4.43Å; Q197-F885 VanDerWaalsContact NE2-CG 3.35Å; Q197-E888 PolarHBondContact NE2-OE2 3.32Å
198	W	85.3	Confident	89.6	Confident	25 Å²	25	19.7 Å²	19.7	10%	0.095	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-49	173.1	171.7	72.9	0	0	0	111.9	F140 R194 H195 I196 K200 S201 L202	F140-W198 AromaticContact CD1-CH2 3.85Å; F140-W198 HydrophobicContact CD1-CH2 3.85Å; F140-W198 HydrophobicContact CD1-CZ3 4.49Å; F140-W198 HydrophobicContact CD2-CH2 4.26Å; F140-W198 HydrophobicContact CD2-CZ3 4.09Å; F140-W198 AromaticContact CE1-CH2 3.53Å; F140-W198 HydrophobicContact CE1-CH2 3.53Å; F140-W198 HydrophobicContact CE1-CZ3 4.12Å; F140-W198 AromaticContact CE2-CH2 3.97Å; F140-W198 HydrophobicContact CE2-CH2 3.97Å; F140-W198 AromaticContact CE2-CZ3 3.69Å; F140-W198 HydrophobicContact CE2-CZ3 3.69Å; F140-W198 HydrophobicContact CG-CH2 4.19Å; F140-W198 HydrophobicContact CG-CZ3 4.45Å; F140-W198 AromaticContact CZ-CH2 3.57Å; F140-W198 HydrophobicContact CZ-CH2 3.57Å; F140-W198 AromaticContact CZ-CZ3 3.69Å; F140-W198 HydrophobicContact CZ-CZ3 3.69Å; R194-W198 VanDerWaalsContact O-CB 3.23Å; R194-W198 WeakPolarHBondContact O-CB 3.33Å; R194-W198 PolarHBondContact O-N 3.4Å; H195-W198 AromaticContact ND1-CE3 3.99Å; I196-W198 VanDerWaalsContact C-N 3.28Å; I196-W198 PolarHBondContact O-N 3.28Å; W198-K200 PolarHBondContact O-N 3.37Å; W198-S201 PolarHBondContact O-N 3.35Å; W198-S201 PolarHBondContact O-OG 2.96Å; W198-L202 HydrophobicContact CD2-CD1 4.19Å; W198-L202 VanDerWaalsContact CE2-CD1 3.46Å; W198-L202 HydrophobicContact CH2-CD1 4.35Å; W198-L202 HydrophobicContact CZ2-CD1 3.57Å; W198-L202 PolarHBondContact O-N 3.42Å
199	L	90.1	Very high	90	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-44.5	175.1	-71.7	176.3	0	0	0	112.2	F140 H195 I196 S201 L202 Y203 V206 R291	F140-L199 HydrophobicContact CE2-CD2 3.78Å; F140-L199 HydrophobicContact CZ-CD2 3.78Å; H195-L199 WeakPolarHBondContact O-CG 2.97Å; H195-L199 PolarHBondContact O-N 3.01Å; I196-L199 HydrophobicContact CD1-CD1 4.5Å; I196-L199 PolarHBondContact O-N 3.47Å; L199-S201 VanDerWaalsContact C-N 3.29Å; L199-S201 PolarHBondContact O-N 2.83Å; L199-L202 PolarHBondContact O-N 3.06Å; L199-Y203 HydrophobicContact CB-CD2 4.43Å; L199-Y203 HydrophobicContact CD2-CD2 3.89Å; L199-Y203 HydrophobicContact CD2-CE2 3.66Å; L199-Y203 VanDerWaalsContact O-CD2 3.32Å; L199-Y203 WeakPolarHBondContact O-CD2 3.02Å; L199-Y203 PolarHBondContact O-N 3.21Å; L199-V206 HydrophobicContact CB-CG2 3.75Å; L199-V206 HydrophobicContact CD1-CG1 4.14Å; L199-R291 HydrophobicContact CD1-CB 4.2Å; L199-R291 HydrophobicContact CD1-CG 3.68Å
200	K	89.3	Confident	90.5	Very high	65 Å²	65	19.5 Å²	19.5	28%	0.283	10%	0.104	S	C	.	.	H	α-helix	trans	-63.6	-36.7	179.3	-68.1	-176.5	89.3	169.8	0	111.9	I196 Q197 W198 L202 G204 V206 S237	I196-K200 HydrophobicContact CG2-CD 4.11Å; I196-K200 HydrophobicContact CG2-CG 4.37Å; I196-K200 WeakPolarHBondContact O-CG 2.78Å; I196-K200 PolarHBondContact O-N 3.47Å; Q197-K200 PolarHBondContact O-N 3.49Å; W198-K200 PolarHBondContact O-N 3.37Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.97Å; K200-G204 VanDerWaalsContact CA-O 3.23Å; K200-G204 WeakPolarHBondContact CA-O 3.17Å; K200-G204 WeakPolarHBondContact CG-O 3.24Å; K200-G204 WeakPolarHBondContact O-CA 3.47Å; K200-G204 PolarHBondContact O-N 2.7Å; K200-V206 HydrophobicContact CG-CB 4.49Å; K200-V206 HydrophobicContact CG-CG2 3.76Å; K200-S237 PolarHBondContact NZ-OG 2.84Å
201	S	81.2	Confident	91.1	Very high	46 Å²	46	19.5 Å²	19.5	32%	0.322	10%	0.104	S	C	.	.	H	α-helix	trans	-64.1	-31.8	176.4	81.7	0	0	0	0	113.2	Q197 W198 L199	Q197-S201 WeakPolarHBondContact O-CB 3.34Å; Q197-S201 PolarHBondContact O-N 3.21Å; W198-S201 PolarHBondContact O-N 3.35Å; W198-S201 PolarHBondContact O-OG 2.96Å; L199-S201 VanDerWaalsContact C-N 3.29Å; L199-S201 PolarHBondContact O-N 2.83Å
202	L	83.2	Confident	91.4	Very high	74 Å²	74	19.6 Å²	19.6	39%	0.387	11%	0.105	S	C	.	.	H	α-helix	trans	-90	-40.4	-177.9	-68.2	179.9	0	0	0	113	W198 L199 K200	W198-L202 HydrophobicContact CD2-CD1 4.19Å; W198-L202 VanDerWaalsContact CE2-CD1 3.46Å; W198-L202 HydrophobicContact CH2-CD1 4.35Å; W198-L202 HydrophobicContact CZ2-CD1 3.57Å; W198-L202 PolarHBondContact O-N 3.42Å; L199-L202 PolarHBondContact O-N 3.06Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.97Å
203	Y	92.5	Very high	91.3	Very high	35 Å²	35	20 Å²	20	14%	0.137	11%	0.109	C	C	.	.	H	α-helix	trans	-118.4	-11.2	-165.7	-54.9	-68.3	0	0	0	114.6	F140 E142 V157 T159 L199 N287 G288 V289	F140-Y203 HydrophobicContact CZ-CE2 4.38Å; E142-Y203 WeakPolarHBondContact OE2-CE1 3.47Å; E142-Y203 PolarHBondContact OE2-OH 2.99Å; V157-Y203 HydrophobicContact CG1-CE1 4.29Å; T159-Y203 HydrophobicContact CG2-CE1 4.42Å; T159-Y203 HydrophobicContact CG2-CE2 3.91Å; L199-Y203 HydrophobicContact CB-CD2 4.43Å; L199-Y203 HydrophobicContact CD2-CD2 3.89Å; L199-Y203 HydrophobicContact CD2-CE2 3.66Å; L199-Y203 VanDerWaalsContact O-CD2 3.32Å; L199-Y203 WeakPolarHBondContact O-CD2 3.02Å; L199-Y203 PolarHBondContact O-N 3.21Å; Y203-N287 CarbonylContact O-C 3.58Å; Y203-G288 WeakPolarHBondContact O-CA 3.44Å; Y203-G288 PolarHBondContact O-N 3.04Å; Y203-G288 VanDerWaalsContact O-N 3.09Å; Y203-V289 HydrophobicContact CD1-CB 4.4Å; Y203-V289 HydrophobicContact CD1-CG1 4.5Å; Y203-V289 HydrophobicContact CD2-CB 4.41Å; Y203-V289 HydrophobicContact CD2-CG1 3.67Å; Y203-V289 HydrophobicContact CG-CB 3.95Å; Y203-V289 HydrophobicContact CG-CG1 3.65Å; Y203-V289 HydrophobicContact CG-CG2 4.45Å
204	G	92.2	Very high	91.2	Very high	29 Å²	29	23.4 Å²	23.4	30%	0.299	13%	0.132	S	C	.	.	S	Bend	trans	84.3	-123.5	-171.6	0	0	0	0	0	112.1	K200	K200-G204 VanDerWaalsContact CA-O 3.23Å; K200-G204 WeakPolarHBondContact CA-O 3.17Å; K200-G204 WeakPolarHBondContact CG-O 3.24Å; K200-G204 WeakPolarHBondContact O-CA 3.47Å; K200-G204 PolarHBondContact O-N 2.7Å
205	D	95.6	Very high	91.3	Very high	78 Å²	78	30.3 Å²	30.3	42%	0.417	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	147.9	-178.5	-72.4	-29.5	0	0	0	112.4	F268 N287 G288 V289	D205-F268 HydrophobicContact CB-CE2 4.04Å; D205-F268 HydrophobicContact CB-CZ 4.1Å; D205-N287 PolarHBondContact N-O 3.42Å; D205-G288 CarbonylContact O-C 3.53Å; D205-G288 WeakPolarHBondContact O-CA 2.99Å; D205-V289 PolarHBondContact O-N 3.13Å
206	V	96.4	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.7	-177.3	179.6	0	0	0	0	109.8	I196 L199 K200 V289 R291	I196-V206 HydrophobicContact CD1-CG1 4.49Å; L199-V206 HydrophobicContact CB-CG2 3.75Å; L199-V206 HydrophobicContact CD1-CG1 4.14Å; K200-V206 HydrophobicContact CG-CB 4.49Å; K200-V206 HydrophobicContact CG-CG2 3.76Å; V206-V289 HydrophobicContact CG2-CG1 4.32Å; V206-R291 HydrophobicContact CG1-CB 4.2Å
207	A	97.6	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.6	166.6	0	0	0	0	0	111	P239 F241 F268 V289 L290 R291	A207-P239 WeakPolarHBondContact CA-O 3.4Å; A207-P239 HydrophobicContact CB-CB 4.13Å; A207-P239 HydrophobicContact CB-CG 4.36Å; A207-F241 HydrophobicContact CB-CE2 4.04Å; A207-F268 HydrophobicContact CB-CD1 3.69Å; A207-F268 HydrophobicContact CB-CD2 3.93Å; A207-F268 HydrophobicContact CB-CE1 3.52Å; A207-F268 HydrophobicContact CB-CE2 3.77Å; A207-F268 HydrophobicContact CB-CG 3.89Å; A207-F268 HydrophobicContact CB-CZ 3.57Å; A207-V289 PolarHBondContact N-O 3.01Å; A207-V289 VanDerWaalsContact N-O 3.15Å; A207-L290 HydrophobicContact CB-CD2 4Å; A207-R291 PolarHBondContact O-N 3.39Å
208	I	97.9	Very high	90.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.1	-178	-63.6	163.4	0	0	0	109.4	Y192 I196 Y225 I238 P239 F240 F241 R291	Y192-I208 HydrophobicContact CE2-CD1 4.17Å; Y192-I208 VanDerWaalsContact OH-CD1 3.3Å; Y192-I208 WeakPolarHBondContact OH-CD1 3.46Å; I196-I208 HydrophobicContact CD1-CD1 4.14Å; I208-Y225 HydrophobicContact CG2-CE1 3.78Å; I208-Y225 WeakPolarHBondContact CG2-OH 3.24Å; I208-I238 HydrophobicContact CD1-CG2 3.82Å; I208-I238 HydrophobicContact CG1-CG2 4.11Å; I208-P239 PolarHBondContact N-O 3.23Å; I208-F240 HydrophobicContact CB-CD2 3.86Å; I208-F240 HydrophobicContact CB-CE2 4.3Å; I208-F240 HydrophobicContact CB-CG 4.36Å; I208-F240 HydrophobicContact CD1-CD2 3.72Å; I208-F240 HydrophobicContact CD1-CE2 4.14Å; I208-F240 HydrophobicContact CG1-CD2 4.41Å; I208-F240 HydrophobicContact CG2-CD2 3.71Å; I208-F240 HydrophobicContact CG2-CE2 3.63Å; I208-F240 HydrophobicContact CG2-CG 4.33Å; I208-F240 HydrophobicContact CG2-CZ 4.18Å; I208-F241 WeakPolarHBondContact O-CD2 3.34Å; I208-F241 PolarHBondContact O-N 2.64Å; I208-R291 WeakPolarHBondContact CA-O 3.4Å
209	V	97.8	Very high	91	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104.2	172.1	-174.4	0	0	0	0	109.1	L211 F241 L261 L265 L290 R291 I292 N293	V209-L211 HydrophobicContact CG1-CD2 3.8Å; V209-L211 HydrophobicContact CG1-CG 4.37Å; V209-F241 HydrophobicContact CG2-CD2 4.47Å; V209-L261 HydrophobicContact CG1-CD1 4.04Å; V209-L261 HydrophobicContact CG1-CD2 4.23Å; V209-L265 HydrophobicContact CG2-CD1 4.07Å; V209-L265 HydrophobicContact CG2-CD2 3.75Å; V209-L290 HydrophobicContact CG2-CD2 4.36Å; V209-R291 PolarHBondContact N-O 2.69Å; V209-I292 HydrophobicContact CB-CB 4.41Å; V209-I292 HydrophobicContact CB-CG1 3.92Å; V209-I292 HydrophobicContact CB-CG2 4.39Å; V209-I292 HydrophobicContact CG2-CG1 4.17Å; V209-I292 WeakPolarHBondContact O-CA 3.4Å; V209-N293 PolarHBondContact O-N 2.61Å; V209-N293 PolarHBondContact O-OD1 3.26Å
210	N	97.1	Very high	90.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.2	-177.4	179.6	32.2	0	0	0	110.7	L212 S222 F240 F241 F243 N293	N210-L212 WeakPolarHBondContact OD1-CB 3.03Å; N210-L212 WeakPolarHBondContact OD1-CD1 3.37Å; N210-L212 VanDerWaalsContact OD1-CG 3.32Å; N210-L212 WeakPolarHBondContact OD1-CG 3.31Å; N210-L212 PolarHBondContact OD1-N 2.8Å; N210-S222 PolarHBondContact ND2-OG 3.43Å; N210-F240 HydrophobicContact CB-CE1 3.83Å; N210-F240 HydrophobicContact CB-CZ 3.9Å; N210-F241 PolarHBondContact N-O 2.9Å; N210-F243 PolarHBondContact O-N 3.44Å; N210-N293 PolarHBondContact OD1-ND2 2.93Å
211	L	96.1	Very high	90.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.			trans	-96.3	13.5	-177.8	-51.6	176.7	0	0	0	114.3	V209 F243 L245 L261 I292 N293 C294 R300 T301 A304	V209-L211 HydrophobicContact CG1-CD2 3.8Å; V209-L211 HydrophobicContact CG1-CG 4.37Å; L211-F243 VanDerWaalsContact CA-O 3.3Å; L211-F243 WeakPolarHBondContact CA-O 3.31Å; L211-F243 HydrophobicContact CD2-CB 4.22Å; L211-F243 HydrophobicContact CD2-CD1 4.21Å; L211-L245 HydrophobicContact CB-CB 4.41Å; L211-L245 HydrophobicContact CD1-CD2 4.31Å; L211-L245 HydrophobicContact CD2-CB 4.45Å; L211-L261 HydrophobicContact CD2-CD2 4.26Å; L211-I292 HydrophobicContact CD1-CG2 3.75Å; L211-I292 HydrophobicContact CG-CG2 4.2Å; L211-N293 WeakPolarHBondContact CB-O 3.24Å; L211-N293 WeakPolarHBondContact CG-O 3.36Å; L211-N293 PolarHBondContact N-O 2.81Å; L211-C294 HydrophobicContact CB-CB 4.22Å; L211-C294 PolarHBondContact O-SG 2.57Å; L211-R300 PolarHBondContact O-NH1 2.86Å; L211-T301 HydrophobicContact CD1-CG2 4.42Å; L211-A304 HydrophobicContact CD1-CB 3.75Å
212	L	93.7	Very high	91.5	Very high	3 Å²	3	33 Å²	33	2%	0.016	19%	0.192	C	C	.	.			trans	-65.2	151.4	178.3	-74.8	176	0	0	0	112.1	V163 N210 E218 L221 D244 L295	V163-L212 HydrophobicContact CG2-CD1 3.79Å; N210-L212 WeakPolarHBondContact OD1-CB 3.03Å; N210-L212 WeakPolarHBondContact OD1-CD1 3.37Å; N210-L212 VanDerWaalsContact OD1-CG 3.32Å; N210-L212 WeakPolarHBondContact OD1-CG 3.31Å; N210-L212 PolarHBondContact OD1-N 2.8Å; L212-E218 HydrophobicContact CB-CB 4.44Å; L212-E218 HydrophobicContact CD2-CB 4.16Å; L212-E218 HydrophobicContact CD2-CG 4.05Å; L212-L221 HydrophobicContact CD1-CB 4.05Å; L212-L221 HydrophobicContact CD1-CD2 3.99Å; L212-L221 HydrophobicContact CD1-CG 3.85Å; L212-L221 HydrophobicContact CD2-CD2 4.44Å; L212-D244 WeakPolarHBondContact O-CA 3.36Å; L212-L295 HydrophobicContact CD2-CB 3.89Å
213	G	90.3	Very high	92	Very high	8 Å²	8	33.5 Å²	33.5	8%	0.082	19%	0.193	C	C	.	.			trans	-63.5	147.1	171	0	0	0	0	0	112.2	K215 E218 G219 D244	G213-K215 VanDerWaalsContact C-N 3.28Å; G213-K215 PolarHBondContact O-N 2.9Å; G213-E218 PolarHBondContact N-OE2 3.28Å; G213-E218 CarbonylContact O-C 3.54Å; G213-G219 WeakPolarHBondContact O-CA 3.35Å; G213-G219 PolarHBondContact O-N 3.06Å; G213-G219 VanDerWaalsContact O-N 3.07Å; G213-D244 WeakPolarHBondContact CA-OD2 3.41Å
214	S	87.1	Confident	91.9	Very high	72 Å²	72	32.1 Å²	32.1	50%	0.503	19%	0.188	S	C	.	.	S	Bend	trans	-83.1	1.6	177.6	53.3	0	0	0	0	114.2	D244	S214-D244 WeakPolarHBondContact CB-OD2 3.32Å; S214-D244 PolarHBondContact N-OD2 2.84Å; S214-D244 PolarHBondContact OG-OD2 3.36Å
215	K	85.7	Confident	92.1	Very high	176 Å²	176	30.8 Å²	30.8	77%	0.765	17%	0.174	S	C	*	.	S	Bend	trans	-140.1	158	-174.1	-64.3	-174.2	179.6	-176.9	0	111.4	G213 G219	G213-K215 VanDerWaalsContact C-N 3.28Å; G213-K215 PolarHBondContact O-N 2.9Å; K215-G219 PolarHBondContact O-N 2.87Å
216	G	84.5	Confident	92	Very high	54 Å²	54	30.4 Å²	30.4	56%	0.557	17%	0.17	S	C	*	.	H	α-helix	trans	63.5	-153.6	179.9	0	0	0	0	0	111.6	E218 G219 I220	G216-E218 VanDerWaalsContact C-N 3.3Å; G216-E218 PolarHBondContact O-N 3Å; G216-G219 WeakPolarHBondContact O-CA 3.34Å; G216-G219 PolarHBondContact O-N 3.49Å; G216-I220 PolarHBondContact O-N 3.17Å
217	D	82.3	Confident	91.7	Very high	60 Å²	60	32.7 Å²	32.7	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-58.9	-38.3	-175.8	-63	-19.2	0	0	0	113	K178 I179 G219 I220 L221	K178-D217 WeakPolarHBondContact CA-OD2 3.29Å; I179-D217 HydrophobicContact CB-CB 4.05Å; I179-D217 HydrophobicContact CD1-CB 3.88Å; I179-D217 WeakPolarHBondContact CD1-O 3.44Å; I179-D217 HydrophobicContact CG1-CB 3.89Å; D217-G219 VanDerWaalsContact C-N 3.28Å; D217-G219 PolarHBondContact O-N 3.41Å; D217-I220 PolarHBondContact O-N 2.82Å; D217-L221 PolarHBondContact O-N 2.83Å; D217-L221 VanDerWaalsContact O-N 3.13Å
218	E	89.6	Confident	91.4	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-34.1	175.4	-70.6	-167.1	-153.9	0	0	112.6	L212 G213 G216 L221 S222 L295 R300	L212-E218 HydrophobicContact CB-CB 4.44Å; L212-E218 HydrophobicContact CD2-CB 4.16Å; L212-E218 HydrophobicContact CD2-CG 4.05Å; G213-E218 PolarHBondContact N-OE2 3.28Å; G213-E218 CarbonylContact O-C 3.54Å; G216-E218 VanDerWaalsContact C-N 3.3Å; G216-E218 PolarHBondContact O-N 3Å; E218-L221 PolarHBondContact O-N 3.41Å; E218-S222 VanDerWaalsContact O-CB 3.3Å; E218-S222 WeakPolarHBondContact O-CB 3.22Å; E218-S222 PolarHBondContact O-N 3.22Å; E218-L295 HydrophobicContact CG-CB 4.16Å; E218-L295 HydrophobicContact CG-CD1 4.35Å; E218-L295 HydrophobicContact CG-CD2 3.99Å; E218-L295 HydrophobicContact CG-CG 4.4Å; E218-L295 WeakPolarHBondContact OE1-CD2 2.91Å; E218-R300 IonicContact OE1-CZ 3.81Å; E218-R300 IonicContact OE1-NH1 3.58Å; E218-R300 IonicContact OE1-NH2 2.62Å; E218-R300 PolarHBondContact OE1-NH2 3.47Å; E218-R300 IonicContact OE2-CZ 3.71Å; E218-R300 VanDerWaalsContact OE2-CZ 3.31Å; E218-R300 IonicContact OE2-NH1 3.51Å; E218-R300 PolarHBondContact OE2-NH1 3.29Å; E218-R300 IonicContact OE2-NH2 3.08Å; E218-R300 PolarHBondContact OE2-NH2 3.31Å
219	G	89.9	Confident	91.2	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-47	175.5	0	0	0	0	0	111.3	G213 K215 G216 D217 L221 S222 E223	G213-G219 WeakPolarHBondContact O-CA 3.35Å; G213-G219 PolarHBondContact O-N 3.06Å; G213-G219 VanDerWaalsContact O-N 3.07Å; K215-G219 PolarHBondContact O-N 2.87Å; G216-G219 WeakPolarHBondContact O-CA 3.34Å; G216-G219 PolarHBondContact O-N 3.49Å; D217-G219 VanDerWaalsContact C-N 3.28Å; D217-G219 PolarHBondContact O-N 3.41Å; G219-L221 VanDerWaalsContact C-N 3.31Å; G219-L221 PolarHBondContact O-N 3.06Å; G219-S222 WeakPolarHBondContact O-CB 3.41Å; G219-S222 PolarHBondContact O-N 3.48Å; G219-S222 VanDerWaalsContact O-N 3.08Å; G219-E223 WeakPolarHBondContact O-CG 3.48Å; G219-E223 PolarHBondContact O-N 3.06Å
220	I	88	Confident	90.9	Very high	52 Å²	52	35.4 Å²	35.4	27%	0.267	20%	0.203	S	C	.	.	H	α-helix	trans	-55.8	-47.3	176.1	-57.4	173.9	0	0	0	110.7	I181 G216 D217 S222 A224 L908	I181-I220 HydrophobicContact CD1-CG2 4.33Å; G216-I220 PolarHBondContact O-N 3.17Å; D217-I220 PolarHBondContact O-N 2.82Å; I220-S222 VanDerWaalsContact C-N 3.35Å; I220-A224 WeakPolarHBondContact O-CB 3.42Å; I220-A224 PolarHBondContact O-N 2.87Å; I220-L908 HydrophobicContact CB-CD2 4.13Å; I220-L908 WeakPolarHBondContact CD1-O 3.38Å; I220-L908 HydrophobicContact CG1-CD2 3.68Å; I220-L908 HydrophobicContact CG2-CD2 4.21Å
221	L	91.2	Very high	90.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-36.2	179.1	-175	61.8	0	0	0	112.3	V163 L165 W167 I179 L212 D217 E218 G219 Y225 L295	V163-L221 HydrophobicContact CB-CD1 4.42Å; V163-L221 HydrophobicContact CB-CD2 4.24Å; V163-L221 HydrophobicContact CB-CG 4.37Å; V163-L221 HydrophobicContact CG1-CD1 3.98Å; V163-L221 HydrophobicContact CG1-CG 4.19Å; V163-L221 HydrophobicContact CG2-CD2 4.05Å; V163-L221 HydrophobicContact CG2-CG 4.26Å; L165-L221 HydrophobicContact CD1-CD1 4.1Å; W167-L221 HydrophobicContact CB-CD1 4.16Å; W167-L221 HydrophobicContact CD2-CD1 4.07Å; W167-L221 HydrophobicContact CD2-CD2 3.83Å; W167-L221 HydrophobicContact CE3-CD2 4.04Å; W167-L221 HydrophobicContact CG-CD1 3.78Å; W167-L221 HydrophobicContact CG-CD2 4.41Å; W167-L221 HydrophobicContact CH2-CD2 3.92Å; W167-L221 HydrophobicContact CZ2-CD2 3.75Å; W167-L221 HydrophobicContact CZ3-CD2 4.07Å; I179-L221 HydrophobicContact CD1-CB 4.08Å; I179-L221 HydrophobicContact CD1-CD2 4.01Å; I179-L221 HydrophobicContact CG2-CB 4.33Å; I179-L221 HydrophobicContact CG2-CD1 4.49Å; I179-L221 HydrophobicContact CG2-CD2 4.47Å; L212-L221 HydrophobicContact CD1-CB 4.05Å; L212-L221 HydrophobicContact CD1-CD2 3.99Å; L212-L221 HydrophobicContact CD1-CG 3.85Å; L212-L221 HydrophobicContact CD2-CD2 4.44Å; D217-L221 PolarHBondContact O-N 2.83Å; D217-L221 VanDerWaalsContact O-N 3.13Å; E218-L221 PolarHBondContact O-N 3.41Å; G219-L221 VanDerWaalsContact C-N 3.31Å; G219-L221 PolarHBondContact O-N 3.06Å; L221-Y225 WeakPolarHBondContact O-CB 3.28Å; L221-Y225 PolarHBondContact O-N 3.13Å; L221-L295 HydrophobicContact CD2-CD1 4.4Å
222	S	93.5	Very high	89.7	Confident	9 Å²	9	35.6 Å²	35.6	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-46.3	177.8	-175.5	0	0	0	0	111.7	N210 E218 G219 I220 Y225 Q226	N210-S222 PolarHBondContact ND2-OG 3.43Å; E218-S222 VanDerWaalsContact O-CB 3.3Å; E218-S222 WeakPolarHBondContact O-CB 3.22Å; E218-S222 PolarHBondContact O-N 3.22Å; G219-S222 WeakPolarHBondContact O-CB 3.41Å; G219-S222 PolarHBondContact O-N 3.48Å; G219-S222 VanDerWaalsContact O-N 3.08Å; I220-S222 VanDerWaalsContact C-N 3.35Å; S222-Y225 PolarHBondContact O-N 3.18Å; S222-Q226 WeakPolarHBondContact O-CG 3.38Å; S222-Q226 PolarHBondContact O-N 3.07Å
223	E	92.6	Very high	89	Confident	85 Å²	85	37.1 Å²	37.1	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-46.1	177.5	-71.8	173.2	-150.5	0	0	110.8	G219 Y225 Q226 S227 L908	G219-E223 WeakPolarHBondContact O-CG 3.48Å; G219-E223 PolarHBondContact O-N 3.06Å; E223-Y225 PolarHBondContact O-N 2.73Å; E223-Q226 PolarHBondContact O-N 3Å; E223-Q226 VanDerWaalsContact O-N 3.13Å; E223-S227 PolarHBondContact O-N 2.6Å; E223-S227 PolarHBondContact O-OG 2.78Å; E223-L908 WeakPolarHBondContact OE2-CD2 3.11Å
224	A	91.4	Very high	88.6	Confident	6 Å²	6	39.2 Å²	39.2	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-40.3	173.4	0	0	0	0	0	112.4	L165 I181 L185 I220 S227 V228	L165-A224 HydrophobicContact CD1-CB 3.83Å; I181-A224 HydrophobicContact CD1-CB 3.59Å; L185-A224 HydrophobicContact CD2-CB 3.72Å; I220-A224 WeakPolarHBondContact O-CB 3.42Å; I220-A224 PolarHBondContact O-N 2.87Å; A224-S227 PolarHBondContact O-N 3.29Å; A224-V228 WeakPolarHBondContact O-CG2 3.15Å; A224-V228 PolarHBondContact O-N 3.24Å; A224-V228 VanDerWaalsContact O-N 3.08Å
225	Y	94.9	Very high	88.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69	-40.9	178.7	-171	-161.9	0	0	0	112	V163 P164 Y192 I208 L221 S222 E223 V228 H229 F240 R291 N293	V163-Y225 HydrophobicContact CG1-CD1 3.93Å; V163-Y225 HydrophobicContact CG1-CD2 4.32Å; V163-Y225 HydrophobicContact CG1-CG 3.82Å; V163-Y225 HydrophobicContact CG2-CD1 4.24Å; P164-Y225 VanDerWaalsContact CD-CE2 3.5Å; P164-Y225 HydrophobicContact CG-CD2 4.14Å; P164-Y225 HydrophobicContact CG-CE2 3.33Å; Y192-Y225 AromaticContact CD2-CE2 3.91Å; Y192-Y225 HydrophobicContact CD2-CE2 3.91Å; Y192-Y225 AromaticContact CE2-CE2 3.58Å; Y192-Y225 HydrophobicContact CE2-CE2 3.58Å; I208-Y225 HydrophobicContact CG2-CE1 3.78Å; I208-Y225 WeakPolarHBondContact CG2-OH 3.24Å; L221-Y225 WeakPolarHBondContact O-CB 3.28Å; L221-Y225 PolarHBondContact O-N 3.13Å; S222-Y225 PolarHBondContact O-N 3.18Å; E223-Y225 PolarHBondContact O-N 2.73Å; Y225-V228 PolarHBondContact O-N 3.17Å; Y225-H229 WeakPolarHBondContact O-CB 3.29Å; Y225-H229 PolarHBondContact O-N 2.79Å; Y225-F240 AromaticContact CD1-CE2 3.87Å; Y225-F240 HydrophobicContact CD1-CE2 3.87Å; Y225-F240 AromaticContact CD1-CZ 3.67Å; Y225-F240 HydrophobicContact CD1-CZ 3.67Å; Y225-F240 HydrophobicContact CD2-CE2 4.11Å; Y225-F240 AromaticContact CE1-CE2 3.79Å; Y225-F240 HydrophobicContact CE1-CE2 3.79Å; Y225-F240 AromaticContact CE1-CZ 3.93Å; Y225-F240 HydrophobicContact CE1-CZ 3.93Å; Y225-F240 HydrophobicContact CE2-CE2 4.01Å; Y225-F240 HydrophobicContact CG-CE2 4.03Å; Y225-F240 AromaticContact CG-CZ 3.99Å; Y225-F240 HydrophobicContact CG-CZ 3.99Å; Y225-F240 AromaticContact CZ-CE2 3.86Å; Y225-R291 PolarHBondContact OH-NH1 2.62Å; Y225-N293 WeakPolarHBondContact CE1-OD1 2.89Å
226	Q	93.7	Very high	88.5	Confident	70 Å²	70	39 Å²	39	33%	0.327	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-40.5	174.7	-71.6	172.5	13.9	0	0	112.2	S222 E223 H229 S230 F240 S242	S222-Q226 WeakPolarHBondContact O-CG 3.38Å; S222-Q226 PolarHBondContact O-N 3.07Å; E223-Q226 PolarHBondContact O-N 3Å; E223-Q226 VanDerWaalsContact O-N 3.13Å; Q226-H229 PolarHBondContact O-N 3.22Å; Q226-S230 VanDerWaalsContact O-CB 3.28Å; Q226-S230 WeakPolarHBondContact O-CB 3.36Å; Q226-S230 PolarHBondContact O-N 2.9Å; Q226-S230 PolarHBondContact O-OG 2.85Å; Q226-F240 HydrophobicContact CG-CD1 4.31Å; Q226-F240 HydrophobicContact CG-CE1 3.6Å; Q226-F240 HydrophobicContact CG-CZ 3.88Å; Q226-S242 PolarHBondContact NE2-OG 3.43Å
227	S	91.1	Very high	88.8	Confident	48 Å²	48	39 Å²	39	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-48.3	176.3	-60.5	0	0	0	0	111.1	E223 A224 H229 S230 S231 L896	E223-S227 PolarHBondContact O-N 2.6Å; E223-S227 PolarHBondContact O-OG 2.78Å; A224-S227 PolarHBondContact O-N 3.29Å; S227-H229 PolarHBondContact O-N 2.76Å; S227-S230 WeakPolarHBondContact O-CB 3.26Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 VanDerWaalsContact O-N 3.11Å; S227-S231 PolarHBondContact O-N 2.83Å; S227-L896 WeakPolarHBondContact O-CD2 3.14Å
228	V	91	Very high	89.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-42.7	178	171.3	0	0	0	0	111.6	L165 L185 A189 Y192 A224 Y225 S230 S231 F232 L896	L165-V228 HydrophobicContact CD2-CB 3.78Å; L165-V228 HydrophobicContact CD2-CG1 3.87Å; L165-V228 HydrophobicContact CD2-CG2 3.64Å; L185-V228 HydrophobicContact CB-CG2 3.94Å; L185-V228 HydrophobicContact CD2-CG2 4.15Å; A189-V228 HydrophobicContact CB-CG1 4.16Å; Y192-V228 HydrophobicContact CD1-CG1 3.91Å; Y192-V228 HydrophobicContact CG-CG1 3.75Å; A224-V228 WeakPolarHBondContact O-CG2 3.15Å; A224-V228 PolarHBondContact O-N 3.24Å; A224-V228 VanDerWaalsContact O-N 3.08Å; Y225-V228 PolarHBondContact O-N 3.17Å; V228-S230 VanDerWaalsContact C-N 3.31Å; V228-S230 PolarHBondContact O-N 3.08Å; V228-S231 PolarHBondContact O-N 2.9Å; V228-S231 PolarHBondContact O-OG 3.17Å; V228-F232 PolarHBondContact O-N 3.42Å; V228-L896 HydrophobicContact CG2-CD1 3.86Å
229	H	93.5	Very high	89.7	Confident	18 Å²	18	36.6 Å²	36.6	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-42.1	172.3	175.5	78.2	0	0	0	112	Y192 Y225 Q226 S227 S231 F232 R235 I238 F240	Y192-H229 AromaticContact CZ-ND1 3.88Å; Y192-H229 PolarHBondContact OH-ND1 3.3Å; Y225-H229 WeakPolarHBondContact O-CB 3.29Å; Y225-H229 PolarHBondContact O-N 2.79Å; Q226-H229 PolarHBondContact O-N 3.22Å; S227-H229 PolarHBondContact O-N 2.76Å; H229-S231 VanDerWaalsContact C-N 3.28Å; H229-S231 PolarHBondContact O-N 3.32Å; H229-F232 VanDerWaalsContact O-CB 3.3Å; H229-F232 WeakPolarHBondContact O-CB 3.36Å; H229-F232 PolarHBondContact O-N 3.37Å; H229-F232 VanDerWaalsContact O-N 3.11Å; H229-R235 WeakPolarHBondContact O-CB 3.34Å; H229-I238 PolarHBondContact CE1-O 3.03Å; H229-F240 HydrophobicContact CB-CD2 3.89Å; H229-F240 HydrophobicContact CB-CE2 4Å; H229-F240 AromaticContact CD2-CD2 3.8Å; H229-F240 AromaticContact CG-CD2 3.51Å; H229-F240 AromaticContact ND1-CD2 3.75Å
230	S	90.9	Very high	90	Very high	39 Å²	39	38.4 Å²	38.4	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-29.1	-178.9	-62	0	0	0	0	113.1	Q226 S227 V228 F232 R235	Q226-S230 VanDerWaalsContact O-CB 3.28Å; Q226-S230 WeakPolarHBondContact O-CB 3.36Å; Q226-S230 PolarHBondContact O-N 2.9Å; Q226-S230 PolarHBondContact O-OG 2.85Å; S227-S230 WeakPolarHBondContact O-CB 3.26Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 VanDerWaalsContact O-N 3.11Å; V228-S230 VanDerWaalsContact C-N 3.31Å; V228-S230 PolarHBondContact O-N 3.08Å; S230-F232 VanDerWaalsContact C-N 3.32Å; S230-R235 WeakPolarHBondContact O-CD 3.42Å; S230-R235 PolarHBondContact O-NH1 3.19Å
231	S	84.9	Confident	90.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-76.9	-14.9	174.1	66.6	0	0	0	0	114.8	S227 V228 H229 A233 R895 L896	S227-S231 PolarHBondContact O-N 2.83Å; V228-S231 PolarHBondContact O-N 2.9Å; V228-S231 PolarHBondContact O-OG 3.17Å; H229-S231 VanDerWaalsContact C-N 3.28Å; H229-S231 PolarHBondContact O-N 3.32Å; S231-A233 PolarHBondContact O-N 2.96Å; S231-R895 WeakPolarHBondContact O-CD 3.41Å; S231-L896 VanDerWaalsContact CB-CG 3.48Å; S231-L896 WeakPolarHBondContact OG-CG 3.3Å
232	F	84.6	Confident	90.5	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.022	22%	0.22	C	C	.	.			trans	-72.5	129.7	-174.2	-172.4	-120.5	0	0	0	111.5	Y192 S193 I196 V228 H229 S230 T234 R235 I238	Y192-F232 HydrophobicContact CD1-CB 4.32Å; Y192-F232 HydrophobicContact CD1-CD2 4.29Å; Y192-F232 HydrophobicContact CD1-CG 4.28Å; Y192-F232 HydrophobicContact CE1-CB 3.78Å; Y192-F232 HydrophobicContact CE1-CD1 4.09Å; Y192-F232 HydrophobicContact CE1-CD2 4.19Å; Y192-F232 AromaticContact CE1-CG 3.76Å; Y192-F232 HydrophobicContact CE1-CG 3.76Å; S193-F232 WeakPolarHBondContact OG-CE2 3.43Å; I196-F232 HydrophobicContact CG2-CE1 3.95Å; I196-F232 HydrophobicContact CG2-CZ 4.21Å; V228-F232 PolarHBondContact O-N 3.42Å; H229-F232 VanDerWaalsContact O-CB 3.3Å; H229-F232 WeakPolarHBondContact O-CB 3.36Å; H229-F232 PolarHBondContact O-N 3.37Å; H229-F232 VanDerWaalsContact O-N 3.11Å; S230-F232 VanDerWaalsContact C-N 3.32Å; F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 WeakPolarHBondContact CE1-OG1 3.44Å; F232-T234 PolarHBondContact O-N 3.19Å; F232-R235 HydrophobicContact CB-CB 4.49Å; F232-R235 VanDerWaalsContact O-CB 3.3Å; F232-R235 WeakPolarHBondContact O-CB 3.06Å; F232-R235 PolarHBondContact O-N 3.42Å; F232-R235 VanDerWaalsContact O-N 3.09Å; F232-I238 HydrophobicContact CD1-CD1 3.86Å; F232-I238 HydrophobicContact CE1-CD1 3.52Å
233	A	78.9	Confident	90.5	Very high	35 Å²	35	40.1 Å²	40.1	29%	0.289	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-42.8	-171.8	0	0	0	0	0	113.3	S231	S231-A233 PolarHBondContact O-N 2.96Å
234	T	81.1	Confident	90.5	Very high	52 Å²	52	37.2 Å²	37.2	32%	0.319	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	24.2	-178.4	62.8	0	0	0	0	113.9	F232 H236 S237	F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 WeakPolarHBondContact CE1-OG1 3.44Å; F232-T234 PolarHBondContact O-N 3.19Å; T234-H236 PolarHBondContact O-N 3.33Å; T234-S237 WeakPolarHBondContact O-CB 3.23Å; T234-S237 PolarHBondContact O-N 3.4Å; T234-S237 PolarHBondContact O-OG 3.3Å
235	R	84.3	Confident	90.4	Very high	84 Å²	84	37 Å²	37	32%	0.317	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-48.4	-37.2	-179.3	70.2	-173.1	-172	169.7	3.9	114.1	H229 S230 F232 S237 I238	H229-R235 WeakPolarHBondContact O-CB 3.34Å; S230-R235 WeakPolarHBondContact O-CD 3.42Å; S230-R235 PolarHBondContact O-NH1 3.19Å; F232-R235 HydrophobicContact CB-CB 4.49Å; F232-R235 VanDerWaalsContact O-CB 3.3Å; F232-R235 WeakPolarHBondContact O-CB 3.06Å; F232-R235 PolarHBondContact O-N 3.42Å; F232-R235 VanDerWaalsContact O-N 3.09Å; R235-S237 PolarHBondContact O-N 3.03Å; R235-S237 VanDerWaalsContact O-N 3.16Å; R235-I238 CarbonylContact O-C 3.49Å; R235-I238 PolarHBondContact O-N 3.42Å; R235-I238 VanDerWaalsContact O-O 3.08Å
236	H	87.4	Confident	89.9	Confident	158 Å²	158	42.5 Å²	42.5	73%	0.731	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-65.3	-19.7	-177.9	-63.4	-64.4	0	0	0	113.3	T234 I238	T234-H236 PolarHBondContact O-N 3.33Å; H236-I238 VanDerWaalsContact C-N 3.34Å
237	S	90	Very high	89.7	Confident	54 Å²	54	41 Å²	41	38%	0.378	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-86.1	-3	173.4	72.7	0	0	0	0	113.9	K200 T234 R235	K200-S237 PolarHBondContact NZ-OG 2.84Å; T234-S237 WeakPolarHBondContact O-CB 3.23Å; T234-S237 PolarHBondContact O-N 3.4Å; T234-S237 PolarHBondContact O-OG 3.3Å; R235-S237 PolarHBondContact O-N 3.03Å; R235-S237 VanDerWaalsContact O-N 3.16Å
238	I	93.9	Very high	89.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	-129.8	93.3	-173.3	-61.6	150.3	0	0	0	108.4	I196 I208 H229 F232 R235 H236 F240	I196-I238 HydrophobicContact CG2-CD1 3.4Å; I196-I238 HydrophobicContact CG2-CG1 4.34Å; I208-I238 HydrophobicContact CD1-CG2 3.82Å; I208-I238 HydrophobicContact CG1-CG2 4.11Å; H229-I238 PolarHBondContact CE1-O 3.03Å; F232-I238 HydrophobicContact CD1-CD1 3.86Å; F232-I238 HydrophobicContact CE1-CD1 3.52Å; R235-I238 CarbonylContact O-C 3.49Å; R235-I238 PolarHBondContact O-N 3.42Å; R235-I238 VanDerWaalsContact O-O 3.08Å; H236-I238 VanDerWaalsContact C-N 3.34Å; I238-F240 PolarHBondContact O-N 3.32Å
239	P	95.9	Very high	89.3	Confident	47 Å²	47	43.6 Å²	43.6	31%	0.305	24%	0.24	S	C	.	.			trans	-57.1	135.4	177.8	-25.8	35.5	0	0	0	112.1	A207 I208 F241 F268	A207-P239 WeakPolarHBondContact CA-O 3.4Å; A207-P239 HydrophobicContact CB-CB 4.13Å; A207-P239 HydrophobicContact CB-CG 4.36Å; I208-P239 PolarHBondContact N-O 3.23Å; P239-F241 HydrophobicContact CB-CD2 4.32Å; P239-F241 HydrophobicContact CB-CE2 3.5Å; P239-F241 VanDerWaalsContact CB-CE2 3.5Å; P239-F241 HydrophobicContact CB-CZ 3.73Å; P239-F268 HydrophobicContact CG-CD2 4.22Å
240	F	96.2	Very high	88.9	Confident	41 Å²	41	49.8 Å²	49.8	18%	0.18	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	107.6	178.7	-166.2	-72.5	0	0	0	110.7	I208 N210 Y225 Q226 H229 I238 S242	I208-F240 HydrophobicContact CB-CD2 3.86Å; I208-F240 HydrophobicContact CB-CE2 4.3Å; I208-F240 HydrophobicContact CB-CG 4.36Å; I208-F240 HydrophobicContact CD1-CD2 3.72Å; I208-F240 HydrophobicContact CD1-CE2 4.14Å; I208-F240 HydrophobicContact CG1-CD2 4.41Å; I208-F240 HydrophobicContact CG2-CD2 3.71Å; I208-F240 HydrophobicContact CG2-CE2 3.63Å; I208-F240 HydrophobicContact CG2-CG 4.33Å; I208-F240 HydrophobicContact CG2-CZ 4.18Å; N210-F240 HydrophobicContact CB-CE1 3.83Å; N210-F240 HydrophobicContact CB-CZ 3.9Å; Y225-F240 AromaticContact CD1-CE2 3.87Å; Y225-F240 HydrophobicContact CD1-CE2 3.87Å; Y225-F240 AromaticContact CD1-CZ 3.67Å; Y225-F240 HydrophobicContact CD1-CZ 3.67Å; Y225-F240 HydrophobicContact CD2-CE2 4.11Å; Y225-F240 AromaticContact CE1-CE2 3.79Å; Y225-F240 HydrophobicContact CE1-CE2 3.79Å; Y225-F240 AromaticContact CE1-CZ 3.93Å; Y225-F240 HydrophobicContact CE1-CZ 3.93Å; Y225-F240 HydrophobicContact CE2-CE2 4.01Å; Y225-F240 HydrophobicContact CG-CE2 4.03Å; Y225-F240 AromaticContact CG-CZ 3.99Å; Y225-F240 HydrophobicContact CG-CZ 3.99Å; Y225-F240 AromaticContact CZ-CE2 3.86Å; Q226-F240 HydrophobicContact CG-CD1 4.31Å; Q226-F240 HydrophobicContact CG-CE1 3.6Å; Q226-F240 HydrophobicContact CG-CZ 3.88Å; H229-F240 HydrophobicContact CB-CD2 3.89Å; H229-F240 HydrophobicContact CB-CE2 4Å; H229-F240 AromaticContact CD2-CD2 3.8Å; H229-F240 AromaticContact CG-CD2 3.51Å; H229-F240 AromaticContact ND1-CD2 3.75Å; I238-F240 PolarHBondContact O-N 3.32Å; F240-S242 VanDerWaalsContact CE1-OG 3.25Å; F240-S242 WeakPolarHBondContact CE1-OG 3.41Å
241	F	95.6	Very high	88.1	Confident	32 Å²	32	54.1 Å²	54.1	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.9	-178.9	-57	-80.3	0	0	0	110.4	A207 I208 V209 N210 P239 Q264 L265	A207-F241 HydrophobicContact CB-CE2 4.04Å; I208-F241 WeakPolarHBondContact O-CD2 3.34Å; I208-F241 PolarHBondContact O-N 2.64Å; V209-F241 HydrophobicContact CG2-CD2 4.47Å; N210-F241 PolarHBondContact N-O 2.9Å; P239-F241 HydrophobicContact CB-CD2 4.32Å; P239-F241 HydrophobicContact CB-CE2 3.5Å; P239-F241 VanDerWaalsContact CB-CE2 3.5Å; P239-F241 HydrophobicContact CB-CZ 3.73Å; F241-Q264 HydrophobicContact CD1-CB 3.9Å; F241-Q264 HydrophobicContact CE1-CB 3.93Å; F241-Q264 WeakPolarHBondContact CE1-O 3.46Å; F241-Q264 WeakPolarHBondContact CZ-O 3.23Å; F241-L265 HydrophobicContact CB-CD2 4.27Å; F241-L265 HydrophobicContact CD1-CD2 4.21Å; F241-L265 HydrophobicContact CD2-CD2 3.3Å; F241-L265 HydrophobicContact CE1-CD2 4.4Å; F241-L265 HydrophobicContact CE2-CD2 3.52Å; F241-L265 HydrophobicContact CG-CD2 3.67Å; F241-L265 HydrophobicContact CZ-CD2 4.07Å
242	S	94.4	Very high	87.7	Confident	56 Å²	56	56.1 Å²	56.1	39%	0.392	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.5	173.2	-63.7	0	0	0	0	110.4	Q226 F240	Q226-S242 PolarHBondContact NE2-OG 3.43Å; F240-S242 VanDerWaalsContact CE1-OG 3.25Å; F240-S242 WeakPolarHBondContact CE1-OG 3.41Å
243	F	94.2	Very high	87.8	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.044	32%	0.32	C	S	.	.			trans	-138.7	94	-176.8	-169.4	-94.1	0	0	0	110.8	N210 L211 L245 Q248 C257 F260 L261	N210-F243 PolarHBondContact O-N 3.44Å; L211-F243 VanDerWaalsContact CA-O 3.3Å; L211-F243 WeakPolarHBondContact CA-O 3.31Å; L211-F243 HydrophobicContact CD2-CB 4.22Å; L211-F243 HydrophobicContact CD2-CD1 4.21Å; F243-L245 VanDerWaalsContact C-N 3.26Å; F243-L245 HydrophobicContact CD1-CB 4.22Å; F243-L245 HydrophobicContact CD1-CD1 4.35Å; F243-L245 HydrophobicContact CE1-CB 4.4Å; F243-L245 HydrophobicContact CE1-CD1 3.81Å; F243-L245 PolarHBondContact O-N 3.08Å; F243-Q248 HydrophobicContact CD2-CG 4.49Å; F243-Q248 HydrophobicContact CE1-CB 4.02Å; F243-Q248 HydrophobicContact CE1-CG 4.07Å; F243-Q248 HydrophobicContact CE2-CG 3.96Å; F243-Q248 HydrophobicContact CZ-CB 3.83Å; F243-Q248 HydrophobicContact CZ-CG 3.73Å; F243-C257 HydrophobicContact CZ-CB 4.11Å; F243-C257 WeakPolarHBondContact CZ-O 3.36Å; F243-F260 HydrophobicContact CE2-CB 4.41Å; F243-L261 HydrophobicContact CB-CD1 3.98Å; F243-L261 HydrophobicContact CD1-CB 4.34Å; F243-L261 HydrophobicContact CD1-CD2 4.24Å; F243-L261 HydrophobicContact CD2-CB 4.16Å; F243-L261 HydrophobicContact CD2-CD1 4.24Å; F243-L261 HydrophobicContact CE1-CB 4.26Å; F243-L261 HydrophobicContact CE2-CB 4.07Å; F243-L261 HydrophobicContact CG-CB 4.29Å; F243-L261 HydrophobicContact CG-CD1 4.02Å; F243-L261 HydrophobicContact CZ-CB 4.12Å
244	D	92.4	Very high	88.2	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.128	32%	0.32	C	S	.	.			trans	-64.7	84.5	176	-176.3	-15.9	0	0	0	110.7	L212 G213 S214 H246 A247 Q248	L212-D244 WeakPolarHBondContact O-CA 3.36Å; G213-D244 WeakPolarHBondContact CA-OD2 3.41Å; S214-D244 WeakPolarHBondContact CB-OD2 3.32Å; S214-D244 PolarHBondContact N-OD2 2.84Å; S214-D244 PolarHBondContact OG-OD2 3.36Å; D244-H246 PolarHBondContact O-N 3.1Å; D244-H246 PolarHBondContact OD1-N 3.48Å; D244-A247 HydrophobicContact CB-CB 4.06Å; D244-A247 PolarHBondContact O-N 3.24Å; D244-A247 PolarHBondContact OD1-N 3.34Å; D244-A247 WeakPolarHBondContact OD2-CB 3Å; D244-Q248 WeakPolarHBondContact O-CB 3.39Å; D244-Q248 WeakPolarHBondContact O-CG 3.27Å; D244-Q248 PolarHBondContact O-N 3.08Å
245	L	89.6	Confident	88.3	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-30.5	-174.7	-179.4	61.2	0	0	0	111.5	L211 F243 A249 R254 L258 R300	L211-L245 HydrophobicContact CB-CB 4.41Å; L211-L245 HydrophobicContact CD1-CD2 4.31Å; L211-L245 HydrophobicContact CD2-CB 4.45Å; F243-L245 VanDerWaalsContact C-N 3.26Å; F243-L245 HydrophobicContact CD1-CB 4.22Å; F243-L245 HydrophobicContact CD1-CD1 4.35Å; F243-L245 HydrophobicContact CE1-CB 4.4Å; F243-L245 HydrophobicContact CE1-CD1 3.81Å; F243-L245 PolarHBondContact O-N 3.08Å; L245-A249 WeakPolarHBondContact O-CB 3.29Å; L245-A249 PolarHBondContact O-N 3.15Å; L245-R254 HydrophobicContact CD1-CG 4.36Å; L245-L258 HydrophobicContact CD1-CD2 3.99Å; L245-L258 HydrophobicContact CD1-CG 4.48Å; L245-R300 HydrophobicContact CD2-CB 3.91Å; L245-R300 HydrophobicContact CD2-CG 3.93Å
246	H	84.9	Confident	88.5	Confident	115 Å²	115	64 Å²	64	53%	0.532	35%	0.35	S	S	.	.	H	α-helix	trans	-70.7	-45.6	178.8	-177.9	75.3	0	0	0	111.3	D244 K250	D244-H246 PolarHBondContact O-N 3.1Å; D244-H246 PolarHBondContact OD1-N 3.48Å; H246-K250 WeakPolarHBondContact NE2-CE 3.24Å
247	A	87.9	Confident	88.7	Confident	38 Å²	38	56.6 Å²	56.6	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-45.6	175.4	0	0	0	0	0	111.7	D244 A249 K250	D244-A247 HydrophobicContact CB-CB 4.06Å; D244-A247 PolarHBondContact O-N 3.24Å; D244-A247 PolarHBondContact OD1-N 3.34Å; D244-A247 WeakPolarHBondContact OD2-CB 3Å; A247-A249 PolarHBondContact O-N 3.33Å; A247-K250 WeakPolarHBondContact O-CB 3.33Å; A247-K250 PolarHBondContact O-N 3.27Å
248	Q	87.8	Confident	88.8	Confident	79 Å²	79	54.5 Å²	54.5	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-37.4	-178.3	-65	-66	-17	0	0	112.4	F243 D244 K250 N251 C257	F243-Q248 HydrophobicContact CD2-CG 4.49Å; F243-Q248 HydrophobicContact CE1-CB 4.02Å; F243-Q248 HydrophobicContact CE1-CG 4.07Å; F243-Q248 HydrophobicContact CE2-CG 3.96Å; F243-Q248 HydrophobicContact CZ-CB 3.83Å; F243-Q248 HydrophobicContact CZ-CG 3.73Å; D244-Q248 WeakPolarHBondContact O-CB 3.39Å; D244-Q248 WeakPolarHBondContact O-CG 3.27Å; D244-Q248 PolarHBondContact O-N 3.08Å; Q248-K250 VanDerWaalsContact C-N 3.26Å; Q248-K250 PolarHBondContact O-N 3.42Å; Q248-N251 PolarHBondContact O-N 3.11Å; Q248-C257 HydrophobicContact CB-CB 3.84Å
249	A	86.7	Confident	88.9	Confident	24 Å²	24	56.6 Å²	56.6	20%	0.198	32%	0.315	C	S	.	.	H	α-helix	trans	-72	-13.8	178.8	0	0	0	0	0	114	L245 A247 N251 G253 R254	L245-A249 WeakPolarHBondContact O-CB 3.29Å; L245-A249 PolarHBondContact O-N 3.15Å; A247-A249 PolarHBondContact O-N 3.33Å; A249-N251 PolarHBondContact O-N 3.41Å; A249-G253 VanDerWaalsContact O-CA 3.23Å; A249-G253 WeakPolarHBondContact O-CA 3.37Å; A249-G253 PolarHBondContact O-N 3.38Å; A249-R254 HydrophobicContact CB-CG 4.09Å
250	K	85.2	Confident	88.8	Confident	148 Å²	148	60.2 Å²	60.2	64%	0.643	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.7	172.7	-71.4	177.2	-178.4	178.7	0	111.7	H246 A247 Q248 G252	H246-K250 WeakPolarHBondContact NE2-CE 3.24Å; A247-K250 WeakPolarHBondContact O-CB 3.33Å; A247-K250 PolarHBondContact O-N 3.27Å; Q248-K250 VanDerWaalsContact C-N 3.26Å; Q248-K250 PolarHBondContact O-N 3.42Å; K250-G252 VanDerWaalsContact C-N 3.25Å; K250-G252 PolarHBondContact O-N 3.05Å; K250-G252 VanDerWaalsContact O-N 3.09Å
251	N	75.2	Confident	88.7	Confident	130 Å²	130	58.4 Å²	58.4	70%	0.695	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	52.9	-179.6	-64.6	-19.1	0	0	0	112.3	Q248 A249	Q248-N251 PolarHBondContact O-N 3.11Å; A249-N251 PolarHBondContact O-N 3.41Å
252	G	76.2	Confident	88.8	Confident	43 Å²	43	57.3 Å²	57.3	44%	0.443	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	22.1	172.7	0	0	0	0	0	116.1	K250	K250-G252 VanDerWaalsContact C-N 3.25Å; K250-G252 PolarHBondContact O-N 3.05Å; K250-G252 VanDerWaalsContact O-N 3.09Å
253	G	86.4	Confident	88.8	Confident	27 Å²	27	60 Å²	60	28%	0.278	32%	0.323	S	S	.	.			trans	88.5	173	169.6	0	0	0	0	0	114.7	A249 S255 K256 C257	A249-G253 VanDerWaalsContact O-CA 3.23Å; A249-G253 WeakPolarHBondContact O-CA 3.37Å; A249-G253 PolarHBondContact O-N 3.38Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 2.74Å; G253-K256 PolarHBondContact O-N 3.15Å; G253-C257 PolarHBondContact O-N 3.37Å
254	R	86.2	Confident	88.9	Confident	80 Å²	80	64.1 Å²	64.1	30%	0.302	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-34.5	-175.4	-65.1	-178.7	-178	158.2	5.6	113.4	L245 A249 K256 C257 L258 D299 S303	L245-R254 HydrophobicContact CD1-CG 4.36Å; A249-R254 HydrophobicContact CB-CG 4.09Å; R254-K256 PolarHBondContact O-N 3.44Å; R254-C257 PolarHBondContact O-N 3.14Å; R254-L258 HydrophobicContact CB-CD1 4.05Å; R254-L258 HydrophobicContact CB-CG 4.49Å; R254-L258 WeakPolarHBondContact O-CB 3.29Å; R254-L258 WeakPolarHBondContact O-CD1 3.43Å; R254-L258 WeakPolarHBondContact O-CG 3.45Å; R254-L258 PolarHBondContact O-N 2.82Å; R254-D299 IonicContact CZ-OD1 3.71Å; R254-D299 IonicContact CZ-OD2 3.96Å; R254-D299 VanDerWaalsContact CZ-OD2 3.3Å; R254-D299 IonicContact NH1-OD1 3.97Å; R254-D299 PolarHBondContact NH1-OD1 3.02Å; R254-D299 IonicContact NH1-OD2 3.32Å; R254-D299 PolarHBondContact NH1-OD2 3.26Å; R254-D299 IonicContact NH2-OD1 2.58Å; R254-D299 IonicContact NH2-OD2 2.96Å; R254-D299 PolarHBondContact NH2-OD2 2.92Å; R254-S303 PolarHBondContact NH1-OG 3.32Å
255	S	83.4	Confident	89.1	Confident	95 Å²	95	63 Å²	63	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-62	-29.2	-179.7	53.6	0	0	0	0	113.3	G253 P259	G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 2.74Å; S255-P259 VanDerWaalsContact O-CD 3.32Å; S255-P259 WeakPolarHBondContact O-CD 3.44Å
256	K	88.2	Confident	89.5	Confident	139 Å²	139	66.8 Å²	66.8	60%	0.604	35%	0.354	S	S	*	.	H	α-helix	trans	-85.7	-32.9	177.1	-68.1	-166.5	-177	-176	0	113.2	G253 R254 F260	G253-K256 PolarHBondContact O-N 3.15Å; R254-K256 PolarHBondContact O-N 3.44Å; K256-F260 WeakPolarHBondContact O-CE2 3.5Å
257	C	91.6	Very high	90	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.027	35%	0.35	C	S	.	.	H	α-helix	trans	-89.9	-30.7	-173.9	72.8	0	0	0	0	114.4	F243 Q248 G253 R254 P259 F260 L261	F243-C257 HydrophobicContact CZ-CB 4.11Å; F243-C257 WeakPolarHBondContact CZ-O 3.36Å; Q248-C257 HydrophobicContact CB-CB 3.84Å; G253-C257 PolarHBondContact O-N 3.37Å; R254-C257 PolarHBondContact O-N 3.14Å; C257-P259 VanDerWaalsContact C-CD 3.48Å; C257-P259 VanDerWaalsContact C-N 3.35Å; C257-F260 WeakPolarHBondContact O-CB 3.06Å; C257-F260 PolarHBondContact O-N 3.4Å; C257-L261 PolarHBondContact O-N 2.98Å
258	L	93.4	Very high	90.5	Very high	9 Å²	9	63 Å²	63	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-32	179.8	-70.3	170.2	0	0	0	114.4	L245 R254 F260 L261 W262 A304 F307	L245-L258 HydrophobicContact CD1-CD2 3.99Å; L245-L258 HydrophobicContact CD1-CG 4.48Å; R254-L258 HydrophobicContact CB-CD1 4.05Å; R254-L258 HydrophobicContact CB-CG 4.49Å; R254-L258 WeakPolarHBondContact O-CB 3.29Å; R254-L258 WeakPolarHBondContact O-CD1 3.43Å; R254-L258 WeakPolarHBondContact O-CG 3.45Å; R254-L258 PolarHBondContact O-N 2.82Å; L258-F260 VanDerWaalsContact C-N 3.28Å; L258-F260 PolarHBondContact O-N 3.35Å; L258-L261 HydrophobicContact CD2-CD2 4.19Å; L258-L261 WeakPolarHBondContact O-CB 3.04Å; L258-L261 PolarHBondContact O-N 3.19Å; L258-L261 VanDerWaalsContact O-N 3.14Å; L258-W262 PolarHBondContact O-N 2.95Å; L258-A304 HydrophobicContact CD2-CB 4.38Å; L258-F307 HydrophobicContact CB-CB 4.3Å; L258-F307 HydrophobicContact CB-CD1 3.94Å; L258-F307 HydrophobicContact CB-CD2 3.68Å; L258-F307 HydrophobicContact CB-CE1 4.19Å; L258-F307 HydrophobicContact CB-CE2 3.92Å; L258-F307 HydrophobicContact CB-CG 3.69Å; L258-F307 HydrophobicContact CB-CZ 4.17Å; L258-F307 HydrophobicContact CD1-CB 3.77Å; L258-F307 HydrophobicContact CD1-CD2 4.03Å; L258-F307 HydrophobicContact CD1-CG 4.01Å; L258-F307 HydrophobicContact CG-CB 4.48Å; L258-F307 HydrophobicContact CG-CD2 4.5Å; L258-F307 HydrophobicContact CG-CG 4.38Å
259	P	95	Very high	90.9	Very high	47 Å²	47	59.4 Å²	59.4	31%	0.305	33%	0.325	S	S	.	.	H	α-helix	trans	-55.4	-36.7	168.3	-28.7	35.5	0	0	0	114.5	S255 C257 L261 W262 N263 F307	S255-P259 VanDerWaalsContact O-CD 3.32Å; S255-P259 WeakPolarHBondContact O-CD 3.44Å; C257-P259 VanDerWaalsContact C-CD 3.48Å; C257-P259 VanDerWaalsContact C-N 3.35Å; P259-L261 VanDerWaalsContact C-N 3.34Å; P259-W262 PolarHBondContact O-N 2.86Å; P259-N263 VanDerWaalsContact O-CG 3.3Å; P259-N263 PolarHBondContact O-N 3.01Å; P259-N263 PolarHBondContact O-OD1 3.3Å; P259-F307 HydrophobicContact CB-CZ 4.43Å; P259-F307 HydrophobicContact CG-CE2 4.21Å; P259-F307 HydrophobicContact CG-CZ 3.87Å
260	F	93.8	Very high	91.4	Very high	122 Å²	122	61 Å²	61	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-68	-35.2	176.3	-59	-62.8	0	0	0	112.5	F243 K256 C257 L258 Q264	F243-F260 HydrophobicContact CE2-CB 4.41Å; K256-F260 WeakPolarHBondContact O-CE2 3.5Å; C257-F260 WeakPolarHBondContact O-CB 3.06Å; C257-F260 PolarHBondContact O-N 3.4Å; L258-F260 VanDerWaalsContact C-N 3.28Å; L258-F260 PolarHBondContact O-N 3.35Å; F260-Q264 PolarHBondContact O-NE2 2.85Å
261	L	94.5	Very high	91.9	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-45.9	172.2	176.8	60.8	0	0	0	110	V209 L211 F243 C257 L258 P259 N263 Q264 L265	V209-L261 HydrophobicContact CG1-CD1 4.04Å; V209-L261 HydrophobicContact CG1-CD2 4.23Å; L211-L261 HydrophobicContact CD2-CD2 4.26Å; F243-L261 HydrophobicContact CB-CD1 3.98Å; F243-L261 HydrophobicContact CD1-CB 4.34Å; F243-L261 HydrophobicContact CD1-CD2 4.24Å; F243-L261 HydrophobicContact CD2-CB 4.16Å; F243-L261 HydrophobicContact CD2-CD1 4.24Å; F243-L261 HydrophobicContact CE1-CB 4.26Å; F243-L261 HydrophobicContact CE2-CB 4.07Å; F243-L261 HydrophobicContact CG-CB 4.29Å; F243-L261 HydrophobicContact CG-CD1 4.02Å; F243-L261 HydrophobicContact CZ-CB 4.12Å; C257-L261 PolarHBondContact O-N 2.98Å; L258-L261 HydrophobicContact CD2-CD2 4.19Å; L258-L261 WeakPolarHBondContact O-CB 3.04Å; L258-L261 PolarHBondContact O-N 3.19Å; L258-L261 VanDerWaalsContact O-N 3.14Å; P259-L261 VanDerWaalsContact C-N 3.34Å; L261-N263 VanDerWaalsContact C-N 3.35Å; L261-N263 PolarHBondContact O-N 2.81Å; L261-Q264 WeakPolarHBondContact O-CB 3.39Å; L261-Q264 PolarHBondContact O-N 3.42Å; L261-L265 HydrophobicContact CD1-CD1 3.86Å; L261-L265 HydrophobicContact CD1-CD2 4.47Å; L261-L265 HydrophobicContact CD1-CG 4.07Å; L261-L265 HydrophobicContact CD2-CD1 4.32Å; L261-L265 HydrophobicContact CG-CD1 3.74Å; L261-L265 HydrophobicContact CG-CG 4.29Å; L261-L265 WeakPolarHBondContact O-CG 3.28Å; L261-L265 PolarHBondContact O-N 3.49Å
262	W	96.7	Very high	92.9	Very high	10 Å²	10	54.2 Å²	54.2	4%	0.038	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-43.1	178.3	175.9	-98.4	0	0	0	113.4	L258 P259 Q264 L265 E266 V269 F307 I308 K311 V312 W315	L258-W262 PolarHBondContact O-N 2.95Å; P259-W262 PolarHBondContact O-N 2.86Å; W262-Q264 PolarHBondContact O-N 3.24Å; W262-Q264 VanDerWaalsContact O-N 3.07Å; W262-L265 PolarHBondContact O-N 2.94Å; W262-E266 HydrophobicContact CD2-CB 4.39Å; W262-E266 HydrophobicContact CZ2-CB 4.07Å; W262-E266 HydrophobicContact CZ2-CG 3.82Å; W262-E266 VanDerWaalsContact NE1-CD 3.3Å; W262-E266 PolarHBondContact NE1-OE1 2.93Å; W262-E266 WeakPolarHBondContact O-CB 3.2Å; W262-E266 PolarHBondContact O-N 3.49Å; W262-V269 HydrophobicContact CH2-CB 4.5Å; W262-V269 HydrophobicContact CH2-CG1 4.27Å; W262-V269 HydrophobicContact CZ3-CG1 4.4Å; W262-F307 HydrophobicContact CB-CE1 3.73Å; W262-F307 HydrophobicContact CG-CE1 4.27Å; W262-I308 HydrophobicContact CZ3-CG2 4.17Å; W262-K311 HydrophobicContact CD2-CB 3.96Å; W262-K311 HydrophobicContact CD2-CD 4.3Å; W262-K311 HydrophobicContact CD2-CG 3.73Å; W262-K311 HydrophobicContact CE3-CB 3.81Å; W262-K311 HydrophobicContact CE3-CG 3.9Å; W262-K311 HydrophobicContact CG-CG 4.22Å; W262-K311 HydrophobicContact CH2-CB 3.51Å; W262-K311 HydrophobicContact CH2-CG 4.37Å; W262-K311 HydrophobicContact CZ2-CB 3.66Å; W262-K311 HydrophobicContact CZ2-CG 4.22Å; W262-K311 HydrophobicContact CZ3-CB 3.59Å; W262-K311 HydrophobicContact CZ3-CG 4.22Å; W262-V312 HydrophobicContact CH2-CG2 4.31Å; W262-W315 AromaticContact CH2-CH2 3.66Å; W262-W315 HydrophobicContact CH2-CH2 3.66Å; W262-W315 AromaticContact CH2-CZ2 3.9Å; W262-W315 HydrophobicContact CH2-CZ2 3.9Å; W262-W315 HydrophobicContact CH2-CZ3 4.38Å; W262-W315 AromaticContact CZ2-CH2 3.82Å; W262-W315 HydrophobicContact CZ2-CH2 3.82Å; W262-W315 AromaticContact CZ2-CZ2 3.61Å; W262-W315 HydrophobicContact CZ2-CZ2 3.61Å
263	N	95.9	Very high	93.9	Very high	112 Å²	112	53.1 Å²	53.1	60%	0.599	30%	0.295	S	S	*	.	H	α-helix	trans	-58	-26.2	177.8	-67.4	-6.3	0	0	0	113.2	P259 L261	P259-N263 VanDerWaalsContact O-CG 3.3Å; P259-N263 PolarHBondContact O-N 3.01Å; P259-N263 PolarHBondContact O-OD1 3.3Å; L261-N263 VanDerWaalsContact C-N 3.35Å; L261-N263 PolarHBondContact O-N 2.81Å
264	Q	95.3	Very high	94.4	Very high	96 Å²	96	53.2 Å²	53.2	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-84.1	-30.3	175.2	-62.8	175.6	48	0	0	112.4	F241 F260 L261 W262	F241-Q264 HydrophobicContact CD1-CB 3.9Å; F241-Q264 HydrophobicContact CE1-CB 3.93Å; F241-Q264 WeakPolarHBondContact CE1-O 3.46Å; F241-Q264 WeakPolarHBondContact CZ-O 3.23Å; F260-Q264 PolarHBondContact O-NE2 2.85Å; L261-Q264 WeakPolarHBondContact O-CB 3.39Å; L261-Q264 PolarHBondContact O-N 3.42Å; W262-Q264 PolarHBondContact O-N 3.24Å; W262-Q264 VanDerWaalsContact O-N 3.07Å
265	L	97.1	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-91	-27.7	-174.9	-60.8	-179.2	0	0	0	113.6	V209 F241 L261 W262 G267 F268 V269 L290 I308	V209-L265 HydrophobicContact CG2-CD1 4.07Å; V209-L265 HydrophobicContact CG2-CD2 3.75Å; F241-L265 HydrophobicContact CB-CD2 4.27Å; F241-L265 HydrophobicContact CD1-CD2 4.21Å; F241-L265 HydrophobicContact CD2-CD2 3.3Å; F241-L265 HydrophobicContact CE1-CD2 4.4Å; F241-L265 HydrophobicContact CE2-CD2 3.52Å; F241-L265 HydrophobicContact CG-CD2 3.67Å; F241-L265 HydrophobicContact CZ-CD2 4.07Å; L261-L265 HydrophobicContact CD1-CD1 3.86Å; L261-L265 HydrophobicContact CD1-CD2 4.47Å; L261-L265 HydrophobicContact CD1-CG 4.07Å; L261-L265 HydrophobicContact CD2-CD1 4.32Å; L261-L265 HydrophobicContact CG-CD1 3.74Å; L261-L265 HydrophobicContact CG-CG 4.29Å; L261-L265 WeakPolarHBondContact O-CG 3.28Å; L261-L265 PolarHBondContact O-N 3.49Å; W262-L265 PolarHBondContact O-N 2.94Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 3.47Å; L265-F268 PolarHBondContact O-N 3.02Å; L265-V269 HydrophobicContact CB-CG2 4.31Å; L265-V269 WeakPolarHBondContact O-CG2 3.2Å; L265-V269 PolarHBondContact O-N 3.4Å; L265-L290 HydrophobicContact CD1-CD1 4.21Å; L265-L290 HydrophobicContact CD2-CD2 4.39Å; L265-I308 HydrophobicContact CD1-CD1 3.92Å; L265-I308 HydrophobicContact CD1-CG1 4.41Å
266	E	97.1	Very high	95.6	Very high	82 Å²	82	49.3 Å²	49.3	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-53.1	-45.8	-168.8	-179.1	167.1	-125.4	0	0	112.3	W262 F268 V269 S270 W315	W262-E266 HydrophobicContact CD2-CB 4.39Å; W262-E266 HydrophobicContact CZ2-CB 4.07Å; W262-E266 HydrophobicContact CZ2-CG 3.82Å; W262-E266 VanDerWaalsContact NE1-CD 3.3Å; W262-E266 PolarHBondContact NE1-OE1 2.93Å; W262-E266 WeakPolarHBondContact O-CB 3.2Å; W262-E266 PolarHBondContact O-N 3.49Å; E266-F268 VanDerWaalsContact C-N 3.33Å; E266-F268 PolarHBondContact O-N 3.11Å; E266-V269 PolarHBondContact O-N 3.13Å; E266-S270 WeakPolarHBondContact O-CB 3.41Å; E266-S270 PolarHBondContact O-N 2.96Å; E266-S270 PolarHBondContact O-OG 3.27Å; E266-S270 VanDerWaalsContact O-OG 3.04Å; E266-W315 HydrophobicContact CG-CZ2 4.48Å
267	G	96.8	Very high	96	Very high	43 Å²	43	43.6 Å²	43.6	44%	0.443	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-35.1	179.2	0	0	0	0	0	114	L265 S270 N271	L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 3.47Å; G267-S270 WeakPolarHBondContact CA-OG 3.35Å; G267-S270 PolarHBondContact O-OG 3.27Å; G267-N271 PolarHBondContact O-N 3.12Å; G267-N271 PolarHBondContact O-ND2 2.92Å; G267-N271 PolarHBondContact O-OD1 2.9Å
268	F	97.1	Very high	96.2	Very high	31 Å²	31	48 Å²	48	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-72.2	-48.4	173.8	177.7	-92	0	0	0	110.5	D205 A207 P239 L265 E266 S270 N271 C272 L290	D205-F268 HydrophobicContact CB-CE2 4.04Å; D205-F268 HydrophobicContact CB-CZ 4.1Å; A207-F268 HydrophobicContact CB-CD1 3.69Å; A207-F268 HydrophobicContact CB-CD2 3.93Å; A207-F268 HydrophobicContact CB-CE1 3.52Å; A207-F268 HydrophobicContact CB-CE2 3.77Å; A207-F268 HydrophobicContact CB-CG 3.89Å; A207-F268 HydrophobicContact CB-CZ 3.57Å; P239-F268 HydrophobicContact CG-CD2 4.22Å; L265-F268 PolarHBondContact O-N 3.02Å; E266-F268 VanDerWaalsContact C-N 3.33Å; E266-F268 PolarHBondContact O-N 3.11Å; F268-S270 VanDerWaalsContact C-N 3.33Å; F268-S270 PolarHBondContact O-N 3.28Å; F268-N271 PolarHBondContact O-N 2.88Å; F268-N271 VanDerWaalsContact O-N 3.15Å; F268-C272 WeakPolarHBondContact CE1-SG 3.35Å; F268-C272 WeakPolarHBondContact CZ-SG 3.25Å; F268-C272 PolarHBondContact O-N 2.9Å; F268-C272 PolarHBondContact O-SG 3.44Å; F268-L290 HydrophobicContact CD1-CD2 3.68Å; F268-L290 HydrophobicContact CE1-CD2 3.86Å
269	V	97.5	Very high	96.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-37.7	-177.1	-179.4	0	0	0	0	111.6	Y156 W262 L265 E266 C272 G273 L290 V312 W315	Y156-V269 HydrophobicContact CE2-CG1 4.24Å; W262-V269 HydrophobicContact CH2-CB 4.5Å; W262-V269 HydrophobicContact CH2-CG1 4.27Å; W262-V269 HydrophobicContact CZ3-CG1 4.4Å; L265-V269 HydrophobicContact CB-CG2 4.31Å; L265-V269 WeakPolarHBondContact O-CG2 3.2Å; L265-V269 PolarHBondContact O-N 3.4Å; E266-V269 PolarHBondContact O-N 3.13Å; V269-C272 PolarHBondContact O-N 2.79Å; V269-G273 PolarHBondContact O-N 3.44Å; V269-G273 VanDerWaalsContact O-N 3.08Å; V269-L290 HydrophobicContact CG2-CD1 3.8Å; V269-L290 HydrophobicContact CG2-CD2 4.14Å; V269-L290 HydrophobicContact CG2-CG 4.11Å; V269-V312 HydrophobicContact CG1-CG2 3.75Å; V269-W315 HydrophobicContact CG1-CH2 4.2Å; V269-W315 HydrophobicContact CG1-CZ3 3.9Å
270	S	96.6	Very high	95.9	Very high	58 Å²	58	52.3 Å²	52.3	41%	0.406	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-38.9	174.9	61.5	0	0	0	0	112.2	E266 G267 F268 G273	E266-S270 WeakPolarHBondContact O-CB 3.41Å; E266-S270 PolarHBondContact O-N 2.96Å; E266-S270 PolarHBondContact O-OG 3.27Å; E266-S270 VanDerWaalsContact O-OG 3.04Å; G267-S270 WeakPolarHBondContact CA-OG 3.35Å; G267-S270 PolarHBondContact O-OG 3.27Å; F268-S270 VanDerWaalsContact C-N 3.33Å; F268-S270 PolarHBondContact O-N 3.28Å; S270-G273 PolarHBondContact O-N 2.88Å
271	N	96.4	Very high	95.9	Very high	131 Å²	131	52 Å²	52	70%	0.701	31%	0.306	S	S	*	.	H	α-helix	trans	-69.6	-35.1	176.9	-71.6	-5.7	0	0	0	112.1	G267 F268 G273 N287	G267-N271 PolarHBondContact O-N 3.12Å; G267-N271 PolarHBondContact O-ND2 2.92Å; G267-N271 PolarHBondContact O-OD1 2.9Å; F268-N271 PolarHBondContact O-N 2.88Å; F268-N271 VanDerWaalsContact O-N 3.15Å; N271-G273 VanDerWaalsContact C-N 3.33Å; N271-N287 PolarHBondContact O-OD1 2.97Å
272	C	96.1	Very high	96	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-71.7	-27.3	176.4	-65.9	0	0	0	0	113.7	F268 V269 Q286 N287 G288	F268-C272 WeakPolarHBondContact CE1-SG 3.35Å; F268-C272 WeakPolarHBondContact CZ-SG 3.25Å; F268-C272 PolarHBondContact O-N 2.9Å; F268-C272 PolarHBondContact O-SG 3.44Å; V269-C272 PolarHBondContact O-N 2.79Å; C272-Q286 WeakPolarHBondContact O-CA 2.95Å; C272-N287 VanDerWaalsContact C-OD1 3.25Å; C272-N287 WeakPolarHBondContact CA-OD1 3.49Å; C272-N287 PolarHBondContact O-N 3.32Å; C272-N287 VanDerWaalsContact O-N 3.07Å; C272-N287 PolarHBondContact O-OD1 3.5Å; C272-G288 VanDerWaalsContact SG-CA 3.54Å
273	G	96.3	Very high	95.9	Very high	21 Å²	21	60.2 Å²	60.2	22%	0.216	35%	0.35	C	S	.	.			trans	60.7	-158	-176.2	0	0	0	0	0	114	V269 S270 N271	V269-G273 PolarHBondContact O-N 3.44Å; V269-G273 VanDerWaalsContact O-N 3.08Å; S270-G273 PolarHBondContact O-N 2.88Å; N271-G273 VanDerWaalsContact C-N 3.33Å
274	Y	97.1	Very high	95.9	Very high	28 Å²	28	57.2 Å²	57.2	11%	0.11	34%	0.337	C	S	.	.			trans	-143.5	168.9	174.9	57.4	-90.9	0	0	0	108.5	V154 S155 C284 V312 W315 M316 T319	V154-Y274 HydrophobicContact CB-CD2 4.4Å; V154-Y274 HydrophobicContact CB-CE2 4.28Å; V154-Y274 HydrophobicContact CG1-CE2 4.09Å; S155-Y274 WeakPolarHBondContact O-CB 3.31Å; Y274-C284 PolarHBondContact O-SG 3.3Å; Y274-V312 HydrophobicContact CD1-CG1 4.17Å; Y274-W315 HydrophobicContact CE1-CB 3.85Å; Y274-W315 PolarHBondContact OH-O 2.82Å; Y274-W315 VanDerWaalsContact OH-O 3.13Å; Y274-M316 HydrophobicContact CD2-CG 4.18Å; Y274-M316 HydrophobicContact CE2-CG 4.17Å; Y274-M316 HydrophobicContact CG-CG 4.45Å; Y274-T319 WeakPolarHBondContact OH-CB 3.12Å; Y274-T319 PolarHBondContact OH-OG1 2.86Å
275	F	97.9	Very high	95.9	Very high	70 Å²	70	59.6 Å²	59.6	31%	0.307	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.4	178.4	173.2	-88.9	0	0	0	111.3	V153 V154 S155 C277 L282	V153-F275 HydrophobicContact CG1-CE1 4.44Å; V154-F275 CarbonylContact C-O 3.59Å; V154-F275 VanDerWaalsContact CA-O 3.24Å; V154-F275 WeakPolarHBondContact CA-O 3.49Å; S155-F275 PolarHBondContact N-O 2.86Å; S155-F275 WeakPolarHBondContact O-CB 3.4Å; S155-F275 PolarHBondContact O-N 3.39Å; F275-C277 HydrophobicContact CE1-CB 3.74Å; F275-C277 HydrophobicContact CZ-CB 3.64Å; F275-L282 HydrophobicContact CD2-CD1 3.99Å; F275-L282 HydrophobicContact CE2-CD1 3.42Å; F275-L282 VanDerWaalsContact CE2-CD1 3.42Å; F275-L282 HydrophobicContact CZ-CD1 4.07Å
276	H	97.8	Very high	95.9	Very high	23 Å²	23	61.3 Å²	61.3	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126.8	171.1	-177.4	-158	0	0	0	110.6	D152 V153 V154 L283 C284 T319	D152-H276 IonicContact OD1-CD2 3.76Å; D152-H276 IonicContact OD1-CE1 3.84Å; D152-H276 IonicContact OD1-NE2 3.69Å; D152-H276 PolarHBondContact OD1-NE2 3.43Å; V153-H276 WeakPolarHBondContact O-CA 3.36Å; V154-H276 HydrophobicContact CG1-CB 4.1Å; H276-L283 HydrophobicContact CB-CB 4.35Å; H276-L283 WeakPolarHBondContact CE1-CD1 2.79Å; H276-L283 WeakPolarHBondContact ND1-CD1 3.41Å; H276-L283 PolarHBondContact O-N 3.37Å; H276-C284 WeakPolarHBondContact CB-SG 3.43Å; H276-C284 PolarHBondContact N-O 2.93Å; H276-C284 PolarHBondContact N-SG 3.16Å; H276-C284 VanDerWaalsContact N-SG 3.43Å; H276-C284 PolarHBondContact O-N 2.86Å; H276-C284 VanDerWaalsContact O-N 3.13Å; H276-T319 WeakPolarHBondContact CE1-CG2 3.46Å; H276-T319 VanDerWaalsContact ND1-CG2 3.28Å; H276-T319 WeakPolarHBondContact ND1-CG2 3.19Å
277	C	96.4	Very high	95.8	Very high	20 Å²	20	61.3 Å²	61.3	14%	0.135	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145	169.6	-178.7	0	0	0	0	109.4	D152 V153 F275 G279 N281	D152-C277 WeakPolarHBondContact CA-O 3.49Å; V153-C277 PolarHBondContact N-O 2.99Å; V153-C277 PolarHBondContact O-N 3.28Å; F275-C277 HydrophobicContact CE1-CB 3.74Å; F275-C277 HydrophobicContact CZ-CB 3.64Å; C277-G279 PolarHBondContact SG-O 2.78Å; C277-N281 CarbonylContact C-O 3.14Å; C277-N281 WeakPolarHBondContact CA-O 3.2Å; C277-N281 PolarHBondContact SG-O 3.37Å
278	K	95.5	Very high	95.8	Very high	95 Å²	95	59.2 Å²	59.2	41%	0.413	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109	171.6	-172	171.8	-175	164.5	0	109.3	E151 A280 N281 L283	E151-K278 HydrophobicContact CB-CG 3.97Å; E151-K278 CarbonylContact O-C 3.6Å; E151-K278 WeakPolarHBondContact O-CA 3.08Å; K278-A280 PolarHBondContact O-N 2.78Å; K278-N281 PolarHBondContact N-O 3.04Å; K278-N281 WeakPolarHBondContact O-CB 3.34Å; K278-N281 PolarHBondContact O-N 2.88Å; K278-L283 HydrophobicContact CB-CD1 3.88Å
279	G	91	Very high	95.8	Very high	48 Å²	48	57.9 Å²	57.9	50%	0.495	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	-115.9	-171.5	0	0	0	0	0	111	E151 C277	E151-G279 PolarHBondContact O-N 2.94Å; C277-G279 PolarHBondContact SG-O 2.78Å
280	A	90	Very high	95.9	Very high	100 Å²	100	57.8 Å²	57.8	83%	0.826	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.7	174	0	0	0	0	0	113.3	K278 L282	K278-A280 PolarHBondContact O-N 2.78Å; A280-L282 PolarHBondContact O-N 2.78Å
281	N	95.3	Very high	95.9	Very high	115 Å²	115	55 Å²	55	62%	0.615	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.1	-174.8	-65.3	-33.3	0	0	0	110.2	C277 K278	C277-N281 CarbonylContact C-O 3.14Å; C277-N281 WeakPolarHBondContact CA-O 3.2Å; C277-N281 PolarHBondContact SG-O 3.37Å; K278-N281 PolarHBondContact N-O 3.04Å; K278-N281 WeakPolarHBondContact O-CB 3.34Å; K278-N281 PolarHBondContact O-N 2.88Å
282	L	95.1	Very high	95.9	Very high	85 Å²	85	48.8 Å²	48.8	45%	0.445	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.6	171	176.1	69.9	0	0	0	109.8	F275 A280 C284 K285	F275-L282 HydrophobicContact CD2-CD1 3.99Å; F275-L282 HydrophobicContact CE2-CD1 3.42Å; F275-L282 VanDerWaalsContact CE2-CD1 3.42Å; F275-L282 HydrophobicContact CZ-CD1 4.07Å; A280-L282 PolarHBondContact O-N 2.78Å; L282-C284 WeakPolarHBondContact CD1-O 3.31Å; L282-K285 HydrophobicContact CD1-CG 4.03Å; L282-K285 HydrophobicContact CD2-CD 4.05Å; L282-K285 HydrophobicContact CD2-CG 3.76Å; L282-K285 HydrophobicContact CG-CG 4.34Å
283	L	96.3	Very high	95.9	Very high	100 Å²	100	48.6 Å²	48.6	52%	0.524	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-41.6	-177	-63.9	174.1	0	0	0	111.8	H276 K278	H276-L283 HydrophobicContact CB-CB 4.35Å; H276-L283 WeakPolarHBondContact CE1-CD1 2.79Å; H276-L283 WeakPolarHBondContact ND1-CD1 3.41Å; H276-L283 PolarHBondContact O-N 3.37Å; K278-L283 HydrophobicContact CB-CD1 3.88Å
284	C	94.6	Very high	95.6	Very high	50 Å²	50	47.6 Å²	47.6	34%	0.338	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.3	170.8	61.9	0	0	0	0	112.1	Y274 H276 L282	Y274-C284 PolarHBondContact O-SG 3.3Å; H276-C284 WeakPolarHBondContact CB-SG 3.43Å; H276-C284 PolarHBondContact N-O 2.93Å; H276-C284 PolarHBondContact N-SG 3.16Å; H276-C284 VanDerWaalsContact N-SG 3.43Å; H276-C284 PolarHBondContact O-N 2.86Å; H276-C284 VanDerWaalsContact O-N 3.13Å; L282-C284 WeakPolarHBondContact CD1-O 3.31Å
285	K	95.4	Very high	95.1	Very high	145 Å²	145	47.2 Å²	47.2	63%	0.63	27%	0.265	S	S	*	.			trans	-114.1	144.6	169.5	-63.4	-174	-179	-175.2	0	108.5	L282	L282-K285 HydrophobicContact CD1-CG 4.03Å; L282-K285 HydrophobicContact CD2-CD 4.05Å; L282-K285 HydrophobicContact CD2-CG 3.76Å; L282-K285 HydrophobicContact CG-CG 4.34Å
286	Q	96.9	Very high	94	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	26%	0.258	C	S	.	.			trans	-67.9	129.1	162.4	-173.6	171.7	-25	0	0	108.8	V157 C272 G288	V157-Q286 PolarHBondContact O-NE2 3.26Å; C272-Q286 WeakPolarHBondContact O-CA 2.95Å; Q286-G288 VanDerWaalsContact CG-O 3.27Å; Q286-G288 WeakPolarHBondContact CG-O 3.32Å; Q286-G288 PolarHBondContact NE2-O 3.24Å
287	N	95.7	Very high	92.9	Very high	82 Å²	82	44.6 Å²	44.6	44%	0.439	26%	0.255	S	S	.	.			trans	-120.1	20	-177.6	67.1	-21.3	0	0	0	113.2	Y203 D205 N271 C272	Y203-N287 CarbonylContact O-C 3.58Å; D205-N287 PolarHBondContact N-O 3.42Å; N271-N287 PolarHBondContact O-OD1 2.97Å; C272-N287 VanDerWaalsContact C-OD1 3.25Å; C272-N287 WeakPolarHBondContact CA-OD1 3.49Å; C272-N287 PolarHBondContact O-N 3.32Å; C272-N287 VanDerWaalsContact O-N 3.07Å; C272-N287 PolarHBondContact O-OD1 3.5Å
288	G	96.7	Very high	92.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	171.7	168	0	0	0	0	0	112.9	Y203 D205 C272 Q286	Y203-G288 WeakPolarHBondContact O-CA 3.44Å; Y203-G288 PolarHBondContact O-N 3.04Å; Y203-G288 VanDerWaalsContact O-N 3.09Å; D205-G288 CarbonylContact O-C 3.53Å; D205-G288 WeakPolarHBondContact O-CA 2.99Å; C272-G288 VanDerWaalsContact SG-CA 3.54Å; Q286-G288 VanDerWaalsContact CG-O 3.27Å; Q286-G288 WeakPolarHBondContact CG-O 3.32Å; Q286-G288 PolarHBondContact NE2-O 3.24Å
289	V	97.7	Very high	91.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.4	-175	74.5	0	0	0	0	112.7	T159 Y203 D205 V206 A207	T159-V289 HydrophobicContact CG2-CG2 3.8Å; Y203-V289 HydrophobicContact CD1-CB 4.4Å; Y203-V289 HydrophobicContact CD1-CG1 4.5Å; Y203-V289 HydrophobicContact CD2-CB 4.41Å; Y203-V289 HydrophobicContact CD2-CG1 3.67Å; Y203-V289 HydrophobicContact CG-CB 3.95Å; Y203-V289 HydrophobicContact CG-CG1 3.65Å; Y203-V289 HydrophobicContact CG-CG2 4.45Å; D205-V289 PolarHBondContact O-N 3.13Å; V206-V289 HydrophobicContact CG2-CG1 4.32Å; A207-V289 PolarHBondContact N-O 3.01Å; A207-V289 VanDerWaalsContact N-O 3.15Å
290	L	98.3	Very high	91.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.9	165	-63.1	-179.2	0	0	0	109.9	T159 A207 V209 L265 F268 V269 I292 I308	T159-L290 PolarHBondContact N-O 3.14Å; T159-L290 VanDerWaalsContact O-O 3.09Å; T159-L290 PolarHBondContact OG1-O 3.22Å; A207-L290 HydrophobicContact CB-CD2 4Å; V209-L290 HydrophobicContact CG2-CD2 4.36Å; L265-L290 HydrophobicContact CD1-CD1 4.21Å; L265-L290 HydrophobicContact CD2-CD2 4.39Å; F268-L290 HydrophobicContact CD1-CD2 3.68Å; F268-L290 HydrophobicContact CE1-CD2 3.86Å; V269-L290 HydrophobicContact CG2-CD1 3.8Å; V269-L290 HydrophobicContact CG2-CD2 4.14Å; V269-L290 HydrophobicContact CG2-CG 4.11Å; L290-I292 HydrophobicContact CB-CD1 4.31Å; L290-I292 HydrophobicContact CB-CG1 4.21Å; L290-I308 HydrophobicContact CD1-CD1 3.75Å; L290-I308 HydrophobicContact CD1-CG1 4.49Å; L290-I308 HydrophobicContact CD1-CG2 3.89Å
291	R	97	Very high	91.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103	170.3	-167.4	-58.8	-174.1	154.2	-9.5	108.4	T159 G161 S162 L199 V206 A207 I208 V209 Y225 N293	T159-R291 WeakPolarHBondContact OG1-CA 3.37Å; G161-R291 PolarHBondContact O-NH2 2.77Å; S162-R291 PolarHBondContact O-NH2 2.8Å; L199-R291 HydrophobicContact CD1-CB 4.2Å; L199-R291 HydrophobicContact CD1-CG 3.68Å; V206-R291 HydrophobicContact CG1-CB 4.2Å; A207-R291 PolarHBondContact O-N 3.39Å; I208-R291 WeakPolarHBondContact CA-O 3.4Å; V209-R291 PolarHBondContact N-O 2.69Å; Y225-R291 PolarHBondContact OH-NH1 2.62Å; R291-N293 PolarHBondContact NH1-OD1 2.78Å
292	I	97.6	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.3	-175.7	-56.3	160.6	0	0	0	111.1	T159 R160 G161 V209 L211 L290 T301 Q305 I308	T159-I292 PolarHBondContact O-N 2.99Å; R160-I292 WeakPolarHBondContact CA-O 3.39Å; R160-I292 VanDerWaalsContact CB-O 3.23Å; R160-I292 WeakPolarHBondContact CB-O 3.33Å; G161-I292 PolarHBondContact N-O 2.99Å; V209-I292 HydrophobicContact CB-CB 4.41Å; V209-I292 HydrophobicContact CB-CG1 3.92Å; V209-I292 HydrophobicContact CB-CG2 4.39Å; V209-I292 HydrophobicContact CG2-CG1 4.17Å; V209-I292 WeakPolarHBondContact O-CA 3.4Å; L211-I292 HydrophobicContact CD1-CG2 3.75Å; L211-I292 HydrophobicContact CG-CG2 4.2Å; L290-I292 HydrophobicContact CB-CD1 4.31Å; L290-I292 HydrophobicContact CB-CG1 4.21Å; I292-T301 HydrophobicContact CG2-CG2 4.06Å; I292-Q305 HydrophobicContact CD1-CG 3.44Å; I292-Q305 VanDerWaalsContact CD1-CG 3.44Å; I292-I308 HydrophobicContact CD1-CD1 3.93Å
293	N	95.9	Very high	91.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	164.1	173.5	65.2	-84	0	0	0	113.5	G161 V163 V209 N210 L211 Y225 R291	G161-N293 WeakPolarHBondContact O-CB 3.2Å; V163-N293 HydrophobicContact CG2-CB 4.46Å; V163-N293 VanDerWaalsContact CG2-ND2 3.29Å; V163-N293 WeakPolarHBondContact CG2-ND2 3.32Å; V209-N293 PolarHBondContact O-N 2.61Å; V209-N293 PolarHBondContact O-OD1 3.26Å; N210-N293 PolarHBondContact OD1-ND2 2.93Å; L211-N293 WeakPolarHBondContact CB-O 3.24Å; L211-N293 WeakPolarHBondContact CG-O 3.36Å; L211-N293 PolarHBondContact N-O 2.81Å; Y225-N293 WeakPolarHBondContact CE1-OD1 2.89Å; R291-N293 PolarHBondContact NH1-OD1 2.78Å
294	C	90.3	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.			trans	-153.1	-173.8	169.9	-155.7	0	0	0	0	108.7	L211 C297 R300 T301	L211-C294 HydrophobicContact CB-CB 4.22Å; L211-C294 PolarHBondContact O-SG 2.57Å; C294-C297 PolarHBondContact O-SG 2.87Å; C294-R300 HydrophobicContact CB-CB 4.19Å; C294-R300 VanDerWaalsContact SG-CD 3.53Å; C294-R300 PolarHBondContact SG-NE 2.84Å; C294-R300 PolarHBondContact SG-NH1 3.4Å; C294-R300 VanDerWaalsContact SG-NH1 3.41Å; C294-R300 PolarHBondContact SG-NH2 3.19Å; C294-T301 HydrophobicContact CB-CG2 3.6Å
295	L	86.4	Confident	91.7	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.099	12%	0.118	C	C	.	.	S	Bend	trans	-64.4	-62	175.2	-175.1	68.9	0	0	0	110.1	R129 W167 I179 L212 E218 L221	R129-L295 PolarHBondContact NH1-O 3.24Å; W167-L295 HydrophobicContact CH2-CD1 3.6Å; W167-L295 HydrophobicContact CZ3-CD1 3.82Å; I179-L295 HydrophobicContact CD1-CD1 3.36Å; I179-L295 HydrophobicContact CG1-CD1 4.03Å; L212-L295 HydrophobicContact CD2-CB 3.89Å; E218-L295 HydrophobicContact CG-CB 4.16Å; E218-L295 HydrophobicContact CG-CD1 4.35Å; E218-L295 HydrophobicContact CG-CD2 3.99Å; E218-L295 HydrophobicContact CG-CG 4.4Å; E218-L295 WeakPolarHBondContact OE1-CD2 2.91Å; L221-L295 HydrophobicContact CD2-CD1 4.4Å
296	D	74.3	Confident	91.8	Very high	31 Å²	31	17.7 Å²	17.7	17%	0.166	10%	0.095	C	C	.	.	S	Bend	trans	-98.9	110.7	168	-57.4	-47.4	0	0	0	106.9	R125 R129 L298	R125-D296 IonicContact CZ-OD1 3.21Å; R125-D296 IonicContact CZ-OD2 2.83Å; R125-D296 VanDerWaalsContact CZ-OD2 3.25Å; R125-D296 IonicContact NE-OD1 3.64Å; R125-D296 PolarHBondContact NE-OD1 3.36Å; R125-D296 VanDerWaalsContact NE-OD1 3.13Å; R125-D296 IonicContact NE-OD2 2.65Å; R125-D296 PolarHBondContact NE-OD2 2.77Å; R125-D296 IonicContact NH2-OD1 2.78Å; R125-D296 IonicContact NH2-OD2 2.91Å; R125-D296 PolarHBondContact NH2-OD2 3.43Å; R129-D296 IonicContact CZ-OD1 3.67Å; R129-D296 VanDerWaalsContact CZ-OD1 3.28Å; R129-D296 IonicContact NH1-OD1 3.35Å; R129-D296 PolarHBondContact NH1-OD1 2.98Å; R129-D296 IonicContact NH2-OD1 3.44Å; R129-D296 PolarHBondContact NH2-OD1 3.01Å; D296-L298 HydrophobicContact CB-CD1 4.31Å; D296-L298 HydrophobicContact CB-CG 4.32Å; D296-L298 PolarHBondContact O-N 3.12Å
297	C	75.5	Confident	91.7	Very high	7 Å²	7	18 Å²	18	5%	0.047	10%	0.095	C	C	.	.	S	Bend	trans	-73.5	53.6	-179.6	-65.1	0	0	0	0	111.9	R160 G161 C294 T301	R160-C297 PolarHBondContact NE-O 3.05Å; G161-C297 PolarHBondContact O-SG 3.13Å; C294-C297 PolarHBondContact O-SG 2.87Å; C297-T301 WeakPolarHBondContact CA-OG1 3.45Å; C297-T301 HydrophobicContact CB-CG2 4.21Å; C297-T301 PolarHBondContact O-OG1 2.99Å
298	L	82	Confident	91.8	Very high	21 Å²	21	14.1 Å²	14.1	11%	0.11	8%	0.075	C	C	.	.	S	Bend	trans	-120.1	-104.8	-176.6	-58.6	179.4	0	0	0	109.2	D296 T301 N302 Y351 T352	D296-L298 HydrophobicContact CB-CD1 4.31Å; D296-L298 HydrophobicContact CB-CG 4.32Å; D296-L298 PolarHBondContact O-N 3.12Å; L298-T301 PolarHBondContact N-OG1 3.3Å; L298-T301 PolarHBondContact O-N 3.35Å; L298-T301 PolarHBondContact O-OG1 2.8Å; L298-N302 WeakPolarHBondContact O-CB 3.38Å; L298-N302 PolarHBondContact O-N 2.87Å; L298-Y351 HydrophobicContact CD1-CD1 3.78Å; L298-Y351 HydrophobicContact CD1-CE1 4.3Å; L298-Y351 HydrophobicContact CD2-CD1 3.85Å; L298-Y351 HydrophobicContact CD2-CG 4.31Å; L298-Y351 HydrophobicContact CG-CD1 4Å; L298-Y351 HydrophobicContact CG-CE1 4.45Å; L298-T352 HydrophobicContact CD1-CG2 3.85Å
299	D	83.3	Confident	91.9	Very high	77 Å²	77	14.1 Å²	14.1	41%	0.412	8%	0.075	S	C	.	.	H	α-helix	trans	-63.3	-49.1	-168.4	173.7	43.3	0	0	0	114	R254 N302 S303	R254-D299 IonicContact CZ-OD1 3.71Å; R254-D299 IonicContact CZ-OD2 3.96Å; R254-D299 VanDerWaalsContact CZ-OD2 3.3Å; R254-D299 IonicContact NH1-OD1 3.97Å; R254-D299 PolarHBondContact NH1-OD1 3.02Å; R254-D299 IonicContact NH1-OD2 3.32Å; R254-D299 PolarHBondContact NH1-OD2 3.26Å; R254-D299 IonicContact NH2-OD1 2.58Å; R254-D299 IonicContact NH2-OD2 2.96Å; R254-D299 PolarHBondContact NH2-OD2 2.92Å; D299-N302 PolarHBondContact O-N 2.87Å; D299-S303 WeakPolarHBondContact O-CB 2.99Å; D299-S303 PolarHBondContact O-N 3.36Å; D299-S303 PolarHBondContact O-OG 3.04Å
300	R	90.1	Very high	91.9	Very high	36 Å²	36	15.4 Å²	15.4	14%	0.136	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-45.6	179	-79.7	-166.7	-83	168	-0	112.1	L211 E218 L245 C294 S303 A304	L211-R300 PolarHBondContact O-NH1 2.86Å; E218-R300 IonicContact OE1-CZ 3.81Å; E218-R300 IonicContact OE1-NH1 3.58Å; E218-R300 IonicContact OE1-NH2 2.62Å; E218-R300 PolarHBondContact OE1-NH2 3.47Å; E218-R300 IonicContact OE2-CZ 3.71Å; E218-R300 VanDerWaalsContact OE2-CZ 3.31Å; E218-R300 IonicContact OE2-NH1 3.51Å; E218-R300 PolarHBondContact OE2-NH1 3.29Å; E218-R300 IonicContact OE2-NH2 3.08Å; E218-R300 PolarHBondContact OE2-NH2 3.31Å; L245-R300 HydrophobicContact CD2-CB 3.91Å; L245-R300 HydrophobicContact CD2-CG 3.93Å; C294-R300 HydrophobicContact CB-CB 4.19Å; C294-R300 VanDerWaalsContact SG-CD 3.53Å; C294-R300 PolarHBondContact SG-NE 2.84Å; C294-R300 PolarHBondContact SG-NH1 3.4Å; C294-R300 VanDerWaalsContact SG-NH1 3.41Å; C294-R300 PolarHBondContact SG-NH2 3.19Å; R300-S303 PolarHBondContact O-N 3Å; R300-A304 PolarHBondContact O-N 3.44Å; R300-A304 VanDerWaalsContact O-N 3.16Å
301	T	93.1	Very high	91.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.6	-40.6	178.2	51.1	0	0	0	0	111.9	R160 L211 I292 C294 C297 L298 S303 A304 Q305	R160-T301 WeakPolarHBondContact CD-OG1 3.31Å; L211-T301 HydrophobicContact CD1-CG2 4.42Å; I292-T301 HydrophobicContact CG2-CG2 4.06Å; C294-T301 HydrophobicContact CB-CG2 3.6Å; C297-T301 WeakPolarHBondContact CA-OG1 3.45Å; C297-T301 HydrophobicContact CB-CG2 4.21Å; C297-T301 PolarHBondContact O-OG1 2.99Å; L298-T301 PolarHBondContact N-OG1 3.3Å; L298-T301 PolarHBondContact O-N 3.35Å; L298-T301 PolarHBondContact O-OG1 2.8Å; T301-S303 VanDerWaalsContact C-N 3.33Å; T301-S303 PolarHBondContact O-N 2.97Å; T301-A304 PolarHBondContact O-N 2.95Å; T301-Q305 WeakPolarHBondContact O-CB 3.35Å; T301-Q305 WeakPolarHBondContact O-CG 3.45Å; T301-Q305 PolarHBondContact O-N 2.78Å
302	N	94	Very high	91.8	Very high	14 Å²	14	18.9 Å²	18.9	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-39	177.3	-167	72.7	0	0	0	111.5	L298 D299 S306 W340 N343	L298-N302 WeakPolarHBondContact O-CB 3.38Å; L298-N302 PolarHBondContact O-N 2.87Å; D299-N302 PolarHBondContact O-N 2.87Å; N302-S306 WeakPolarHBondContact O-CB 3.22Å; N302-S306 PolarHBondContact O-N 3.39Å; N302-W340 PolarHBondContact ND2-O 2.84Å; N302-N343 PolarHBondContact OD1-ND2 3.06Å
303	S	93	Very high	91.9	Very high	24 Å²	24	18.9 Å²	18.9	17%	0.168	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-44.9	175.6	-63.5	0	0	0	0	112.4	R254 D299 R300 T301 F307	R254-S303 PolarHBondContact NH1-OG 3.32Å; D299-S303 WeakPolarHBondContact O-CB 2.99Å; D299-S303 PolarHBondContact O-N 3.36Å; D299-S303 PolarHBondContact O-OG 3.04Å; R300-S303 PolarHBondContact O-N 3Å; T301-S303 VanDerWaalsContact C-N 3.33Å; T301-S303 PolarHBondContact O-N 2.97Å; S303-F307 PolarHBondContact O-N 3.38Å; S303-F307 VanDerWaalsContact O-N 3.13Å
304	A	95.3	Very high	91.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-48.8	176.7	0	0	0	0	0	111.5	L211 L258 R300 T301 S306 F307 I308	L211-A304 HydrophobicContact CD1-CB 3.75Å; L258-A304 HydrophobicContact CD2-CB 4.38Å; R300-A304 PolarHBondContact O-N 3.44Å; R300-A304 VanDerWaalsContact O-N 3.16Å; T301-A304 PolarHBondContact O-N 2.95Å; A304-S306 VanDerWaalsContact C-N 3.31Å; A304-S306 PolarHBondContact O-N 2.93Å; A304-F307 PolarHBondContact O-N 3.26Å; A304-I308 WeakPolarHBondContact O-CD1 3.22Å; A304-I308 VanDerWaalsContact O-CG1 3.29Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 2.91Å
305	Q	96.9	Very high	92.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-40.6	177.7	-77.1	-176.6	-47	0	0	112.6	Q158 I292 T301 I308 G309 W340	Q158-Q305 HydrophobicContact CB-CG 4.48Å; Q158-Q305 PolarHBondContact NE2-O 3.16Å; I292-Q305 HydrophobicContact CD1-CG 3.44Å; I292-Q305 VanDerWaalsContact CD1-CG 3.44Å; T301-Q305 WeakPolarHBondContact O-CB 3.35Å; T301-Q305 WeakPolarHBondContact O-CG 3.45Å; T301-Q305 PolarHBondContact O-N 2.78Å; Q305-I308 PolarHBondContact O-N 3.39Å; Q305-G309 PolarHBondContact O-N 3.48Å; Q305-W340 HydrophobicContact CB-CE3 4.48Å; Q305-W340 HydrophobicContact CB-CH2 3.64Å; Q305-W340 HydrophobicContact CB-CZ3 3.56Å
306	S	96.9	Very high	92.7	Very high	21 Å²	21	24.1 Å²	24.1	15%	0.147	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-45.5	176.8	179.6	0	0	0	0	111.6	N302 A304 G309 L310 W340	N302-S306 WeakPolarHBondContact O-CB 3.22Å; N302-S306 PolarHBondContact O-N 3.39Å; A304-S306 VanDerWaalsContact C-N 3.31Å; A304-S306 PolarHBondContact O-N 2.93Å; S306-G309 PolarHBondContact O-N 3.22Å; S306-L310 VanDerWaalsContact O-CG 3.28Å; S306-L310 WeakPolarHBondContact O-CG 3.36Å; S306-L310 PolarHBondContact O-N 2.83Å; S306-W340 VanDerWaalsContact OG-CB 3.32Å; S306-W340 WeakPolarHBondContact OG-CB 3.46Å
307	F	96.8	Very high	93.8	Very high	41 Å²	41	22.8 Å²	22.8	18%	0.18	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-45.9	177.8	-176.1	-84.6	0	0	0	112.2	L258 P259 W262 S303 A304 L310 K311	L258-F307 HydrophobicContact CB-CB 4.3Å; L258-F307 HydrophobicContact CB-CD1 3.94Å; L258-F307 HydrophobicContact CB-CD2 3.68Å; L258-F307 HydrophobicContact CB-CE1 4.19Å; L258-F307 HydrophobicContact CB-CE2 3.92Å; L258-F307 HydrophobicContact CB-CG 3.69Å; L258-F307 HydrophobicContact CB-CZ 4.17Å; L258-F307 HydrophobicContact CD1-CB 3.77Å; L258-F307 HydrophobicContact CD1-CD2 4.03Å; L258-F307 HydrophobicContact CD1-CG 4.01Å; L258-F307 HydrophobicContact CG-CB 4.48Å; L258-F307 HydrophobicContact CG-CD2 4.5Å; L258-F307 HydrophobicContact CG-CG 4.38Å; P259-F307 HydrophobicContact CB-CZ 4.43Å; P259-F307 HydrophobicContact CG-CE2 4.21Å; P259-F307 HydrophobicContact CG-CZ 3.87Å; W262-F307 HydrophobicContact CB-CE1 3.73Å; W262-F307 HydrophobicContact CG-CE1 4.27Å; S303-F307 PolarHBondContact O-N 3.38Å; S303-F307 VanDerWaalsContact O-N 3.13Å; A304-F307 PolarHBondContact O-N 3.26Å; F307-L310 PolarHBondContact O-N 3.4Å; F307-K311 HydrophobicContact CD1-CG 4.22Å; F307-K311 HydrophobicContact CE1-CD 4.48Å; F307-K311 HydrophobicContact CE1-CG 3.83Å; F307-K311 HydrophobicContact CZ-CG 4.41Å; F307-K311 WeakPolarHBondContact O-CG 3.38Å; F307-K311 PolarHBondContact O-N 3.38Å
308	I	97.6	Very high	94.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-45.4	176.9	-65.7	159.9	0	0	0	110.2	Y156 W262 L265 L290 I292 A304 Q305 L310 K311 V312	Y156-I308 HydrophobicContact CE1-CG2 4.01Å; W262-I308 HydrophobicContact CZ3-CG2 4.17Å; L265-I308 HydrophobicContact CD1-CD1 3.92Å; L265-I308 HydrophobicContact CD1-CG1 4.41Å; L290-I308 HydrophobicContact CD1-CD1 3.75Å; L290-I308 HydrophobicContact CD1-CG1 4.49Å; L290-I308 HydrophobicContact CD1-CG2 3.89Å; I292-I308 HydrophobicContact CD1-CD1 3.93Å; A304-I308 WeakPolarHBondContact O-CD1 3.22Å; A304-I308 VanDerWaalsContact O-CG1 3.29Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 2.91Å; Q305-I308 PolarHBondContact O-N 3.39Å; I308-L310 VanDerWaalsContact C-N 3.29Å; I308-L310 PolarHBondContact O-N 2.93Å; I308-K311 WeakPolarHBondContact O-CB 3.32Å; I308-K311 PolarHBondContact O-N 2.95Å; I308-V312 PolarHBondContact O-N 3.1Å
309	G	97.6	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-37	177.8	0	0	0	0	0	113	Q145 Q305 S306 L313	Q145-G309 PolarHBondContact NE2-O 3.3Å; Q145-G309 PolarHBondContact OE1-O 2.9Å; Q305-G309 PolarHBondContact O-N 3.48Å; S306-G309 PolarHBondContact O-N 3.22Å; G309-L313 VanDerWaalsContact O-CB 3.31Å; G309-L313 WeakPolarHBondContact O-CB 3.48Å; G309-L313 PolarHBondContact O-N 2.69Å
310	L	97.4	Very high	96	Very high	29 Å²	29	26.5 Å²	26.5	15%	0.152	13%	0.131	C	C	.	.	H	α-helix	trans	-71.7	-29.5	174.2	-70	174	0	0	0	113.2	S306 F307 I308 L313 V333 K337	S306-L310 VanDerWaalsContact O-CG 3.28Å; S306-L310 WeakPolarHBondContact O-CG 3.36Å; S306-L310 PolarHBondContact O-N 2.83Å; F307-L310 PolarHBondContact O-N 3.4Å; I308-L310 VanDerWaalsContact C-N 3.29Å; I308-L310 PolarHBondContact O-N 2.93Å; L310-L313 HydrophobicContact CD2-CD2 3.97Å; L310-L313 WeakPolarHBondContact O-CB 3.48Å; L310-V333 HydrophobicContact CD2-CG1 4.33Å; L310-K337 HydrophobicContact CD1-CG 3.77Å; L310-K337 HydrophobicContact CD2-CG 4.34Å
311	K	97.4	Very high	96.2	Very high	72 Å²	72	27 Å²	27	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-71.5	-43.8	173.4	-73.1	-68.1	-174.6	179.9	0	112.2	W262 F307 I308 L313 D314	W262-K311 HydrophobicContact CD2-CB 3.96Å; W262-K311 HydrophobicContact CD2-CD 4.3Å; W262-K311 HydrophobicContact CD2-CG 3.73Å; W262-K311 HydrophobicContact CE3-CB 3.81Å; W262-K311 HydrophobicContact CE3-CG 3.9Å; W262-K311 HydrophobicContact CG-CG 4.22Å; W262-K311 HydrophobicContact CH2-CB 3.51Å; W262-K311 HydrophobicContact CH2-CG 4.37Å; W262-K311 HydrophobicContact CZ2-CB 3.66Å; W262-K311 HydrophobicContact CZ2-CG 4.22Å; W262-K311 HydrophobicContact CZ3-CB 3.59Å; W262-K311 HydrophobicContact CZ3-CG 4.22Å; F307-K311 HydrophobicContact CD1-CG 4.22Å; F307-K311 HydrophobicContact CE1-CD 4.48Å; F307-K311 HydrophobicContact CE1-CG 3.83Å; F307-K311 HydrophobicContact CZ-CG 4.41Å; F307-K311 WeakPolarHBondContact O-CG 3.38Å; F307-K311 PolarHBondContact O-N 3.38Å; I308-K311 WeakPolarHBondContact O-CB 3.32Å; I308-K311 PolarHBondContact O-N 2.95Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 3.2Å; K311-D314 WeakPolarHBondContact O-CB 3.49Å; K311-D314 PolarHBondContact O-N 3.05Å
312	V	97.6	Very high	96.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-68.2	-29.9	174.4	178.7	0	0	0	0	111.4	Y156 W262 V269 Y274 I308 D314 W315 M316	Y156-V312 HydrophobicContact CD1-CB 4.01Å; Y156-V312 HydrophobicContact CD1-CG1 3.99Å; Y156-V312 HydrophobicContact CD1-CG2 4.08Å; Y156-V312 HydrophobicContact CD2-CG1 3.92Å; Y156-V312 HydrophobicContact CD2-CG2 4.41Å; Y156-V312 HydrophobicContact CE1-CB 4.21Å; Y156-V312 HydrophobicContact CE1-CG1 4.5Å; Y156-V312 HydrophobicContact CE1-CG2 3.77Å; Y156-V312 HydrophobicContact CE2-CG1 4.45Å; Y156-V312 HydrophobicContact CE2-CG2 4.15Å; Y156-V312 HydrophobicContact CG-CB 4.21Å; Y156-V312 HydrophobicContact CG-CG1 3.67Å; Y156-V312 HydrophobicContact CG-CG2 4.38Å; W262-V312 HydrophobicContact CH2-CG2 4.31Å; V269-V312 HydrophobicContact CG1-CG2 3.75Å; Y274-V312 HydrophobicContact CD1-CG1 4.17Å; I308-V312 PolarHBondContact O-N 3.1Å; V312-D314 VanDerWaalsContact C-N 3.25Å; V312-D314 PolarHBondContact O-N 3.23Å; V312-W315 HydrophobicContact CB-CE3 4.37Å; V312-W315 HydrophobicContact CG1-CE3 4.16Å; V312-W315 HydrophobicContact CG2-CE3 4.14Å; V312-W315 HydrophobicContact CG2-CZ3 4.05Å; V312-W315 WeakPolarHBondContact O-CB 3.19Å; V312-W315 PolarHBondContact O-N 2.87Å; V312-M316 HydrophobicContact CG1-CG 4.23Å; V312-M316 HydrophobicContact CG1-SD 4.21Å; V312-M316 WeakPolarHBondContact O-CG 3.37Å; V312-M316 PolarHBondContact O-N 2.9Å
313	L	97.9	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.2	-40.4	173.9	179.1	63.1	0	0	0	111.9	I147 G309 L310 K311 W315 M316 L317 F332 V333 Y336	I147-L313 HydrophobicContact CD1-CD1 3.76Å; G309-L313 VanDerWaalsContact O-CB 3.31Å; G309-L313 WeakPolarHBondContact O-CB 3.48Å; G309-L313 PolarHBondContact O-N 2.69Å; L310-L313 HydrophobicContact CD2-CD2 3.97Å; L310-L313 WeakPolarHBondContact O-CB 3.48Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 3.2Å; L313-W315 PolarHBondContact O-N 3.41Å; L313-M316 PolarHBondContact O-N 3.34Å; L313-M316 VanDerWaalsContact O-N 3.12Å; L313-L317 HydrophobicContact CD1-CD1 4.36Å; L313-L317 HydrophobicContact CD1-CD2 4.18Å; L313-L317 HydrophobicContact CD1-CG 3.99Å; L313-L317 HydrophobicContact CG-CD1 4.06Å; L313-L317 HydrophobicContact CG-CG 4.14Å; L313-L317 VanDerWaalsContact O-CG 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.09Å; L313-F332 HydrophobicContact CD2-CB 4.42Å; L313-V333 HydrophobicContact CD2-CG2 4.04Å; L313-Y336 HydrophobicContact CD1-CD2 3.7Å; L313-Y336 HydrophobicContact CD1-CE2 3.57Å; L313-Y336 HydrophobicContact CD2-CD2 3.58Å; L313-Y336 HydrophobicContact CD2-CE2 4.34Å; L313-Y336 HydrophobicContact CD2-CG 4.3Å; L313-Y336 HydrophobicContact CG-CD2 4.28Å
314	D	96.4	Very high	96.2	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-56.7	-39.7	177.1	-67.3	-29.1	0	0	0	111.3	K311 V312 Q318	K311-D314 WeakPolarHBondContact O-CB 3.49Å; K311-D314 PolarHBondContact O-N 3.05Å; V312-D314 VanDerWaalsContact C-N 3.25Å; V312-D314 PolarHBondContact O-N 3.23Å; D314-Q318 WeakPolarHBondContact O-CG 3.19Å; D314-Q318 PolarHBondContact O-N 3.39Å
315	W	96.9	Very high	96.1	Very high	59 Å²	59	37.9 Å²	37.9	22%	0.223	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-40.8	175.7	-51.2	-23.8	0	0	0	112.3	W262 E266 V269 Y274 V312 L313 L317 Q318 T319	W262-W315 AromaticContact CH2-CH2 3.66Å; W262-W315 HydrophobicContact CH2-CH2 3.66Å; W262-W315 AromaticContact CH2-CZ2 3.9Å; W262-W315 HydrophobicContact CH2-CZ2 3.9Å; W262-W315 HydrophobicContact CH2-CZ3 4.38Å; W262-W315 AromaticContact CZ2-CH2 3.82Å; W262-W315 HydrophobicContact CZ2-CH2 3.82Å; W262-W315 AromaticContact CZ2-CZ2 3.61Å; W262-W315 HydrophobicContact CZ2-CZ2 3.61Å; E266-W315 HydrophobicContact CG-CZ2 4.48Å; V269-W315 HydrophobicContact CG1-CH2 4.2Å; V269-W315 HydrophobicContact CG1-CZ3 3.9Å; Y274-W315 HydrophobicContact CE1-CB 3.85Å; Y274-W315 PolarHBondContact OH-O 2.82Å; Y274-W315 VanDerWaalsContact OH-O 3.13Å; V312-W315 HydrophobicContact CB-CE3 4.37Å; V312-W315 HydrophobicContact CG1-CE3 4.16Å; V312-W315 HydrophobicContact CG2-CE3 4.14Å; V312-W315 HydrophobicContact CG2-CZ3 4.05Å; V312-W315 WeakPolarHBondContact O-CB 3.19Å; V312-W315 PolarHBondContact O-N 2.87Å; L313-W315 PolarHBondContact O-N 3.41Å; W315-L317 VanDerWaalsContact C-N 3.3Å; W315-L317 PolarHBondContact O-N 2.81Å; W315-Q318 WeakPolarHBondContact O-CB 3.29Å; W315-Q318 PolarHBondContact O-N 3.42Å; W315-T319 PolarHBondContact O-N 3.07Å; W315-T319 VanDerWaalsContact O-N 3.16Å; W315-T319 PolarHBondContact O-OG1 2.7Å
316	M	97.6	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-38.9	176.7	-65.9	169.3	72.5	0	0	111.7	I147 V154 Y274 V312 L313 Q318 T319 I320	I147-M316 HydrophobicContact CD1-CB 4.27Å; I147-M316 HydrophobicContact CD1-CE 4.1Å; I147-M316 HydrophobicContact CG1-CE 4.03Å; V154-M316 HydrophobicContact CB-CE 4.1Å; V154-M316 HydrophobicContact CG2-CB 4.04Å; V154-M316 HydrophobicContact CG2-CE 3.65Å; V154-M316 HydrophobicContact CG2-CG 4.37Å; V154-M316 WeakPolarHBondContact O-CE 3.33Å; Y274-M316 HydrophobicContact CD2-CG 4.18Å; Y274-M316 HydrophobicContact CE2-CG 4.17Å; Y274-M316 HydrophobicContact CG-CG 4.45Å; V312-M316 HydrophobicContact CG1-CG 4.23Å; V312-M316 HydrophobicContact CG1-SD 4.21Å; V312-M316 WeakPolarHBondContact O-CG 3.37Å; V312-M316 PolarHBondContact O-N 2.9Å; L313-M316 PolarHBondContact O-N 3.34Å; L313-M316 VanDerWaalsContact O-N 3.12Å; M316-Q318 VanDerWaalsContact C-N 3.35Å; M316-T319 PolarHBondContact O-N 3.45Å; M316-I320 PolarHBondContact O-N 2.9Å; M316-I320 VanDerWaalsContact O-N 3.13Å
317	L	97.3	Very high	95.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-31.9	177.7	-66.8	178.8	0	0	0	112.8	I147 L313 W315 I320 G321 V322 A323 C329 F332	I147-L317 HydrophobicContact CD1-CD2 4.12Å; L313-L317 HydrophobicContact CD1-CD1 4.36Å; L313-L317 HydrophobicContact CD1-CD2 4.18Å; L313-L317 HydrophobicContact CD1-CG 3.99Å; L313-L317 HydrophobicContact CG-CD1 4.06Å; L313-L317 HydrophobicContact CG-CG 4.14Å; L313-L317 VanDerWaalsContact O-CG 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.09Å; W315-L317 VanDerWaalsContact C-N 3.3Å; W315-L317 PolarHBondContact O-N 2.81Å; L317-I320 HydrophobicContact CD2-CD1 3.96Å; L317-G321 PolarHBondContact O-N 2.85Å; L317-V322 HydrophobicContact CB-CG2 4.03Å; L317-V322 HydrophobicContact CD2-CG2 3.7Å; L317-V322 HydrophobicContact CG-CG2 4.41Å; L317-V322 PolarHBondContact O-N 3.43Å; L317-A323 PolarHBondContact O-N 2.81Å; L317-C329 HydrophobicContact CD1-CB 4.07Å; L317-F332 HydrophobicContact CD1-CB 4.11Å; L317-F332 HydrophobicContact CD2-CB 3.95Å; L317-F332 HydrophobicContact CD2-CD1 3.92Å; L317-F332 HydrophobicContact CD2-CD2 3.55Å; L317-F332 HydrophobicContact CD2-CE1 4.25Å; L317-F332 HydrophobicContact CD2-CE2 3.92Å; L317-F332 HydrophobicContact CD2-CG 3.55Å; L317-F332 HydrophobicContact CD2-CZ 4.25Å
318	Q	96.1	Very high	95.6	Very high	124 Å²	124	45.6 Å²	45.6	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-64.4	-45.6	171.4	-69.5	169.2	19.2	0	0	110.6	D314 W315 M316 I320 G321 A323	D314-Q318 WeakPolarHBondContact O-CG 3.19Å; D314-Q318 PolarHBondContact O-N 3.39Å; W315-Q318 WeakPolarHBondContact O-CB 3.29Å; W315-Q318 PolarHBondContact O-N 3.42Å; M316-Q318 VanDerWaalsContact C-N 3.35Å; Q318-I320 PolarHBondContact O-N 3.42Å; Q318-G321 PolarHBondContact O-N 3.08Å; Q318-A323 HydrophobicContact CB-CB 4.18Å; Q318-A323 HydrophobicContact CG-CB 3.53Å
319	T	95.8	Very high	95.5	Very high	50 Å²	50	46.6 Å²	46.6	31%	0.307	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-39.3	-178.1	-71.8	0	0	0	0	113.8	V154 Y274 H276 W315 M316 G321	V154-T319 HydrophobicContact CG1-CG2 3.78Å; Y274-T319 WeakPolarHBondContact OH-CB 3.12Å; Y274-T319 PolarHBondContact OH-OG1 2.86Å; H276-T319 WeakPolarHBondContact CE1-CG2 3.46Å; H276-T319 VanDerWaalsContact ND1-CG2 3.28Å; H276-T319 WeakPolarHBondContact ND1-CG2 3.19Å; W315-T319 PolarHBondContact O-N 3.07Å; W315-T319 VanDerWaalsContact O-N 3.16Å; W315-T319 PolarHBondContact O-OG1 2.7Å; M316-T319 PolarHBondContact O-N 3.45Å; T319-G321 PolarHBondContact O-N 3.06Å
320	I	95.2	Very high	95.5	Very high	9 Å²	9	50 Å²	50	5%	0.046	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	4.8	175.5	71	177.2	0	0	0	113.2	I147 F149 D152 V154 M316 L317 Q318 V322 F332	I147-I320 HydrophobicContact CD1-CD1 4.18Å; I147-I320 HydrophobicContact CG2-CD1 3.9Å; F149-I320 HydrophobicContact CB-CD1 4.47Å; F149-I320 HydrophobicContact CD1-CB 4.04Å; D152-I320 HydrophobicContact CB-CG2 4.26Å; V154-I320 HydrophobicContact CG1-CG2 4.1Å; V154-I320 HydrophobicContact CG2-CG2 3.76Å; M316-I320 PolarHBondContact O-N 2.9Å; M316-I320 VanDerWaalsContact O-N 3.13Å; L317-I320 HydrophobicContact CD2-CD1 3.96Å; Q318-I320 PolarHBondContact O-N 3.42Å; I320-V322 HydrophobicContact CD1-CG1 4.48Å; I320-V322 HydrophobicContact CD1-CG2 3.85Å; I320-V322 HydrophobicContact CG1-CG1 4.22Å; I320-V322 HydrophobicContact CG1-CG2 3.75Å; I320-F332 HydrophobicContact CD1-CZ 4.13Å
321	G	94.3	Very high	95.4	Very high	48 Å²	48	54.6 Å²	54.6	50%	0.495	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	34.9	172.7	0	0	0	0	0	114.9	L317 Q318 T319	L317-G321 PolarHBondContact O-N 2.85Å; Q318-G321 PolarHBondContact O-N 3.08Å; T319-G321 PolarHBondContact O-N 3.06Å
322	V	94.3	Very high	95.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.284	C	S	.	.			trans	-120.2	-0	177.5	-54.9	0	0	0	0	114	V104 F149 L317 I320 D324 K325 I328 C329 F332	V104-V322 HydrophobicContact CG1-CG1 3.75Å; F149-V322 HydrophobicContact CE1-CG1 4.12Å; F149-V322 HydrophobicContact CZ-CG1 4.41Å; L317-V322 HydrophobicContact CB-CG2 4.03Å; L317-V322 HydrophobicContact CD2-CG2 3.7Å; L317-V322 HydrophobicContact CG-CG2 4.41Å; L317-V322 PolarHBondContact O-N 3.43Å; I320-V322 HydrophobicContact CD1-CG1 4.48Å; I320-V322 HydrophobicContact CD1-CG2 3.85Å; I320-V322 HydrophobicContact CG1-CG1 4.22Å; I320-V322 HydrophobicContact CG1-CG2 3.75Å; V322-D324 PolarHBondContact O-N 3.08Å; V322-K325 WeakPolarHBondContact O-CB 3.41Å; V322-K325 PolarHBondContact O-N 2.81Å; V322-I328 HydrophobicContact CB-CG2 4.08Å; V322-I328 HydrophobicContact CG2-CG2 4.21Å; V322-C329 PolarHBondContact O-SG 3.17Å; V322-F332 HydrophobicContact CG2-CE2 4.34Å
323	A	92.4	Very high	95.4	Very high	45 Å²	45	52.7 Å²	52.7	37%	0.372	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.1	-175.1	0	0	0	0	0	114.5	L317 Q318 K325	L317-A323 PolarHBondContact O-N 2.81Å; Q318-A323 HydrophobicContact CB-CB 4.18Å; Q318-A323 HydrophobicContact CG-CB 3.53Å; A323-K325 PolarHBondContact O-N 3.31Å
324	D	92	Very high	95.3	Very high	130 Å²	130	58.5 Å²	58.5	70%	0.695	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.1	175.2	64.9	-39.3	0	0	0	113.1	V322 A326	V322-D324 PolarHBondContact O-N 3.08Å; D324-A326 PolarHBondContact O-N 3.17Å
325	K	92.9	Very high	95.3	Very high	91 Å²	91	56.6 Å²	56.6	40%	0.396	31%	0.311	S	S	.	.			trans	-101.6	81.2	-175.3	-63.3	166.4	-165.2	166.4	0	110.8	V322 A323 N327 I328 C329	V322-K325 WeakPolarHBondContact O-CB 3.41Å; V322-K325 PolarHBondContact O-N 2.81Å; A323-K325 PolarHBondContact O-N 3.31Å; K325-N327 VanDerWaalsContact C-N 3.26Å; K325-N327 PolarHBondContact O-N 3.37Å; K325-I328 HydrophobicContact CB-CB 3.95Å; K325-I328 HydrophobicContact CB-CD1 3.66Å; K325-I328 HydrophobicContact CB-CG1 4.22Å; K325-I328 HydrophobicContact CD-CD1 3.44Å; K325-I328 VanDerWaalsContact CD-CD1 3.44Å; K325-I328 HydrophobicContact CG-CD1 4.07Å; K325-I328 WeakPolarHBondContact O-CA 3.43Å; K325-I328 WeakPolarHBondContact O-CB 3.29Å; K325-I328 PolarHBondContact O-N 2.94Å; K325-C329 PolarHBondContact O-N 3.3Å; K325-C329 PolarHBondContact O-SG 2.72Å
326	A	93.2	Very high	95.4	Very high	67 Å²	67	53.8 Å²	53.8	55%	0.554	30%	0.301	S	S	*	.	H	α-helix	trans	-47.2	-41.9	-176.2	0	0	0	0	0	115	D324 I328 C329 T330	D324-A326 PolarHBondContact O-N 3.17Å; A326-I328 VanDerWaalsContact C-N 3.35Å; A326-I328 PolarHBondContact O-N 3.48Å; A326-C329 PolarHBondContact O-N 3.07Å; A326-T330 WeakPolarHBondContact O-CB 3.14Å; A326-T330 PolarHBondContact O-N 2.86Å; A326-T330 PolarHBondContact O-OG1 3.2Å
327	N	93.9	Very high	95.3	Very high	134 Å²	134	59 Å²	59	72%	0.717	32%	0.324	S	S	*	.	H	α-helix	trans	-65.1	-36.5	177.5	-71.4	-19.1	0	0	0	112.8	K325 R331	K325-N327 VanDerWaalsContact C-N 3.26Å; K325-N327 PolarHBondContact O-N 3.37Å; N327-R331 WeakPolarHBondContact O-CG 3.15Å; N327-R331 PolarHBondContact O-N 3.02Å
328	I	94.2	Very high	95.2	Very high	22 Å²	22	61.8 Å²	61.8	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-72.3	-45.2	176.9	-73.1	158.8	0	0	0	109.8	V104 V322 K325 A326 T330 R331 F332	V104-I328 HydrophobicContact CB-CD1 4.45Å; V104-I328 HydrophobicContact CG1-CD1 3.82Å; V104-I328 HydrophobicContact CG1-CG2 4.36Å; V104-I328 HydrophobicContact CG2-CG2 3.93Å; V322-I328 HydrophobicContact CB-CG2 4.08Å; V322-I328 HydrophobicContact CG2-CG2 4.21Å; K325-I328 HydrophobicContact CB-CB 3.95Å; K325-I328 HydrophobicContact CB-CD1 3.66Å; K325-I328 HydrophobicContact CB-CG1 4.22Å; K325-I328 HydrophobicContact CD-CD1 3.44Å; K325-I328 VanDerWaalsContact CD-CD1 3.44Å; K325-I328 HydrophobicContact CG-CD1 4.07Å; K325-I328 WeakPolarHBondContact O-CA 3.43Å; K325-I328 WeakPolarHBondContact O-CB 3.29Å; K325-I328 PolarHBondContact O-N 2.94Å; A326-I328 VanDerWaalsContact C-N 3.35Å; A326-I328 PolarHBondContact O-N 3.48Å; I328-T330 VanDerWaalsContact C-N 3.29Å; I328-T330 PolarHBondContact O-N 3.44Å; I328-R331 WeakPolarHBondContact O-CB 3.32Å; I328-R331 PolarHBondContact O-N 3.14Å; I328-R331 VanDerWaalsContact O-N 3.12Å; I328-F332 HydrophobicContact CG2-CD2 3.84Å; I328-F332 HydrophobicContact CG2-CE2 3.71Å; I328-F332 WeakPolarHBondContact O-CD2 3.42Å; I328-F332 PolarHBondContact O-N 2.96Å; I328-F332 VanDerWaalsContact O-N 3.09Å
329	C	95.6	Very high	95.2	Very high	23 Å²	23	55.9 Å²	55.9	16%	0.155	32%	0.316	C	S	.	.	H	α-helix	trans	-55.6	-45.2	175.5	-61.1	0	0	0	0	111.8	L317 V322 K325 A326 R331 F332 V333	L317-C329 HydrophobicContact CD1-CB 4.07Å; V322-C329 PolarHBondContact O-SG 3.17Å; K325-C329 PolarHBondContact O-N 3.3Å; K325-C329 PolarHBondContact O-SG 2.72Å; A326-C329 PolarHBondContact O-N 3.07Å; C329-R331 VanDerWaalsContact C-N 3.32Å; C329-R331 PolarHBondContact O-N 3.31Å; C329-F332 PolarHBondContact O-N 3.38Å; C329-V333 WeakPolarHBondContact O-CG2 3.41Å; C329-V333 PolarHBondContact O-N 3.28Å
330	T	96.2	Very high	95.2	Very high	72 Å²	72	53.6 Å²	53.6	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-43.4	177.4	-56.9	0	0	0	0	111.7	A326 I328 F332 V333 E334	A326-T330 WeakPolarHBondContact O-CB 3.14Å; A326-T330 PolarHBondContact O-N 2.86Å; A326-T330 PolarHBondContact O-OG1 3.2Å; I328-T330 VanDerWaalsContact C-N 3.29Å; I328-T330 PolarHBondContact O-N 3.44Å; T330-F332 PolarHBondContact O-N 2.95Å; T330-V333 PolarHBondContact O-N 2.81Å; T330-E334 HydrophobicContact CG2-CG 4.5Å; T330-E334 WeakPolarHBondContact O-CG 3.48Å; T330-E334 PolarHBondContact O-N 3.29Å
331	R	96	Very high	95	Very high	125 Å²	125	55.7 Å²	55.7	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.5	-71.1	173.3	-179.7	179.4	-0.8	112.6	I102 N327 I328 C329 E334 V335	I102-R331 HydrophobicContact CG2-CB 4.23Å; N327-R331 WeakPolarHBondContact O-CG 3.15Å; N327-R331 PolarHBondContact O-N 3.02Å; I328-R331 WeakPolarHBondContact O-CB 3.32Å; I328-R331 PolarHBondContact O-N 3.14Å; I328-R331 VanDerWaalsContact O-N 3.12Å; C329-R331 VanDerWaalsContact C-N 3.32Å; C329-R331 PolarHBondContact O-N 3.31Å; R331-E334 PolarHBondContact O-N 2.86Å; R331-V335 WeakPolarHBondContact O-CB 3.5Å; R331-V335 VanDerWaalsContact O-CG2 3.29Å; R331-V335 WeakPolarHBondContact O-CG2 3.28Å; R331-V335 PolarHBondContact O-N 2.89Å
332	F	97.4	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-45.4	175.2	-86.5	-83	0	0	0	111.7	I102 V104 A109 A111 I147 L313 L317 I320 V322 I328 C329 T330 V335 Y336	I102-F332 HydrophobicContact CB-CZ 4.45Å; I102-F332 HydrophobicContact CD1-CB 4.26Å; I102-F332 HydrophobicContact CD1-CD1 3.33Å; I102-F332 HydrophobicContact CD1-CD2 4.13Å; I102-F332 HydrophobicContact CD1-CE1 3.61Å; I102-F332 HydrophobicContact CD1-CE2 4.36Å; I102-F332 HydrophobicContact CD1-CG 3.62Å; I102-F332 HydrophobicContact CD1-CZ 4.13Å; I102-F332 HydrophobicContact CG2-CD2 4.26Å; I102-F332 HydrophobicContact CG2-CE2 4.05Å; I102-F332 HydrophobicContact CG2-CZ 4.39Å; V104-F332 HydrophobicContact CG2-CE2 4.12Å; V104-F332 HydrophobicContact CG2-CZ 4.48Å; A109-F332 HydrophobicContact CB-CE1 4.13Å; A109-F332 HydrophobicContact CB-CZ 3.54Å; A111-F332 HydrophobicContact CB-CD1 4.36Å; A111-F332 HydrophobicContact CB-CE1 4.38Å; I147-F332 HydrophobicContact CD1-CD1 4.08Å; I147-F332 HydrophobicContact CD1-CE1 3.88Å; I147-F332 HydrophobicContact CG1-CE1 4.15Å; I147-F332 HydrophobicContact CG2-CE1 3.88Å; I147-F332 HydrophobicContact CG2-CZ 4.26Å; L313-F332 HydrophobicContact CD2-CB 4.42Å; L317-F332 HydrophobicContact CD1-CB 4.11Å; L317-F332 HydrophobicContact CD2-CB 3.95Å; L317-F332 HydrophobicContact CD2-CD1 3.92Å; L317-F332 HydrophobicContact CD2-CD2 3.55Å; L317-F332 HydrophobicContact CD2-CE1 4.25Å; L317-F332 HydrophobicContact CD2-CE2 3.92Å; L317-F332 HydrophobicContact CD2-CG 3.55Å; L317-F332 HydrophobicContact CD2-CZ 4.25Å; I320-F332 HydrophobicContact CD1-CZ 4.13Å; V322-F332 HydrophobicContact CG2-CE2 4.34Å; I328-F332 HydrophobicContact CG2-CD2 3.84Å; I328-F332 HydrophobicContact CG2-CE2 3.71Å; I328-F332 WeakPolarHBondContact O-CD2 3.42Å; I328-F332 PolarHBondContact O-N 2.96Å; I328-F332 VanDerWaalsContact O-N 3.09Å; C329-F332 PolarHBondContact O-N 3.38Å; T330-F332 PolarHBondContact O-N 2.95Å; F332-V335 PolarHBondContact O-N 3.21Å; F332-Y336 HydrophobicContact CD1-CE2 4.2Å; F332-Y336 WeakPolarHBondContact O-CD2 3.28Å; F332-Y336 PolarHBondContact O-N 3.31Å
333	V	96.9	Very high	94.6	Very high	34 Å²	34	56.7 Å²	56.7	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-45.8	178.5	170.7	0	0	0	0	111.5	L310 L313 C329 T330 Y336 K337	L310-V333 HydrophobicContact CD2-CG1 4.33Å; L313-V333 HydrophobicContact CD2-CG2 4.04Å; C329-V333 WeakPolarHBondContact O-CG2 3.41Å; C329-V333 PolarHBondContact O-N 3.28Å; T330-V333 PolarHBondContact O-N 2.81Å; V333-Y336 PolarHBondContact O-N 2.82Å; V333-K337 HydrophobicContact CG1-CD 4.11Å; V333-K337 WeakPolarHBondContact O-CB 3.31Å; V333-K337 VanDerWaalsContact O-CG 3.28Å; V333-K337 WeakPolarHBondContact O-CG 3.38Å; V333-K337 PolarHBondContact O-N 3.46Å
334	E	96.7	Very high	94.4	Very high	121 Å²	121	54.8 Å²	54.8	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-63	-43.7	177.9	-73.4	175.2	170.3	0	0	112.2	T330 R331 K337 S338	T330-E334 HydrophobicContact CG2-CG 4.5Å; T330-E334 WeakPolarHBondContact O-CG 3.48Å; T330-E334 PolarHBondContact O-N 3.29Å; R331-E334 PolarHBondContact O-N 2.86Å; E334-K337 PolarHBondContact O-N 3.34Å; E334-S338 PolarHBondContact O-N 3.32Å
335	V	96.7	Very high	93.9	Very high	31 Å²	31	50.1 Å²	50.1	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-50.6	176.6	160.3	0	0	0	0	110.9	K100 I102 A111 R331 F332 K337 S338 C339	K100-V335 HydrophobicContact CB-CG1 3.51Å; K100-V335 HydrophobicContact CB-CG2 4.46Å; K100-V335 HydrophobicContact CG-CG1 3.8Å; I102-V335 HydrophobicContact CD1-CB 3.98Å; I102-V335 HydrophobicContact CD1-CG1 4.04Å; I102-V335 HydrophobicContact CD1-CG2 3.95Å; I102-V335 HydrophobicContact CG1-CG2 4.01Å; A111-V335 HydrophobicContact CB-CG1 3.83Å; R331-V335 WeakPolarHBondContact O-CB 3.5Å; R331-V335 VanDerWaalsContact O-CG2 3.29Å; R331-V335 WeakPolarHBondContact O-CG2 3.28Å; R331-V335 PolarHBondContact O-N 2.89Å; F332-V335 PolarHBondContact O-N 3.21Å; V335-K337 PolarHBondContact O-N 3.38Å; V335-S338 WeakPolarHBondContact O-CB 3.38Å; V335-S338 PolarHBondContact O-N 3.06Å; V335-S338 VanDerWaalsContact O-N 3.15Å; V335-C339 PolarHBondContact O-N 3.34Å; V335-C339 PolarHBondContact O-SG 3Å
336	Y	97.8	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-37.2	-179.7	-84.8	-62.4	0	0	0	112.6	A111 C112 Q145 V146 I147 L313 F332 V333 S338 C339 W340	A111-Y336 HydrophobicContact CB-CD2 4.5Å; A111-Y336 HydrophobicContact CB-CE1 4.29Å; A111-Y336 HydrophobicContact CB-CE2 3.82Å; C112-Y336 PolarHBondContact N-OH 3.5Å; C112-Y336 WeakPolarHBondContact O-CE1 3.35Å; Q145-Y336 HydrophobicContact CG-CD1 3.79Å; Q145-Y336 HydrophobicContact CG-CE1 3.28Å; Q145-Y336 HydrophobicContact CG-CE2 4.3Å; V146-Y336 VanDerWaalsContact C-OH 3.29Å; V146-Y336 PolarHBondContact O-OH 3.02Å; I147-Y336 HydrophobicContact CD1-CE2 4.25Å; I147-Y336 HydrophobicContact CG1-CE2 4.08Å; I147-Y336 VanDerWaalsContact CG1-OH 3.26Å; I147-Y336 WeakPolarHBondContact CG1-OH 3.46Å; L313-Y336 HydrophobicContact CD1-CD2 3.7Å; L313-Y336 HydrophobicContact CD1-CE2 3.57Å; L313-Y336 HydrophobicContact CD2-CD2 3.58Å; L313-Y336 HydrophobicContact CD2-CE2 4.34Å; L313-Y336 HydrophobicContact CD2-CG 4.3Å; L313-Y336 HydrophobicContact CG-CD2 4.28Å; F332-Y336 HydrophobicContact CD1-CE2 4.2Å; F332-Y336 WeakPolarHBondContact O-CD2 3.28Å; F332-Y336 PolarHBondContact O-N 3.31Å; V333-Y336 PolarHBondContact O-N 2.82Å; Y336-S338 VanDerWaalsContact C-N 3.29Å; Y336-S338 PolarHBondContact O-N 3.07Å; Y336-C339 PolarHBondContact O-N 3.04Å; Y336-W340 WeakPolarHBondContact O-CB 3.35Å; Y336-W340 PolarHBondContact O-N 3.15Å
337	K	96.3	Very high	92.9	Very high	111 Å²	111	45.2 Å²	45.2	48%	0.483	23%	0.234	S	C	.	.	H	α-helix	trans	-54.8	-46.4	170.8	-79.3	173.7	178.9	174.8	0	111.3	L310 V333 E334 V335 W340 V341	L310-K337 HydrophobicContact CD1-CG 3.77Å; L310-K337 HydrophobicContact CD2-CG 4.34Å; V333-K337 HydrophobicContact CG1-CD 4.11Å; V333-K337 WeakPolarHBondContact O-CB 3.31Å; V333-K337 VanDerWaalsContact O-CG 3.28Å; V333-K337 WeakPolarHBondContact O-CG 3.38Å; V333-K337 PolarHBondContact O-N 3.46Å; E334-K337 PolarHBondContact O-N 3.34Å; V335-K337 PolarHBondContact O-N 3.38Å; K337-W340 PolarHBondContact O-N 2.9Å; K337-V341 WeakPolarHBondContact O-CG2 3.4Å; K337-V341 PolarHBondContact O-N 2.98Å; K337-V341 VanDerWaalsContact O-N 3.11Å
338	S	95.6	Very high	92.1	Very high	60 Å²	60	39.1 Å²	39.1	42%	0.42	20%	0.202	S	C	.	.	H	α-helix	trans	-62.5	-46.4	176.8	-174.1	0	0	0	0	112.3	E334 V335 Y336 W340 V341 Q342	E334-S338 PolarHBondContact O-N 3.32Å; V335-S338 WeakPolarHBondContact O-CB 3.38Å; V335-S338 PolarHBondContact O-N 3.06Å; V335-S338 VanDerWaalsContact O-N 3.15Å; Y336-S338 VanDerWaalsContact C-N 3.29Å; Y336-S338 PolarHBondContact O-N 3.07Å; S338-W340 VanDerWaalsContact C-N 3.34Å; S338-W340 PolarHBondContact O-N 3.3Å; S338-V341 PolarHBondContact O-N 3.32Å; S338-Q342 PolarHBondContact O-N 2.8Å; S338-Q342 VanDerWaalsContact O-N 3.08Å
339	C	95.1	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-42.6	177	-64.8	0	0	0	0	112	E98 L113 V335 Y336 V341 Q342 N343	E98-C339 HydrophobicContact CB-CB 4.02Å; E98-C339 HydrophobicContact CG-CB 4.44Å; L113-C339 HydrophobicContact CB-CB 3.98Å; L113-C339 HydrophobicContact CD2-CB 3.98Å; V335-C339 PolarHBondContact O-N 3.34Å; V335-C339 PolarHBondContact O-SG 3Å; Y336-C339 PolarHBondContact O-N 3.04Å; C339-V341 PolarHBondContact O-N 2.8Å; C339-Q342 PolarHBondContact O-N 2.87Å; C339-N343 WeakPolarHBondContact O-CB 3.32Å; C339-N343 PolarHBondContact O-N 3.03Å
340	W	95.8	Very high	90	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-35.5	178.6	-84	110.3	0	0	0	113.1	L113 T143 N302 Q305 S306 Y336 K337 S338 G344	L113-W340 HydrophobicContact CD1-CD2 4.25Å; L113-W340 HydrophobicContact CD1-CH2 4.14Å; L113-W340 HydrophobicContact CD1-CZ2 3.66Å; L113-W340 HydrophobicContact CD2-CB 4.46Å; L113-W340 HydrophobicContact CD2-CD2 3.74Å; L113-W340 HydrophobicContact CD2-CE3 4.04Å; L113-W340 HydrophobicContact CD2-CG 3.95Å; T143-W340 HydrophobicContact CG2-CH2 3.39Å; T143-W340 HydrophobicContact CG2-CZ2 4.16Å; T143-W340 HydrophobicContact CG2-CZ3 3.77Å; N302-W340 PolarHBondContact ND2-O 2.84Å; Q305-W340 HydrophobicContact CB-CE3 4.48Å; Q305-W340 HydrophobicContact CB-CH2 3.64Å; Q305-W340 HydrophobicContact CB-CZ3 3.56Å; S306-W340 VanDerWaalsContact OG-CB 3.32Å; S306-W340 WeakPolarHBondContact OG-CB 3.46Å; Y336-W340 WeakPolarHBondContact O-CB 3.35Å; Y336-W340 PolarHBondContact O-N 3.15Å; K337-W340 PolarHBondContact O-N 2.9Å; S338-W340 VanDerWaalsContact C-N 3.34Å; S338-W340 PolarHBondContact O-N 3.3Å; W340-G344 PolarHBondContact O-N 2.71Å; W340-G344 VanDerWaalsContact O-N 3.14Å
341	V	91.5	Very high	88.7	Confident	53 Å²	53	37.9 Å²	37.9	32%	0.321	19%	0.187	S	C	.	.	H	α-helix	trans	-63.6	-51.2	172.6	171	0	0	0	0	110.1	K337 S338 C339 N343 G344 D345	K337-V341 WeakPolarHBondContact O-CG2 3.4Å; K337-V341 PolarHBondContact O-N 2.98Å; K337-V341 VanDerWaalsContact O-N 3.11Å; S338-V341 PolarHBondContact O-N 3.32Å; C339-V341 PolarHBondContact O-N 2.8Å; V341-N343 VanDerWaalsContact C-N 3.29Å; V341-N343 PolarHBondContact O-N 3.31Å; V341-G344 PolarHBondContact O-N 2.93Å; V341-G344 VanDerWaalsContact O-N 3.15Å; V341-D345 PolarHBondContact O-N 2.96Å; V341-D345 VanDerWaalsContact O-N 3.1Å
342	Q	89.8	Confident	87.2	Confident	68 Å²	68	32.9 Å²	32.9	32%	0.318	17%	0.17	S	C	.	.	H	α-helix	trans	-59.8	-40	178.1	-67.5	-55.4	-46.4	0	0	112.1	E98 S338 C339 G344 D345 Q346	E98-Q342 HydrophobicContact CG-CB 4.16Å; S338-Q342 PolarHBondContact O-N 2.8Å; S338-Q342 VanDerWaalsContact O-N 3.08Å; C339-Q342 PolarHBondContact O-N 2.87Å; Q342-G344 VanDerWaalsContact C-N 3.35Å; Q342-G344 PolarHBondContact O-N 2.87Å; Q342-D345 PolarHBondContact O-N 2.5Å; Q342-Q346 VanDerWaalsContact O-CG 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.1Å; Q342-Q346 PolarHBondContact O-N 3.06Å
343	N	90.9	Very high	85.5	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-46.5	175.5	-176.6	45.7	0	0	0	112.7	L113 S115 N302 C339 V341 D345 C347	L113-N343 HydrophobicContact CD2-CB 3.72Å; S115-N343 VanDerWaalsContact CB-OD1 3.23Å; S115-N343 WeakPolarHBondContact CB-OD1 3.02Å; S115-N343 PolarHBondContact OG-ND2 2.9Å; S115-N343 VanDerWaalsContact OG-ND2 3.13Å; S115-N343 PolarHBondContact OG-OD1 2.63Å; N302-N343 PolarHBondContact OD1-ND2 3.06Å; C339-N343 WeakPolarHBondContact O-CB 3.32Å; C339-N343 PolarHBondContact O-N 3.03Å; V341-N343 VanDerWaalsContact C-N 3.29Å; V341-N343 PolarHBondContact O-N 3.31Å; N343-D345 VanDerWaalsContact C-N 3.35Å; N343-D345 PolarHBondContact O-N 2.86Å; N343-C347 VanDerWaalsContact O-CB 3.26Å; N343-C347 WeakPolarHBondContact O-CB 3.13Å; N343-C347 PolarHBondContact O-N 3.2Å; N343-C347 PolarHBondContact O-SG 3.38Å; N343-C347 PolarHBondContact OD1-SG 3.45Å
344	G	87.6	Confident	83	Confident	6 Å²	6	35.9 Å²	35.9	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-46.4	176.2	0	0	0	0	0	112.2	W340 V341 Q342 S348	W340-G344 PolarHBondContact O-N 2.71Å; W340-G344 VanDerWaalsContact O-N 3.14Å; V341-G344 PolarHBondContact O-N 2.93Å; V341-G344 VanDerWaalsContact O-N 3.15Å; Q342-G344 VanDerWaalsContact C-N 3.35Å; Q342-G344 PolarHBondContact O-N 2.87Å; G344-S348 VanDerWaalsContact O-CB 3.29Å; G344-S348 WeakPolarHBondContact O-CB 3.21Å; G344-S348 PolarHBondContact O-N 2.77Å
345	D	82.8	Confident	80.1	Confident	32 Å²	32	32 Å²	32	17%	0.171	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-46.5	-179.5	-74.8	-19.6	0	0	0	112.9	V341 Q342 N343 S348 K349 A355 A356	V341-D345 PolarHBondContact O-N 2.96Å; V341-D345 VanDerWaalsContact O-N 3.1Å; Q342-D345 PolarHBondContact O-N 2.5Å; N343-D345 VanDerWaalsContact C-N 3.35Å; N343-D345 PolarHBondContact O-N 2.86Å; D345-S348 PolarHBondContact O-N 2.77Å; D345-K349 WeakPolarHBondContact O-CG 3.37Å; D345-K349 PolarHBondContact O-N 3.39Å; D345-K349 VanDerWaalsContact O-N 3.08Å; D345-A355 HydrophobicContact CB-CB 4.37Å; D345-A356 WeakPolarHBondContact OD1-CB 3.47Å; D345-A356 PolarHBondContact OD1-N 3.48Å
346	Q	82	Confident	77.5	Confident	51 Å²	51	31.9 Å²	31.9	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-73.4	-40.9	-176.5	-60.8	-59.4	-23	0	0	111.7	V96 Q342 S348 K349 L350	V96-Q346 HydrophobicContact CB-CB 4.41Å; V96-Q346 HydrophobicContact CG1-CB 4.03Å; V96-Q346 HydrophobicContact CG1-CG 4.23Å; V96-Q346 HydrophobicContact CG2-CB 3.48Å; V96-Q346 VanDerWaalsContact CG2-CB 3.48Å; Q342-Q346 VanDerWaalsContact O-CG 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.1Å; Q342-Q346 PolarHBondContact O-N 3.06Å; Q346-S348 VanDerWaalsContact C-N 3.26Å; Q346-S348 PolarHBondContact O-N 3.07Å; Q346-K349 VanDerWaalsContact NE2-NZ 3.12Å; Q346-K349 PolarHBondContact O-N 3.11Å; Q346-L350 PolarHBondContact O-N 3.07Å; Q346-L350 VanDerWaalsContact O-N 3.14Å
347	C	81.4	Confident	74.5	Confident	4 Å²	4	36.2 Å²	36.2	3%	0.027	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-38.9	171.2	-74.2	0	0	0	0	111.8	R160 N343 L350 Y351	R160-C347 PolarHBondContact NH2-SG 2.8Å; N343-C347 VanDerWaalsContact O-CB 3.26Å; N343-C347 WeakPolarHBondContact O-CB 3.13Å; N343-C347 PolarHBondContact O-N 3.2Å; N343-C347 PolarHBondContact O-SG 3.38Å; N343-C347 PolarHBondContact OD1-SG 3.45Å; C347-L350 PolarHBondContact O-N 2.97Å; C347-Y351 PolarHBondContact O-N 3.36Å
348	S	78.5	Confident	71.7	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-38.7	176.6	-177.7	0	0	0	0	112.6	G344 D345 Q346 Y351 T352 T354	G344-S348 VanDerWaalsContact O-CB 3.29Å; G344-S348 WeakPolarHBondContact O-CB 3.21Å; G344-S348 PolarHBondContact O-N 2.77Å; D345-S348 PolarHBondContact O-N 2.77Å; Q346-S348 VanDerWaalsContact C-N 3.26Å; Q346-S348 PolarHBondContact O-N 3.07Å; S348-Y351 PolarHBondContact O-N 3.23Å; S348-T352 PolarHBondContact O-N 3.41Å; S348-T352 PolarHBondContact O-OG1 3Å; S348-T354 CarbonylContact C-O 3.39Å; S348-T354 WeakPolarHBondContact CB-O 3.32Å; S348-T354 PolarHBondContact OG-O 3.47Å
349	K	74.8	Confident	68.7	Low	71 Å²	71	38.2 Å²	38.2	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-40.7	175.9	-71.3	171.7	-168.6	169	0	111.9	D345 Q346 Y351 G353 T354 A355	D345-K349 WeakPolarHBondContact O-CG 3.37Å; D345-K349 PolarHBondContact O-N 3.39Å; D345-K349 VanDerWaalsContact O-N 3.08Å; Q346-K349 VanDerWaalsContact NE2-NZ 3.12Å; Q346-K349 PolarHBondContact O-N 3.11Å; K349-Y351 VanDerWaalsContact C-N 3.28Å; K349-Y351 PolarHBondContact O-N 3.49Å; K349-G353 WeakPolarHBondContact O-CA 3.36Å; K349-G353 PolarHBondContact O-N 3.2Å; K349-T354 WeakPolarHBondContact CA-O 3.42Å; K349-T354 PolarHBondContact N-O 2.76Å; K349-A355 HydrophobicContact CG-CB 4.37Å
350	L	70.8	Confident	65.6	Low	10 Å²	10	47.2 Å²	47.2	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-40.4	176.3	-74	172.4	0	0	0	111.5	I117 Q346 C347 K383	I117-L350 HydrophobicContact CD1-CB 4.16Å; I117-L350 HydrophobicContact CD1-CD1 3.54Å; I117-L350 HydrophobicContact CD1-CG 4.48Å; Q346-L350 PolarHBondContact O-N 3.07Å; Q346-L350 VanDerWaalsContact O-N 3.14Å; C347-L350 PolarHBondContact O-N 2.97Å; L350-K383 PolarHBondContact O-NZ 2.95Å
351	Y	68.1	Low	62.7	Low	10 Å²	10	50.2 Å²	50.2	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-84.6	-41.4	-176.3	-175.1	-122.7	0	0	0	115.2	G123 R125 R129 N139 L298 C347 S348 K349	G123-Y351 WeakPolarHBondContact O-CD2 3.43Å; G123-Y351 WeakPolarHBondContact O-CE2 3.36Å; R125-Y351 VanDerWaalsContact CA-CE2 3.49Å; R125-Y351 WeakPolarHBondContact CA-OH 3.23Å; R125-Y351 HydrophobicContact CB-CD1 4.06Å; R125-Y351 HydrophobicContact CB-CE1 3.6Å; R125-Y351 HydrophobicContact CB-CE2 4.23Å; R125-Y351 HydrophobicContact CG-CD1 4.37Å; R125-Y351 HydrophobicContact CG-CE1 3.59Å; R125-Y351 PolarHBondContact N-O 2.98Å; R125-Y351 PolarHBondContact O-OH 3.35Å; R129-Y351 PolarHBondContact NH1-OH 3.5Å; N139-Y351 WeakPolarHBondContact ND2-CE2 2.91Å; N139-Y351 VanDerWaalsContact ND2-CZ 3.35Å; N139-Y351 PolarHBondContact ND2-OH 2.83Å; N139-Y351 WeakPolarHBondContact OD1-CD2 3.46Å; N139-Y351 WeakPolarHBondContact OD1-CE2 3.5Å; L298-Y351 HydrophobicContact CD1-CD1 3.78Å; L298-Y351 HydrophobicContact CD1-CE1 4.3Å; L298-Y351 HydrophobicContact CD2-CD1 3.85Å; L298-Y351 HydrophobicContact CD2-CG 4.31Å; L298-Y351 HydrophobicContact CG-CD1 4Å; L298-Y351 HydrophobicContact CG-CE1 4.45Å; C347-Y351 PolarHBondContact O-N 3.36Å; S348-Y351 PolarHBondContact O-N 3.23Å; K349-Y351 VanDerWaalsContact C-N 3.28Å; K349-Y351 PolarHBondContact O-N 3.49Å
352	T	65.6	Low	60.2	Low	19 Å²	19	56.8 Å²	56.8	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-113.6	-10.3	-171.5	70.2	0	0	0	0	114.5	R125 L298 S348 T354	R125-T352 HydrophobicContact CB-CG2 4.39Å; L298-T352 HydrophobicContact CD1-CG2 3.85Å; S348-T352 PolarHBondContact O-N 3.41Å; S348-T352 PolarHBondContact O-OG1 3Å; T352-T354 PolarHBondContact O-N 3.03Å; T352-T354 PolarHBondContact OG1-N 3.44Å; T352-T354 VanDerWaalsContact OG1-N 3.08Å; T352-T354 PolarHBondContact OG1-O 3.35Å; T352-T354 VanDerWaalsContact OG1-O 3.06Å; T352-T354 PolarHBondContact OG1-OG1 2.99Å; T352-T354 VanDerWaalsContact OG1-OG1 3.08Å
353	G	59.9	Low	57.7	Low	52 Å²	52	62.7 Å²	62.7	54%	0.536	34%	0.344	S	S	.	.	S	Bend	trans	78.6	-3.3	-167.7	0	0	0	0	0	114.5	K349	K349-G353 WeakPolarHBondContact O-CA 3.36Å; K349-G353 PolarHBondContact O-N 3.2Å
354	T	45.2	Very low	55.1	Low	46 Å²	46	69.3 Å²	69.3	28%	0.282	37%	0.373	S	S	.	.	S	Bend	trans	-131.9	149.5	-178.9	59.7	0	0	0	0	114	S348 K349 T352 R372	S348-T354 CarbonylContact C-O 3.39Å; S348-T354 WeakPolarHBondContact CB-O 3.32Å; S348-T354 PolarHBondContact OG-O 3.47Å; K349-T354 WeakPolarHBondContact CA-O 3.42Å; K349-T354 PolarHBondContact N-O 2.76Å; T352-T354 PolarHBondContact O-N 3.03Å; T352-T354 PolarHBondContact OG1-N 3.44Å; T352-T354 VanDerWaalsContact OG1-N 3.08Å; T352-T354 PolarHBondContact OG1-O 3.35Å; T352-T354 VanDerWaalsContact OG1-O 3.06Å; T352-T354 PolarHBondContact OG1-OG1 2.99Å; T352-T354 VanDerWaalsContact OG1-OG1 3.08Å; T354-R372 HydrophobicContact CG2-CG 3.64Å
355	A	35.6	Very low	52.9	Low	39 Å²	39	71 Å²	71	32%	0.322	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62	155.2	173.3	0	0	0	0	0	111.2	D345 K349	D345-A355 HydrophobicContact CB-CB 4.37Å; K349-A355 HydrophobicContact CG-CB 4.37Å
356	A	42.1	Very low	50.7	Low	29 Å²	29	72.2 Å²	72.2	24%	0.24	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-68.4	140.5	172.6	0	0	0	0	0	108.7	D345	D345-A356 WeakPolarHBondContact OD1-CB 3.47Å; D345-A356 PolarHBondContact OD1-N 3.48Å
357	Q	36.2	Very low	48.6	Very low	90 Å²	90	73 Å²	73	42%	0.421	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-88.3	118	-179.8	-79.7	-165.3	-70.6	0	0	111.5	D365 R372	Q357-D365 PolarHBondContact NE2-OD1 3.07Å; Q357-R372 VanDerWaalsContact CD-CZ 3.48Å; Q357-R372 VanDerWaalsContact OE1-CZ 3.28Å
358	E	36.9	Very low	46.6	Very low	142 Å²	142	75.9 Å²	75.9	66%	0.664	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-78.3	124.6	152.6	-74.9	-168.9	158.1	0	0	109.5	K360	E358-K360 PolarHBondContact O-N 3.4Å
359	G	32.5	Very low	44.9	Very low	72 Å²	72	78.4 Å²	78.4	74%	0.742	44%	0.438	S	S	*	.			trans	-68.5	84.7	-168.1	0	0	0	0	0	115.6
360	K	29.6	Very low	43.2	Very low	188 Å²	188	79 Å²	79	82%	0.817	45%	0.447	S	S	*	.			trans	-124.9	85.3	167.3	-68.8	-176	-179.6	174.1	0	111.2	E358	E358-K360 PolarHBondContact O-N 3.4Å
361	S	35.1	Very low	41.5	Very low	66 Å²	66	81.7 Å²	81.7	46%	0.462	47%	0.467	S	S	.	.			trans	123.6	100.6	159.6	-176.2	0	0	0	0	115.9	F363 K364 D365	S361-F363 VanDerWaalsContact C-N 3.31Å; S361-F363 PolarHBondContact O-N 2.83Å; S361-F363 VanDerWaalsContact O-N 3.17Å; S361-K364 PolarHBondContact O-N 2.86Å; S361-D365 PolarHBondContact O-N 2.82Å; S361-D365 VanDerWaalsContact O-N 3.1Å; S361-D365 VanDerWaalsContact O-OD2 3.12Å
362	K	38.5	Very low	40.5	Very low	191 Å²	191	84 Å²	84	83%	0.83	48%	0.476	S	S	*	.	H	α-helix	trans	-55.4	-32	-179	-73.8	-176	174.7	-179.9	0	115.7
363	F	38.3	Very low	39.3	Very low	191 Å²	191	85.5 Å²	85.5	84%	0.838	48%	0.484	S	S	*	.	H	α-helix	trans	-85.7	-32	-177.6	-87.4	-84.8	0	0	0	113.2	S361	S361-F363 VanDerWaalsContact C-N 3.31Å; S361-F363 PolarHBondContact O-N 2.83Å; S361-F363 VanDerWaalsContact O-N 3.17Å
364	K	35.5	Very low	38.3	Very low	141 Å²	141	87.9 Å²	87.9	61%	0.613	48%	0.484	S	S	*	.	H	α-helix	trans	-73.9	-35.5	174.8	-136.5	179.3	179.7	178.3	0	110.5	S361 A366 S367 I368	S361-K364 PolarHBondContact O-N 2.86Å; K364-A366 VanDerWaalsContact C-N 3.31Å; K364-A366 PolarHBondContact O-N 2.97Å; K364-S367 PolarHBondContact O-N 3.34Å; K364-S367 PolarHBondContact O-OG 3.26Å; K364-I368 HydrophobicContact CB-CD1 4.35Å; K364-I368 HydrophobicContact CD-CD1 4.35Å; K364-I368 HydrophobicContact CG-CD1 3.92Å; K364-I368 WeakPolarHBondContact O-CB 3.39Å; K364-I368 WeakPolarHBondContact O-CG1 3.25Å; K364-I368 PolarHBondContact O-N 3.41Å; K364-I368 VanDerWaalsContact O-N 3.09Å
365	D	42.4	Very low	38.3	Very low	40 Å²	40	92 Å²	92	21%	0.214	50%	0.5	C	S	.	.	H	α-helix	trans	-58.3	-37.8	178	-71.7	-22.1	0	0	0	113.3	Q357 S361 S369	Q357-D365 PolarHBondContact NE2-OD1 3.07Å; S361-D365 PolarHBondContact O-N 2.82Å; S361-D365 VanDerWaalsContact O-N 3.1Å; S361-D365 VanDerWaalsContact O-OD2 3.12Å; D365-S369 WeakPolarHBondContact O-CA 3.25Å; D365-S369 WeakPolarHBondContact O-CB 3.33Å; D365-S369 PolarHBondContact O-N 3.27Å
366	A	36.3	Very low	38.8	Very low	58 Å²	58	91 Å²	91	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-49.4	179.5	0	0	0	0	0	112.7	K364 I368 S369 V370	K364-A366 VanDerWaalsContact C-N 3.31Å; K364-A366 PolarHBondContact O-N 2.97Å; A366-I368 PolarHBondContact O-N 3.4Å; A366-S369 PolarHBondContact O-N 3.17Å; A366-V370 WeakPolarHBondContact O-CG2 3.26Å; A366-V370 PolarHBondContact O-N 2.97Å
367	S	36.4	Very low	39.1	Very low	68 Å²	68	91.7 Å²	91.7	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-36.7	179.7	71.1	0	0	0	0	112.8	K364 S371	K364-S367 PolarHBondContact O-N 3.34Å; K364-S367 PolarHBondContact O-OG 3.26Å; S367-S371 WeakPolarHBondContact O-CB 3.32Å; S367-S371 PolarHBondContact O-N 2.96Å; S367-S371 PolarHBondContact O-OG 2.8Å
368	I	41	Very low	39.6	Very low	65 Å²	65	93.9 Å²	93.9	33%	0.333	51%	0.507	S	S	.	.	H	α-helix	trans	-73.9	-34.7	176.9	-56.9	170.1	0	0	0	109.9	K364 A366 R372	K364-I368 HydrophobicContact CB-CD1 4.35Å; K364-I368 HydrophobicContact CD-CD1 4.35Å; K364-I368 HydrophobicContact CG-CD1 3.92Å; K364-I368 WeakPolarHBondContact O-CB 3.39Å; K364-I368 WeakPolarHBondContact O-CG1 3.25Å; K364-I368 PolarHBondContact O-N 3.41Å; K364-I368 VanDerWaalsContact O-N 3.09Å; A366-I368 PolarHBondContact O-N 3.4Å; I368-R372 WeakPolarHBondContact O-CB 3.21Å; I368-R372 VanDerWaalsContact O-CG 3.29Å; I368-R372 WeakPolarHBondContact O-CG 3.49Å; I368-R372 PolarHBondContact O-N 3.1Å
369	S	41.2	Very low	40.5	Very low	58 Å²	58	91.1 Å²	91.1	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-41.7	173.5	178.3	0	0	0	0	111.8	D365 A366 R372 T373	D365-S369 WeakPolarHBondContact O-CA 3.25Å; D365-S369 WeakPolarHBondContact O-CB 3.33Å; D365-S369 PolarHBondContact O-N 3.27Å; A366-S369 PolarHBondContact O-N 3.17Å; S369-R372 WeakPolarHBondContact O-CB 3.26Å; S369-R372 PolarHBondContact O-N 3.48Å; S369-T373 WeakPolarHBondContact O-CB 3.03Å; S369-T373 PolarHBondContact O-N 3.34Å; S369-T373 PolarHBondContact O-OG1 2.7Å
370	V	39.3	Very low	42	Very low	84 Å²	84	88.1 Å²	88.1	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-66.5	-46.6	175.5	173.4	0	0	0	0	111.1	A366 R372 T373 I374	A366-V370 WeakPolarHBondContact O-CG2 3.26Å; A366-V370 PolarHBondContact O-N 2.97Å; V370-R372 VanDerWaalsContact C-N 3.34Å; V370-R372 PolarHBondContact O-N 3.18Å; V370-T373 PolarHBondContact O-N 3.44Å; V370-I374 HydrophobicContact CG1-CD1 3.94Å; V370-I374 WeakPolarHBondContact O-CG1 3.41Å; V370-I374 PolarHBondContact O-N 3Å
371	S	35.6	Very low	43.8	Very low	66 Å²	66	84.8 Å²	84.8	46%	0.462	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-38.4	175.4	-67.8	0	0	0	0	112.3	S367 T373 I374 Q375	S367-S371 WeakPolarHBondContact O-CB 3.32Å; S367-S371 PolarHBondContact O-N 2.96Å; S367-S371 PolarHBondContact O-OG 2.8Å; S371-T373 VanDerWaalsContact C-N 3.34Å; S371-I374 PolarHBondContact O-N 3.31Å; S371-Q375 WeakPolarHBondContact O-CB 3Å; S371-Q375 PolarHBondContact O-N 2.66Å
372	R	47	Very low	45.2	Very low	60 Å²	60	83.7 Å²	83.7	23%	0.226	44%	0.44	C	S	.	.	H	α-helix	trans	-60.7	-42.5	172.3	-89.9	-176.8	-112.6	155.6	15.9	112.4	T354 Q357 I368 S369 V370 I374 G376	T354-R372 HydrophobicContact CG2-CG 3.64Å; Q357-R372 VanDerWaalsContact CD-CZ 3.48Å; Q357-R372 VanDerWaalsContact OE1-CZ 3.28Å; I368-R372 WeakPolarHBondContact O-CB 3.21Å; I368-R372 VanDerWaalsContact O-CG 3.29Å; I368-R372 WeakPolarHBondContact O-CG 3.49Å; I368-R372 PolarHBondContact O-N 3.1Å; S369-R372 WeakPolarHBondContact O-CB 3.26Å; S369-R372 PolarHBondContact O-N 3.48Å; V370-R372 VanDerWaalsContact C-N 3.34Å; V370-R372 PolarHBondContact O-N 3.18Å; R372-I374 VanDerWaalsContact C-N 3.35Å; R372-G376 VanDerWaalsContact O-CA 3.24Å; R372-G376 WeakPolarHBondContact O-CA 3.41Å; R372-G376 PolarHBondContact O-N 3.05Å
373	T	41	Very low	46.7	Very low	49 Å²	49	75.5 Å²	75.5	30%	0.301	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-42	-179.6	-53.6	0	0	0	0	110	S369 V370 S371 N377	S369-T373 WeakPolarHBondContact O-CB 3.03Å; S369-T373 PolarHBondContact O-N 3.34Å; S369-T373 PolarHBondContact O-OG1 2.7Å; V370-T373 PolarHBondContact O-N 3.44Å; S371-T373 VanDerWaalsContact C-N 3.34Å; T373-N377 WeakPolarHBondContact CG2-ND2 3.4Å; T373-N377 WeakPolarHBondContact O-CB 3.26Å; T373-N377 PolarHBondContact O-N 3.08Å; T373-N377 PolarHBondContact O-ND2 3.21Å; T373-N377 VanDerWaalsContact O-ND2 3.08Å
374	I	38.8	Very low	48.2	Very low	102 Å²	102	67.1 Å²	67.1	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-73.2	-51.4	-179.3	-63.3	170.3	0	0	0	111.4	V370 S371 R372 L378	V370-I374 HydrophobicContact CG1-CD1 3.94Å; V370-I374 WeakPolarHBondContact O-CG1 3.41Å; V370-I374 PolarHBondContact O-N 3Å; S371-I374 PolarHBondContact O-N 3.31Å; R372-I374 VanDerWaalsContact C-N 3.35Å; I374-L378 HydrophobicContact CG2-CD1 4.14Å; I374-L378 WeakPolarHBondContact O-CD1 3.14Å; I374-L378 WeakPolarHBondContact O-CG 3.5Å; I374-L378 PolarHBondContact O-N 2.9Å
375	Q	44.8	Very low	49.7	Very low	133 Å²	133	67 Å²	67	62%	0.621	37%	0.369	S	S	*	.	H	α-helix	trans	-71	-42.5	-179.1	-77.4	-175.7	-24.3	0	0	112.6	S371 M379	S371-Q375 WeakPolarHBondContact O-CB 3Å; S371-Q375 PolarHBondContact O-N 2.66Å; Q375-M379 WeakPolarHBondContact O-CB 3.44Å; Q375-M379 WeakPolarHBondContact O-CG 3.24Å; Q375-M379 PolarHBondContact O-N 2.85Å
376	G	47.3	Very low	50.9	Low	18 Å²	18	65.7 Å²	65.7	19%	0.186	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-47.5	179.6	0	0	0	0	0	111.7	R372 L378 M379 D380	R372-G376 VanDerWaalsContact O-CA 3.24Å; R372-G376 WeakPolarHBondContact O-CA 3.41Å; R372-G376 PolarHBondContact O-N 3.05Å; G376-L378 PolarHBondContact O-N 2.78Å; G376-M379 PolarHBondContact O-N 2.82Å; G376-D380 WeakPolarHBondContact O-CB 3.47Å; G376-D380 PolarHBondContact O-N 2.77Å
377	N	47.2	Very low	52.5	Low	44 Å²	44	63 Å²	63	24%	0.235	34%	0.34	C	S	.	.	H	α-helix	trans	-70.4	-33.7	-176.5	-65.9	-12.7	0	0	0	113.2	F126 T373	F126-N377 WeakPolarHBondContact CD2-OD1 3.34Å; F126-N377 WeakPolarHBondContact CE2-OD1 3.45Å; T373-N377 WeakPolarHBondContact CG2-ND2 3.4Å; T373-N377 WeakPolarHBondContact O-CB 3.26Å; T373-N377 PolarHBondContact O-N 3.08Å; T373-N377 PolarHBondContact O-ND2 3.21Å; T373-N377 VanDerWaalsContact O-ND2 3.08Å
378	L	45.8	Very low	53.9	Low	135 Å²	135	62.5 Å²	62.5	71%	0.707	33%	0.332	S	S	*	.	H	α-helix	trans	-72.6	-39.6	176.4	-78.3	164.2	0	0	0	111.9	I374 G376	I374-L378 HydrophobicContact CG2-CD1 4.14Å; I374-L378 WeakPolarHBondContact O-CD1 3.14Å; I374-L378 WeakPolarHBondContact O-CG 3.5Å; I374-L378 PolarHBondContact O-N 2.9Å; G376-L378 PolarHBondContact O-N 2.78Å
379	M	57.1	Low	55	Low	85 Å²	85	65.7 Å²	65.7	42%	0.419	34%	0.344	S	S	.	.	H	α-helix	trans	-80.2	-24.9	-180	-66.4	-176.1	68.7	0	0	113	Q375 G376 K381 S382 K383	Q375-M379 WeakPolarHBondContact O-CB 3.44Å; Q375-M379 WeakPolarHBondContact O-CG 3.24Å; Q375-M379 PolarHBondContact O-N 2.85Å; G376-M379 PolarHBondContact O-N 2.82Å; M379-K381 VanDerWaalsContact C-N 3.35Å; M379-K381 PolarHBondContact O-N 3.41Å; M379-S382 PolarHBondContact O-N 2.74Å; M379-S382 VanDerWaalsContact O-N 3.17Å; M379-S382 PolarHBondContact O-OG 3.46Å; M379-K383 PolarHBondContact O-N 2.83Å
380	D	64.3	Low	56.1	Low	8 Å²	8	63.3 Å²	63.3	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-42.6	-175.5	-104.2	20.8	0	0	0	113.1	T124 N127 G376 K383 Q384	T124-D380 VanDerWaalsContact CB-CG 3.43Å; T124-D380 VanDerWaalsContact CB-OD2 3.24Å; T124-D380 WeakPolarHBondContact CB-OD2 3.17Å; T124-D380 WeakPolarHBondContact OG1-CB 3.5Å; T124-D380 PolarHBondContact OG1-OD2 3.45Å; N127-D380 PolarHBondContact ND2-O 2.78Å; N127-D380 VanDerWaalsContact ND2-O 3.07Å; G376-D380 WeakPolarHBondContact O-CB 3.47Å; G376-D380 PolarHBondContact O-N 2.77Å; D380-K383 PolarHBondContact O-N 3.49Å; D380-Q384 WeakPolarHBondContact O-CB 3.17Å; D380-Q384 PolarHBondContact O-N 3.05Å
381	K	66.3	Low	57.2	Low	119 Å²	119	60 Å²	60	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-46	177.5	-73.1	-172.7	179.1	-177.6	0	112.2	M379 K383 Q384 Q385	M379-K381 VanDerWaalsContact C-N 3.35Å; M379-K381 PolarHBondContact O-N 3.41Å; K381-K383 VanDerWaalsContact C-N 3.33Å; K381-K383 PolarHBondContact O-N 2.92Å; K381-Q384 PolarHBondContact O-N 3.44Å; K381-Q385 WeakPolarHBondContact O-CG 3.24Å; K381-Q385 PolarHBondContact O-N 3.48Å
382	S	64.9	Low	58.4	Low	42 Å²	42	62 Å²	62	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-38.7	178	71.8	0	0	0	0	112	M379 Q385 T386	M379-S382 PolarHBondContact O-N 2.74Å; M379-S382 VanDerWaalsContact O-N 3.17Å; M379-S382 PolarHBondContact O-OG 3.46Å; S382-Q385 PolarHBondContact O-N 3.19Å; S382-T386 WeakPolarHBondContact O-CB 3.46Å; S382-T386 PolarHBondContact O-N 2.84Å; S382-T386 PolarHBondContact O-OG1 3.08Å
383	K	70.1	Confident	58.9	Low	19 Å²	19	60.6 Å²	60.6	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-42.9	174.6	-170.7	179.4	-175.4	-173.2	0	111.1	L60 T124 L350 M379 D380 K381 T386 I387	L60-K383 HydrophobicContact CD1-CG 4.22Å; T124-K383 HydrophobicContact CG2-CB 4.05Å; T124-K383 HydrophobicContact CG2-CD 3.82Å; T124-K383 HydrophobicContact CG2-CG 4Å; L350-K383 PolarHBondContact O-NZ 2.95Å; M379-K383 PolarHBondContact O-N 2.83Å; D380-K383 PolarHBondContact O-N 3.49Å; K381-K383 VanDerWaalsContact C-N 3.33Å; K381-K383 PolarHBondContact O-N 2.92Å; K383-T386 WeakPolarHBondContact O-CB 3.4Å; K383-T386 PolarHBondContact O-N 3.22Å; K383-I387 HydrophobicContact CG-CD1 4.29Å; K383-I387 WeakPolarHBondContact O-CG1 3.44Å; K383-I387 PolarHBondContact O-N 3.32Å
384	Q	70.6	Confident	59.6	Low	16 Å²	16	59.8 Å²	59.8	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-44.2	176.6	-171.4	63.7	52.2	0	0	112.2	M122 N127 V128 D380 K381 T386 I387 N388	M122-Q384 PolarHBondContact O-NE2 3.13Å; M122-Q384 VanDerWaalsContact O-NE2 3.15Å; N127-Q384 HydrophobicContact CB-CB 4.26Å; N127-Q384 HydrophobicContact CB-CG 4.02Å; V128-Q384 HydrophobicContact CG2-CG 4.49Å; D380-Q384 WeakPolarHBondContact O-CB 3.17Å; D380-Q384 PolarHBondContact O-N 3.05Å; K381-Q384 PolarHBondContact O-N 3.44Å; Q384-T386 VanDerWaalsContact C-N 3.26Å; Q384-T386 PolarHBondContact O-N 3.19Å; Q384-I387 PolarHBondContact O-N 3.3Å; Q384-N388 PolarHBondContact NE2-OD1 3Å; Q384-N388 VanDerWaalsContact O-CG 3.22Å; Q384-N388 PolarHBondContact O-N 3.16Å; Q384-N388 PolarHBondContact O-OD1 3.35Å
385	Q	66.1	Low	60.5	Low	137 Å²	137	57.1 Å²	57.1	64%	0.64	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-40.2	175.2	-74.2	175.2	-33.5	0	0	111.5	K381 S382 N388 F389	K381-Q385 WeakPolarHBondContact O-CG 3.24Å; K381-Q385 PolarHBondContact O-N 3.48Å; S382-Q385 PolarHBondContact O-N 3.19Å; Q385-N388 PolarHBondContact O-N 3.48Å; Q385-F389 WeakPolarHBondContact O-CB 2.94Å; Q385-F389 PolarHBondContact O-N 2.86Å
386	T	68.2	Low	61.2	Low	13 Å²	13	51.2 Å²	51.2	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-43.5	176.5	-58.7	0	0	0	0	112.1	Q56 V57 L60 S382 K383 Q384 F389 L390	Q56-T386 HydrophobicContact CG-CG2 4.23Å; Q56-T386 WeakPolarHBondContact CG-OG1 3.31Å; V57-T386 HydrophobicContact CB-CG2 4.25Å; V57-T386 HydrophobicContact CG2-CG2 3.6Å; L60-T386 HydrophobicContact CD2-CG2 4Å; S382-T386 WeakPolarHBondContact O-CB 3.46Å; S382-T386 PolarHBondContact O-N 2.84Å; S382-T386 PolarHBondContact O-OG1 3.08Å; K383-T386 WeakPolarHBondContact O-CB 3.4Å; K383-T386 PolarHBondContact O-N 3.22Å; Q384-T386 VanDerWaalsContact C-N 3.26Å; Q384-T386 PolarHBondContact O-N 3.19Å; T386-F389 PolarHBondContact O-N 3.4Å; T386-L390 HydrophobicContact CG2-CD1 3.92Å; T386-L390 WeakPolarHBondContact O-CG 3.1Å; T386-L390 PolarHBondContact O-N 3.19Å
387	I	69.4	Low	62.1	Low	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-49.1	172.7	-69.9	164.2	0	0	0	109.9	L60 M122 T124 K383 Q384 F389 L390 L391	L60-I387 HydrophobicContact CD1-CD1 4.49Å; L60-I387 HydrophobicContact CD1-CG1 4.21Å; L60-I387 HydrophobicContact CD2-CG1 3.63Å; M122-I387 HydrophobicContact CB-CG2 4.13Å; M122-I387 HydrophobicContact CE-CD1 4.2Å; M122-I387 HydrophobicContact CG-CD1 4.4Å; M122-I387 HydrophobicContact CG-CG2 4.15Å; M122-I387 HydrophobicContact SD-CD1 4.49Å; M122-I387 HydrophobicContact SD-CG2 4.18Å; T124-I387 HydrophobicContact CG2-CD1 4.46Å; K383-I387 HydrophobicContact CG-CD1 4.29Å; K383-I387 WeakPolarHBondContact O-CG1 3.44Å; K383-I387 PolarHBondContact O-N 3.32Å; Q384-I387 PolarHBondContact O-N 3.3Å; I387-F389 VanDerWaalsContact C-N 3.32Å; I387-F389 PolarHBondContact O-N 2.9Å; I387-L390 PolarHBondContact O-N 2.95Å; I387-L391 HydrophobicContact CG2-CD1 3.59Å; I387-L391 HydrophobicContact CG2-CG 4.21Å; I387-L391 WeakPolarHBondContact O-CB 3.36Å; I387-L391 VanDerWaalsContact O-CG 3.24Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.3Å
388	N	64.9	Low	63	Low	59 Å²	59	55.1 Å²	55.1	32%	0.316	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-40.4	-180	-68.1	-5.4	0	0	0	111.9	Q384 Q385 R392	Q384-N388 PolarHBondContact NE2-OD1 3Å; Q384-N388 VanDerWaalsContact O-CG 3.22Å; Q384-N388 PolarHBondContact O-N 3.16Å; Q384-N388 PolarHBondContact O-OD1 3.35Å; Q385-N388 PolarHBondContact O-N 3.48Å; N388-R392 WeakPolarHBondContact O-CB 3.33Å; N388-R392 VanDerWaalsContact O-CG 3.28Å; N388-R392 WeakPolarHBondContact O-CG 3.16Å; N388-R392 PolarHBondContact O-N 2.89Å
389	F	64.4	Low	64.1	Low	131 Å²	131	50.2 Å²	50.2	58%	0.575	24%	0.242	S	C	*	.	H	α-helix	trans	-62.5	-51.1	177.3	179.3	-98.6	0	0	0	111.7	Q385 T386 I387 L391 R392 N393	Q385-F389 WeakPolarHBondContact O-CB 2.94Å; Q385-F389 PolarHBondContact O-N 2.86Å; T386-F389 PolarHBondContact O-N 3.4Å; I387-F389 VanDerWaalsContact C-N 3.32Å; I387-F389 PolarHBondContact O-N 2.9Å; F389-L391 VanDerWaalsContact C-N 3.31Å; F389-L391 PolarHBondContact O-N 3.26Å; F389-R392 PolarHBondContact O-N 2.91Å; F389-N393 PolarHBondContact O-N 3.27Å; F389-N393 VanDerWaalsContact O-N 3.14Å
390	L	65.2	Low	64.8	Low	8 Å²	8	48.1 Å²	48.1	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-36.7	179.9	-70.9	162	0	0	0	112.3	I14 V57 L60 W70 T386 I387	I14-L390 HydrophobicContact CD1-CD2 3.81Å; V57-L390 HydrophobicContact CG1-CD1 4.11Å; V57-L390 HydrophobicContact CG1-CD2 4.06Å; V57-L390 HydrophobicContact CG2-CD1 4.27Å; L60-L390 HydrophobicContact CD2-CD1 3.77Å; W70-L390 HydrophobicContact CH2-CB 3.8Å; W70-L390 HydrophobicContact CH2-CD1 3.4Å; W70-L390 HydrophobicContact CH2-CD2 4.17Å; W70-L390 HydrophobicContact CH2-CG 3.95Å; W70-L390 HydrophobicContact CZ2-CB 3.85Å; W70-L390 HydrophobicContact CZ2-CD1 3.82Å; W70-L390 HydrophobicContact CZ2-CG 4.37Å; T386-L390 HydrophobicContact CG2-CD1 3.92Å; T386-L390 WeakPolarHBondContact O-CG 3.1Å; T386-L390 PolarHBondContact O-N 3.19Å; I387-L390 PolarHBondContact O-N 2.95Å
391	L	62.4	Low	65	Low	16 Å²	16	48.8 Å²	48.8	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-74.8	-26.2	177.5	-71.3	178	0	0	0	113.5	G119 M122 I387 F389 R424	G119-L391 WeakPolarHBondContact O-CD1 3.4Å; M122-L391 HydrophobicContact CB-CD1 4.39Å; I387-L391 HydrophobicContact CG2-CD1 3.59Å; I387-L391 HydrophobicContact CG2-CG 4.21Å; I387-L391 WeakPolarHBondContact O-CB 3.36Å; I387-L391 VanDerWaalsContact O-CG 3.24Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.3Å; F389-L391 VanDerWaalsContact C-N 3.31Å; F389-L391 PolarHBondContact O-N 3.26Å; L391-R424 PolarHBondContact O-NH1 2.98Å
392	R	59.9	Low	65.2	Low	108 Å²	108	43.9 Å²	43.9	41%	0.408	22%	0.219	S	C	.	.	H	α-helix	trans	-87.8	-34.4	-178	-76.4	-177.8	-175.6	177.5	5.9	113.1	N388 F389 S394 D633	N388-R392 WeakPolarHBondContact O-CB 3.33Å; N388-R392 VanDerWaalsContact O-CG 3.28Å; N388-R392 WeakPolarHBondContact O-CG 3.16Å; N388-R392 PolarHBondContact O-N 2.89Å; F389-R392 PolarHBondContact O-N 2.91Å; R392-S394 VanDerWaalsContact C-N 3.28Å; R392-S394 WeakPolarHBondContact O-CB 3.41Å; R392-S394 PolarHBondContact O-N 2.79Å; R392-D633 IonicContact CZ-OD2 4Å; R392-D633 IonicContact NH1-OD2 2.7Å; R392-D633 PolarHBondContact NH1-OD2 2.99Å; R392-D633 IonicContact NH2-OD2 2.83Å; R392-D633 PolarHBondContact NH2-OD2 3.44Å
393	N	58.8	Low	65.8	Low	30 Å²	30	44 Å²	44	16%	0.16	21%	0.213	C	C	.	.			trans	22.2	61	-178.2	-163	43.6	0	0	0	115.3	E73 F389	E73-N393 HydrophobicContact CB-CB 3.74Å; E73-N393 PolarHBondContact O-ND2 2.86Å; F389-N393 PolarHBondContact O-N 3.27Å; F389-N393 VanDerWaalsContact O-N 3.14Å
394	S	55	Low	66.1	Low	31 Å²	31	43 Å²	43	22%	0.217	21%	0.209	C	C	.	.			trans	-128	134.1	-174.1	-168.2	0	0	0	0	110.8	R392 V396	R392-S394 VanDerWaalsContact C-N 3.28Å; R392-S394 WeakPolarHBondContact O-CB 3.41Å; R392-S394 PolarHBondContact O-N 2.79Å; S394-V396 PolarHBondContact O-N 3.44Å; S394-V396 VanDerWaalsContact OG-CB 3.25Å; S394-V396 WeakPolarHBondContact OG-CB 3.34Å; S394-V396 WeakPolarHBondContact OG-CG2 3.23Å; S394-V396 PolarHBondContact OG-N 3.39Å
395	E	57.6	Low	66.2	Low	47 Å²	47	44.2 Å²	44.2	22%	0.22	22%	0.216	C	C	.	.	S	Bend	trans	-75.1	-2.3	167.4	-63.8	-179.6	173.9	0	0	111.8	F9 H11 H77 R80 P435	F9-E395 WeakPolarHBondContact CE2-O 3.49Å; F9-E395 WeakPolarHBondContact CZ-O 3.39Å; H11-E395 IonicContact CD2-OE1 3.53Å; H11-E395 IonicContact CE1-OE1 2.67Å; H11-E395 IonicContact NE2-OE1 3.25Å; H11-E395 PolarHBondContact NE2-OE1 3.15Å; H77-E395 IonicContact CE1-OE1 3.41Å; H77-E395 PolarHBondContact CE1-OE1 3.37Å; H77-E395 IonicContact ND1-OE1 2.71Å; R80-E395 IonicContact NH1-OE2 3.5Å; E395-P435 HydrophobicContact CB-CG 4.39Å
396	V	60.3	Low	66.7	Low	9 Å²	9	37.9 Å²	37.9	6%	0.055	19%	0.187	C	C	.	.	S	Bend	trans	-86.3	131	-174.9	-175.1	0	0	0	0	108.8	S394 L400 P435 I438	S394-V396 PolarHBondContact O-N 3.44Å; S394-V396 VanDerWaalsContact OG-CB 3.25Å; S394-V396 WeakPolarHBondContact OG-CB 3.34Å; S394-V396 WeakPolarHBondContact OG-CG2 3.23Å; S394-V396 PolarHBondContact OG-N 3.39Å; V396-L400 HydrophobicContact CG1-CB 3.83Å; V396-P435 HydrophobicContact CG2-CB 4.22Å; V396-P435 HydrophobicContact CG2-CG 4.07Å; V396-I438 HydrophobicContact CB-CD1 4.27Å; V396-I438 HydrophobicContact CG1-CD1 3.92Å; V396-I438 HydrophobicContact CG1-CG2 4.39Å; V396-I438 HydrophobicContact CG2-CD1 3.54Å
397	R	66	Low	67.2	Low	91 Å²	91	37.7 Å²	37.7	34%	0.343	19%	0.185	S	C	.	.			trans	-53.2	137	173.9	-59.8	-169.5	-52.7	-170.7	-0	110.1	D399 L400 S401	R397-D399 WeakPolarHBondContact CB-OD1 3.29Å; R397-D399 IonicContact CZ-OD1 3.16Å; R397-D399 IonicContact CZ-OD2 3.38Å; R397-D399 IonicContact NE-OD1 3.48Å; R397-D399 PolarHBondContact NE-OD1 3.38Å; R397-D399 IonicContact NH2-OD2 3.09Å; R397-D399 PolarHBondContact NH2-OD2 3.1Å; R397-D399 PolarHBondContact O-N 2.8Å; R397-D399 VanDerWaalsContact O-N 3.11Å; R397-L400 HydrophobicContact CB-CD1 4.34Å; R397-L400 HydrophobicContact CB-CG 4.38Å; R397-L400 PolarHBondContact O-N 3.47Å; R397-S401 PolarHBondContact O-N 3.49Å
398	P	65.7	Low	67.2	Low	53 Å²	53	37.7 Å²	37.7	34%	0.344	19%	0.185	S	C	.	.	H	α-helix	trans	-53.6	-35.7	-175.9	-28.5	34.6	0	0	0	114.2	A402 D633	P398-A402 VanDerWaalsContact O-CB 3.23Å; P398-A402 WeakPolarHBondContact O-CB 3.37Å; P398-A402 PolarHBondContact O-N 2.92Å; P398-D633 HydrophobicContact CB-CB 3.87Å
399	D	68.6	Low	66.9	Low	31 Å²	31	36.3 Å²	36.3	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-44	178.2	70.7	-57.2	0	0	0	112.5	R397 A402 R403	R397-D399 WeakPolarHBondContact CB-OD1 3.29Å; R397-D399 IonicContact CZ-OD1 3.16Å; R397-D399 IonicContact CZ-OD2 3.38Å; R397-D399 IonicContact NE-OD1 3.48Å; R397-D399 PolarHBondContact NE-OD1 3.38Å; R397-D399 IonicContact NH2-OD2 3.09Å; R397-D399 PolarHBondContact NH2-OD2 3.1Å; R397-D399 PolarHBondContact O-N 2.8Å; R397-D399 VanDerWaalsContact O-N 3.11Å; D399-A402 PolarHBondContact O-N 3.23Å; D399-R403 WeakPolarHBondContact O-CB 3.36Å; D399-R403 WeakPolarHBondContact O-CG 3.4Å; D399-R403 PolarHBondContact O-N 3.08Å
400	L	72.3	Confident	66.4	Low	41 Å²	41	30.8 Å²	30.8	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-44.2	177.7	-67.9	177.9	0	0	0	110.9	V396 R397 A402 R403 A404 L442	V396-L400 HydrophobicContact CG1-CB 3.83Å; R397-L400 HydrophobicContact CB-CD1 4.34Å; R397-L400 HydrophobicContact CB-CG 4.38Å; R397-L400 PolarHBondContact O-N 3.47Å; L400-A402 VanDerWaalsContact C-N 3.35Å; L400-A402 PolarHBondContact O-N 2.89Å; L400-R403 PolarHBondContact O-N 3.44Å; L400-A404 WeakPolarHBondContact O-CB 3.47Å; L400-A404 PolarHBondContact O-N 2.9Å; L400-L442 HydrophobicContact CD2-CD1 3.91Å
401	S	68.7	Low	65.7	Low	22 Å²	22	33.2 Å²	33.2	15%	0.154	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-47.5	175.4	159.1	0	0	0	0	111.2	R397 A404 N405 P428	R397-S401 PolarHBondContact O-N 3.49Å; S401-A404 PolarHBondContact O-N 3.04Å; S401-N405 WeakPolarHBondContact O-CB 3.48Å; S401-N405 VanDerWaalsContact O-CG 3.31Å; S401-N405 PolarHBondContact O-N 3.24Å; S401-N405 PolarHBondContact O-ND2 3.35Å; S401-P428 WeakPolarHBondContact OG-CG 3.49Å
402	A	69.6	Low	64.9	Low	16 Å²	16	33.8 Å²	33.8	13%	0.132	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-42.1	178.8	0	0	0	0	0	112.3	P398 D399 L400 A404 N405 S406 M634	P398-A402 VanDerWaalsContact O-CB 3.23Å; P398-A402 WeakPolarHBondContact O-CB 3.37Å; P398-A402 PolarHBondContact O-N 2.92Å; D399-A402 PolarHBondContact O-N 3.23Å; L400-A402 VanDerWaalsContact C-N 3.35Å; L400-A402 PolarHBondContact O-N 2.89Å; A402-A404 VanDerWaalsContact C-N 3.33Å; A402-A404 PolarHBondContact O-N 3.43Å; A402-N405 WeakPolarHBondContact O-CB 3.26Å; A402-N405 PolarHBondContact O-N 3.09Å; A402-S406 PolarHBondContact O-N 2.89Å; A402-S406 PolarHBondContact O-OG 3.18Å; A402-M634 HydrophobicContact CB-CE 3.97Å; A402-M634 HydrophobicContact CB-CG 3.73Å; A402-M634 HydrophobicContact CB-SD 3.19Å; A402-M634 WeakPolarHBondContact CB-SD 3.21Å
403	R	78.3	Confident	63.8	Low	44 Å²	44	30.9 Å²	30.9	17%	0.166	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-41.5	174.9	-73.8	171.5	65	-159.9	-3	112.3	D399 L400 S406 I407 L442 M634	D399-R403 WeakPolarHBondContact O-CB 3.36Å; D399-R403 WeakPolarHBondContact O-CG 3.4Å; D399-R403 PolarHBondContact O-N 3.08Å; L400-R403 PolarHBondContact O-N 3.44Å; R403-S406 WeakPolarHBondContact O-CB 3.17Å; R403-S406 PolarHBondContact O-N 3.41Å; R403-I407 PolarHBondContact O-N 3.19Å; R403-L442 HydrophobicContact CB-CD1 4.42Å; R403-L442 HydrophobicContact CB-CD2 3.8Å; R403-M634 HydrophobicContact CG-CE 4.5Å
404	A	76.2	Confident	62.8	Low	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71	-35.8	179	0	0	0	0	0	112.2	L400 S401 A402 S406 I407 V408 I427 I438 L442	L400-A404 WeakPolarHBondContact O-CB 3.47Å; L400-A404 PolarHBondContact O-N 2.9Å; S401-A404 PolarHBondContact O-N 3.04Å; A402-A404 VanDerWaalsContact C-N 3.33Å; A402-A404 PolarHBondContact O-N 3.43Å; A404-S406 VanDerWaalsContact C-N 3.27Å; A404-S406 PolarHBondContact O-N 3.43Å; A404-I407 PolarHBondContact O-N 3.23Å; A404-V408 PolarHBondContact O-N 2.7Å; A404-V408 VanDerWaalsContact O-N 3.09Å; A404-I427 HydrophobicContact CB-CB 4.48Å; A404-I427 HydrophobicContact CB-CD1 4.45Å; A404-I427 HydrophobicContact CB-CG2 3.71Å; A404-I438 HydrophobicContact CB-CG2 3.57Å; A404-L442 HydrophobicContact CB-CD2 4.38Å; A404-L442 HydrophobicContact CB-CG 4.48Å
405	N	72.6	Confident	61.6	Low	40 Å²	40	33.8 Å²	33.8	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-27	169.3	-75.6	-30.8	0	0	0	113.4	S401 A402 P428 R568	S401-N405 WeakPolarHBondContact O-CB 3.48Å; S401-N405 VanDerWaalsContact O-CG 3.31Å; S401-N405 PolarHBondContact O-N 3.24Å; S401-N405 PolarHBondContact O-ND2 3.35Å; A402-N405 WeakPolarHBondContact O-CB 3.26Å; A402-N405 PolarHBondContact O-N 3.09Å; N405-P428 WeakPolarHBondContact OD1-CD 3.43Å; N405-R568 PolarHBondContact O-NH1 2.88Å
406	S	77.2	Confident	60.2	Low	5 Å²	5	34.8 Å²	34.8	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-47	170.7	-66.3	0	0	0	0	109.9	A402 R403 A404 R568 T594 S597	A402-S406 PolarHBondContact O-N 2.89Å; A402-S406 PolarHBondContact O-OG 3.18Å; R403-S406 WeakPolarHBondContact O-CB 3.17Å; R403-S406 PolarHBondContact O-N 3.41Å; A404-S406 VanDerWaalsContact C-N 3.27Å; A404-S406 PolarHBondContact O-N 3.43Å; S406-R568 PolarHBondContact O-NH2 3.39Å; S406-T594 PolarHBondContact OG-OG1 2.83Å; S406-T594 VanDerWaalsContact OG-OG1 3.13Å; S406-S597 VanDerWaalsContact O-CA 3.3Å; S406-S597 WeakPolarHBondContact O-CA 3.06Å
407	I	77.8	Confident	58.5	Low	8 Å²	8	42 Å²	42	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-55.7	-179.1	-64.5	-177	0	0	0	112.4	R403 A404 P409 L442 R445 Y448 L449 S597	R403-I407 PolarHBondContact O-N 3.19Å; A404-I407 PolarHBondContact O-N 3.23Å; I407-P409 VanDerWaalsContact O-CD 3.23Å; I407-P409 WeakPolarHBondContact O-CD 3.42Å; I407-L442 HydrophobicContact CD1-CD2 3.71Å; I407-R445 HydrophobicContact CD1-CB 3.84Å; I407-Y448 HydrophobicContact CG2-CE2 3.75Å; I407-L449 HydrophobicContact CD1-CD1 4.42Å; I407-L449 HydrophobicContact CG1-CD1 4.38Å; I407-L449 HydrophobicContact CG2-CD1 4.43Å; I407-L449 HydrophobicContact CG2-CD2 4.07Å; I407-S597 PolarHBondContact O-OG 3.34Å
408	V	69.2	Low	56.7	Low	1 Å²	1	44.4 Å²	44.4	1%	0.006	27%	0.266	C	S	.	.	S	Bend	trans	-109.3	96.6	-174.1	-172.3	0	0	0	0	108.9	A404 C410 I427 M769 F774 F876 L880	A404-V408 PolarHBondContact O-N 2.7Å; A404-V408 VanDerWaalsContact O-N 3.09Å; V408-C410 PolarHBondContact O-N 3.23Å; V408-I427 HydrophobicContact CB-CD1 3.4Å; V408-I427 HydrophobicContact CB-CG1 3.97Å; V408-I427 HydrophobicContact CG1-CD1 4.24Å; V408-I427 HydrophobicContact CG1-CG1 4.42Å; V408-I427 HydrophobicContact CG2-CD1 3.28Å; V408-I427 HydrophobicContact CG2-CG1 4.29Å; V408-M769 HydrophobicContact CB-SD 3.99Å; V408-M769 HydrophobicContact CG1-CE 4.04Å; V408-M769 HydrophobicContact CG1-SD 3.84Å; V408-M769 HydrophobicContact CG2-SD 3.55Å; V408-M769 VanDerWaalsContact CG2-SD 3.55Å; V408-F774 HydrophobicContact CG1-CE1 4.19Å; V408-F774 HydrophobicContact CG1-CZ 4.5Å; V408-F774 HydrophobicContact CG2-CD2 4.5Å; V408-F774 HydrophobicContact CG2-CE1 4.07Å; V408-F774 HydrophobicContact CG2-CE2 3.89Å; V408-F774 HydrophobicContact CG2-CZ 3.65Å; V408-F876 HydrophobicContact CG1-CZ 3.95Å; V408-L880 HydrophobicContact CG1-CD1 4.2Å; V408-L880 HydrophobicContact CG1-CD2 3.64Å
409	P	59.4	Low	54.9	Low	30 Å²	30	48.8 Å²	48.8	20%	0.195	29%	0.285	C	S	.	.			trans	-58.5	116.7	175.1	20.3	-29.9	0	0	0	109.6	I407 R411	I407-P409 VanDerWaalsContact O-CD 3.23Å; I407-P409 WeakPolarHBondContact O-CD 3.42Å; P409-R411 PolarHBondContact O-N 3.19Å
410	C	53.7	Low	52.9	Low	16 Å²	16	53.5 Å²	53.5	11%	0.108	32%	0.315	C	S	.	.			trans	-69.2	93	167.4	-179.9	0	0	0	0	109.2	F134 V408 L425 S426	F134-C410 WeakPolarHBondContact CD1-O 3.4Å; F134-C410 WeakPolarHBondContact CE1-O 3.4Å; V408-C410 PolarHBondContact O-N 3.23Å; C410-L425 WeakPolarHBondContact CB-O 3.33Å; C410-L425 PolarHBondContact SG-O 2.98Å; C410-S426 PolarHBondContact SG-N 2.73Å
411	R	50.7	Low	51.2	Low	59 Å²	59	53.9 Å²	53.9	22%	0.223	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-84.3	124	161	-71.7	-173.3	173.8	165.3	1.5	106.8	P409 V882 E886	P409-R411 PolarHBondContact O-N 3.19Å; R411-V882 HydrophobicContact CB-CB 4.29Å; R411-V882 HydrophobicContact CB-CG2 4.27Å; R411-V882 PolarHBondContact NH1-O 3.44Å; R411-E886 IonicContact CZ-OE1 2.9Å; R411-E886 IonicContact NH1-OE1 3.59Å; R411-E886 PolarHBondContact NH1-OE1 2.88Å; R411-E886 VanDerWaalsContact NH1-OE1 3.1Å; R411-E886 IonicContact NH2-OE1 3.19Å; R411-E886 PolarHBondContact NH2-OE1 3.07Å; R411-E886 VanDerWaalsContact NH2-OE1 3.16Å
412	Q	45.7	Very low	49.8	Very low	28 Å²	28	56.3 Å²	56.3	13%	0.131	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-63.5	139.4	176.2	-79.1	-163.5	-5.2	0	0	110.1	D120 H136 N414	D120-Q412 PolarHBondContact OD1-NE2 3.28Å; H136-Q412 PolarHBondContact CE1-OE1 3.21Å; H136-Q412 WeakPolarHBondContact NE2-CG 3.27Å; H136-Q412 PolarHBondContact NE2-NE2 2.98Å; H136-Q412 PolarHBondContact NE2-OE1 3.09Å; Q412-N414 PolarHBondContact O-N 3.21Å
413	L	35.4	Very low	48.8	Very low	47 Å²	47	59 Å²	59	25%	0.246	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-52.2	131.3	176.2	-87.9	159.4	0	0	0	112	G415 R423 L425	L413-G415 PolarHBondContact O-N 3.24Å; L413-R423 HydrophobicContact CD1-CB 3.9Å; L413-R423 HydrophobicContact CD1-CG 4.25Å; L413-L425 HydrophobicContact CD1-CD1 3.3Å; L413-L425 HydrophobicContact CD1-CG 4.22Å; L413-L425 HydrophobicContact CG-CD1 3.71Å
414	N	39	Very low	47.5	Very low	69 Å²	69	60 Å²	60	37%	0.369	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-63	129.7	154	-79.2	-23.7	0	0	0	108.4	Q412 G416	Q412-N414 PolarHBondContact O-N 3.21Å; N414-G416 PolarHBondContact O-N 3.05Å; N414-G416 VanDerWaalsContact O-N 3.07Å
415	G	30.3	Very low	46.2	Very low	53 Å²	53	60.5 Å²	60.5	55%	0.546	35%	0.346	S	S	.	.			trans	-57.8	109.4	-179.5	0	0	0	0	0	112.1	L413	L413-G415 PolarHBondContact O-N 3.24Å
416	G	26.9	Very low	45.3	Very low	67 Å²	67	59.9 Å²	59.9	69%	0.691	35%	0.345	S	S	*	.			trans	-127.2	109.3	168.1	0	0	0	0	0	109.6	N414	N414-G416 PolarHBondContact O-N 3.05Å; N414-G416 VanDerWaalsContact O-N 3.07Å
417	L	25.7	Very low	44.2	Very low	160 Å²	160	59.7 Å²	59.7	84%	0.838	34%	0.343	S	S	*	.	S	Bend	trans	56.6	111.7	169.5	-100.8	72.5	0	0	0	119.2
418	N	26.6	Very low	42.9	Very low	143 Å²	143	59.8 Å²	59.8	77%	0.765	34%	0.344	S	S	*	.	S	Bend	trans	60.4	77.2	151.1	-59.6	-23.3	0	0	0	117.1
419	I	28.1	Very low	42.2	Very low	145 Å²	145	61.4 Å²	61.4	74%	0.744	35%	0.351	S	S	*	.				174.9	133.9	129.7	-85.5	150.4	0	0	0	107.1	T421	I419-T421 HydrophobicContact CG2-CG2 3.81Å; I419-T421 WeakPolarHBondContact CG2-OG1 3.27Å; I419-T421 PolarHBondContact O-N 2.97Å
420	V	27.3	Very low	42.1	Very low	130 Å²	130	61.3 Å²	61.3	79%	0.788	35%	0.351	S	S	*	.	S	Bend	trans	-69	56.7	177.8	-175.4	0	0	0	0	111.2
421	T	37.5	Very low	42.4	Very low	49 Å²	49	60.9 Å²	60.9	30%	0.301	35%	0.347	S	S	.	.			trans	-135.8	110	171.3	58	0	0	0	0	108.9	I419 R423	I419-T421 HydrophobicContact CG2-CG2 3.81Å; I419-T421 WeakPolarHBondContact CG2-OG1 3.27Å; I419-T421 PolarHBondContact O-N 2.97Å; T421-R423 PolarHBondContact O-N 3.39Å
422	T	38.5	Very low	42.5	Very low	73 Å²	73	58.2 Å²	58.2	45%	0.448	34%	0.338	S	S	.	.			trans	-52.6	99.6	162.9	34.9	0	0	0	0	108.4	R424	T422-R424 PolarHBondContact O-N 3.47Å
423	R	49.1	Very low	42.8	Very low	73 Å²	73	57.4 Å²	57.4	28%	0.275	34%	0.336	S	S	.	.			trans	-66.9	100.9	174.5	-77.9	-178	174.1	-166.3	-1.6	107.3	L413 T421 L425 D875	L413-R423 HydrophobicContact CD1-CB 3.9Å; L413-R423 HydrophobicContact CD1-CG 4.25Å; T421-R423 PolarHBondContact O-N 3.39Å; R423-L425 HydrophobicContact CB-CD2 4.45Å; R423-L425 HydrophobicContact CB-CG 4.11Å; R423-L425 PolarHBondContact O-N 2.89Å; R423-D875 IonicContact CZ-OD1 2.87Å; R423-D875 IonicContact CZ-OD2 2.96Å; R423-D875 PolarHBondContact NH1-O 3.01Å; R423-D875 IonicContact NH1-OD1 3.78Å; R423-D875 PolarHBondContact NH1-OD1 3.04Å; R423-D875 IonicContact NH1-OD2 3.6Å; R423-D875 IonicContact NH2-OD1 3.03Å; R423-D875 PolarHBondContact NH2-OD1 3.26Å; R423-D875 IonicContact NH2-OD2 3.48Å; R423-D875 PolarHBondContact NH2-OD2 3.36Å
424	R	49.7	Very low	44	Very low	64 Å²	64	56.4 Å²	56.4	24%	0.242	33%	0.329	C	S	.	.			trans	-58.8	123.8	152.2	-102.6	-179.9	174.9	-175.8	-2.3	105.8	L391 T422 F429	L391-R424 PolarHBondContact O-NH1 2.98Å; T422-R424 PolarHBondContact O-N 3.47Å; R424-F429 HydrophobicContact CB-CD1 4.36Å; R424-F429 HydrophobicContact CB-CD2 3.49Å; R424-F429 VanDerWaalsContact CB-CD2 3.49Å; R424-F429 HydrophobicContact CB-CE1 4.39Å; R424-F429 HydrophobicContact CB-CE2 3.41Å; R424-F429 VanDerWaalsContact CB-CE2 3.41Å; R424-F429 HydrophobicContact CB-CG 3.96Å; R424-F429 HydrophobicContact CB-CZ 3.95Å; R424-F429 HydrophobicContact CG-CD2 4.43Å; R424-F429 HydrophobicContact CG-CE2 4.46Å; R424-F429 WeakPolarHBondContact O-CD1 3.32Å; R424-F429 WeakPolarHBondContact O-CE1 3.18Å; R424-F429 WeakPolarHBondContact O-CZ 3.34Å
425	L	50.2	Low	45.2	Very low	11 Å²	11	55.6 Å²	55.6	6%	0.058	33%	0.328	C	S	.	.			trans	-124.1	49.4	175.2	-75.2	-179.3	0	0	0	109.1	C410 L413 R423 C430 F876	C410-L425 WeakPolarHBondContact CB-O 3.33Å; C410-L425 PolarHBondContact SG-O 2.98Å; L413-L425 HydrophobicContact CD1-CD1 3.3Å; L413-L425 HydrophobicContact CD1-CG 4.22Å; L413-L425 HydrophobicContact CG-CD1 3.71Å; R423-L425 HydrophobicContact CB-CD2 4.45Å; R423-L425 HydrophobicContact CB-CG 4.11Å; R423-L425 PolarHBondContact O-N 2.89Å; L425-C430 WeakPolarHBondContact CD2-SG 3.5Å; L425-F876 HydrophobicContact CB-CD2 4.04Å; L425-F876 HydrophobicContact CD2-CB 4.33Å; L425-F876 HydrophobicContact CD2-CD2 4.31Å; L425-F876 WeakPolarHBondContact O-CE2 3.19Å
426	S	52.3	Low	46.9	Very low	27 Å²	27	55 Å²	55	19%	0.189	32%	0.318	C	S	.	.			trans	-78.5	149.2	170.8	55.6	0	0	0	0	109	C410 P428 F429 C430	C410-S426 PolarHBondContact SG-N 2.73Å; S426-P428 VanDerWaalsContact C-N 3.31Å; S426-F429 WeakPolarHBondContact O-CA 3.48Å; S426-F429 VanDerWaalsContact O-CB 3.24Å; S426-F429 WeakPolarHBondContact O-CB 3.23Å; S426-F429 PolarHBondContact O-N 3.43Å; S426-F429 WeakPolarHBondContact OG-CB 3.37Å; S426-C430 PolarHBondContact O-N 3.34Å
427	I	55.4	Low	49.1	Very low	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-50.6	-50.2	175.1	-83.4	-174.7	0	0	0	111.3	A404 V408 F429 C430 F431 I438 I441 F876	A404-I427 HydrophobicContact CB-CB 4.48Å; A404-I427 HydrophobicContact CB-CD1 4.45Å; A404-I427 HydrophobicContact CB-CG2 3.71Å; V408-I427 HydrophobicContact CB-CD1 3.4Å; V408-I427 HydrophobicContact CB-CG1 3.97Å; V408-I427 HydrophobicContact CG1-CD1 4.24Å; V408-I427 HydrophobicContact CG1-CG1 4.42Å; V408-I427 HydrophobicContact CG2-CD1 3.28Å; V408-I427 HydrophobicContact CG2-CG1 4.29Å; I427-F429 PolarHBondContact O-N 3.37Å; I427-C430 PolarHBondContact O-N 3.4Å; I427-F431 HydrophobicContact CB-CD2 4.25Å; I427-F431 HydrophobicContact CG1-CD2 4.2Å; I427-F431 HydrophobicContact CG1-CE2 4.29Å; I427-F431 HydrophobicContact CG2-CD2 3.98Å; I427-F431 WeakPolarHBondContact O-CA 3.03Å; I427-F431 WeakPolarHBondContact O-CB 3.23Å; I427-F431 WeakPolarHBondContact O-CD2 3.22Å; I427-F431 PolarHBondContact O-N 2.99Å; I427-I438 HydrophobicContact CG2-CD1 4.04Å; I427-I438 HydrophobicContact CG2-CG1 3.75Å; I427-I441 HydrophobicContact CD1-CD1 3.75Å; I427-I441 HydrophobicContact CD1-CG2 4.05Å; I427-I441 HydrophobicContact CG1-CD1 4.42Å; I427-I441 HydrophobicContact CG2-CD1 4.48Å; I427-F876 HydrophobicContact CG1-CE2 4.37Å; I427-F876 HydrophobicContact CG1-CZ 3.79Å
428	P	50.9	Low	51.4	Low	9 Å²	9	44.2 Å²	44.2	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-10.3	178.1	-21.6	33.3	0	0	0	114.2	S401 N405 S426 A432 I438	S401-P428 WeakPolarHBondContact OG-CG 3.49Å; N405-P428 WeakPolarHBondContact OD1-CD 3.43Å; S426-P428 VanDerWaalsContact C-N 3.31Å; P428-A432 WeakPolarHBondContact O-CA 3.4Å; P428-A432 WeakPolarHBondContact O-CB 3.31Å; P428-A432 PolarHBondContact O-N 3.33Å; P428-A432 VanDerWaalsContact O-N 3.12Å; P428-I438 HydrophobicContact CB-CD1 4.42Å
429	F	54.5	Low	53.7	Low	35 Å²	35	39 Å²	39	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-90.7	-55.5	175.3	175.4	-77.8	0	0	0	109.9	E73 R424 S426 I427 F431 A432	E73-F429 WeakPolarHBondContact OE1-CE2 2.97Å; E73-F429 WeakPolarHBondContact OE1-CZ 3.13Å; E73-F429 WeakPolarHBondContact OE2-CD2 3.41Å; E73-F429 WeakPolarHBondContact OE2-CE2 3.24Å; R424-F429 HydrophobicContact CB-CD1 4.36Å; R424-F429 HydrophobicContact CB-CD2 3.49Å; R424-F429 VanDerWaalsContact CB-CD2 3.49Å; R424-F429 HydrophobicContact CB-CE1 4.39Å; R424-F429 HydrophobicContact CB-CE2 3.41Å; R424-F429 VanDerWaalsContact CB-CE2 3.41Å; R424-F429 HydrophobicContact CB-CG 3.96Å; R424-F429 HydrophobicContact CB-CZ 3.95Å; R424-F429 HydrophobicContact CG-CD2 4.43Å; R424-F429 HydrophobicContact CG-CE2 4.46Å; R424-F429 WeakPolarHBondContact O-CD1 3.32Å; R424-F429 WeakPolarHBondContact O-CE1 3.18Å; R424-F429 WeakPolarHBondContact O-CZ 3.34Å; S426-F429 WeakPolarHBondContact O-CA 3.48Å; S426-F429 VanDerWaalsContact O-CB 3.24Å; S426-F429 WeakPolarHBondContact O-CB 3.23Å; S426-F429 PolarHBondContact O-N 3.43Å; S426-F429 WeakPolarHBondContact OG-CB 3.37Å; I427-F429 PolarHBondContact O-N 3.37Å; F429-F431 PolarHBondContact O-N 3.09Å; F429-A432 WeakPolarHBondContact O-CB 3.29Å; F429-A432 PolarHBondContact O-N 2.61Å
430	C	55.8	Low	56.2	Low	29 Å²	29	33.6 Å²	33.6	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-32.4	178.5	-63.5	0	0	0	0	111.7	L425 S426 I427 F876	L425-C430 WeakPolarHBondContact CD2-SG 3.5Å; S426-C430 PolarHBondContact O-N 3.34Å; I427-C430 PolarHBondContact O-N 3.4Å; C430-F876 HydrophobicContact CB-CB 4.34Å; C430-F876 HydrophobicContact CB-CD2 3.98Å; C430-F876 HydrophobicContact CB-CG 4.24Å; C430-F876 WeakPolarHBondContact SG-CD2 3.44Å
431	F	61.2	Low	58.8	Low	6 Å²	6	27.4 Å²	27.4	3%	0.026	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	19.5	-176.8	-51.1	-55.8	0	0	0	111.9	I427 F429 A433 Y434 I437 I438 I441 L778 F876	I427-F431 HydrophobicContact CB-CD2 4.25Å; I427-F431 HydrophobicContact CG1-CD2 4.2Å; I427-F431 HydrophobicContact CG1-CE2 4.29Å; I427-F431 HydrophobicContact CG2-CD2 3.98Å; I427-F431 WeakPolarHBondContact O-CA 3.03Å; I427-F431 WeakPolarHBondContact O-CB 3.23Å; I427-F431 WeakPolarHBondContact O-CD2 3.22Å; I427-F431 PolarHBondContact O-N 2.99Å; F429-F431 PolarHBondContact O-N 3.09Å; F431-A433 PolarHBondContact O-N 2.75Å; F431-Y434 HydrophobicContact CB-CD2 4.38Å; F431-Y434 HydrophobicContact CD1-CD2 4.29Å; F431-Y434 HydrophobicContact CD1-CG 4.47Å; F431-Y434 CarbonylContact O-C 3.58Å; F431-Y434 VanDerWaalsContact O-C 3.26Å; F431-Y434 WeakPolarHBondContact O-CA 3.48Å; F431-Y434 PolarHBondContact O-N 3.14Å; F431-I437 HydrophobicContact CB-CB 4.12Å; F431-I437 HydrophobicContact CB-CG2 4.11Å; F431-I437 HydrophobicContact CD1-CB 4.13Å; F431-I437 HydrophobicContact CD1-CD1 3.24Å; F431-I437 HydrophobicContact CD1-CG1 4.19Å; F431-I437 HydrophobicContact CD1-CG2 3.76Å; F431-I437 HydrophobicContact CD2-CG2 3.78Å; F431-I437 HydrophobicContact CE1-CD1 3.54Å; F431-I437 HydrophobicContact CE1-CG2 4.05Å; F431-I437 HydrophobicContact CE2-CG2 4.09Å; F431-I437 HydrophobicContact CG-CB 4.05Å; F431-I437 HydrophobicContact CG-CD1 4.07Å; F431-I437 HydrophobicContact CG-CG2 3.58Å; F431-I437 HydrophobicContact CZ-CG2 4.2Å; F431-I438 HydrophobicContact CB-CD1 4.42Å; F431-I438 HydrophobicContact CB-CG1 4.01Å; F431-I441 HydrophobicContact CD2-CD1 4.25Å; F431-I441 HydrophobicContact CE2-CD1 4.13Å; F431-L778 HydrophobicContact CE2-CD1 4.32Å; F431-L778 HydrophobicContact CZ-CD1 3.97Å; F431-L778 HydrophobicContact CZ-CD2 4.09Å; F431-F876 HydrophobicContact CE2-CD1 4.06Å; F431-F876 AromaticContact CE2-CE1 3.84Å; F431-F876 HydrophobicContact CE2-CE1 3.84Å; F431-F876 HydrophobicContact CE2-CZ 4.18Å; F431-F876 HydrophobicContact CZ-CD1 4Å; F431-F876 HydrophobicContact CZ-CE1 4.2Å
432	A	52.7	Low	60.9	Low	3 Å²	3	25.6 Å²	25.6	3%	0.025	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.6	175.3	0	0	0	0	0	111.7	P428 F429 Y434	P428-A432 WeakPolarHBondContact O-CA 3.4Å; P428-A432 WeakPolarHBondContact O-CB 3.31Å; P428-A432 PolarHBondContact O-N 3.33Å; P428-A432 VanDerWaalsContact O-N 3.12Å; F429-A432 WeakPolarHBondContact O-CB 3.29Å; F429-A432 PolarHBondContact O-N 2.61Å; A432-Y434 PolarHBondContact O-N 3.13Å
433	A	50.7	Low	63	Low	12 Å²	12	28.5 Å²	28.5	10%	0.099	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.6	176.7	0	0	0	0	0	113.7	R80 F431	R80-A433 HydrophobicContact CB-CB 4.36Å; F431-A433 PolarHBondContact O-N 2.75Å
434	Y	61.8	Low	64.7	Low	26 Å²	26	28.3 Å²	28.3	10%	0.102	16%	0.161	C	C	.	.			trans	-134.7	64	-170.2	-50.1	-118.4	0	0	0	112.8	F431 A432 A436 I437 I438 M785 L788	F431-Y434 HydrophobicContact CB-CD2 4.38Å; F431-Y434 HydrophobicContact CD1-CD2 4.29Å; F431-Y434 HydrophobicContact CD1-CG 4.47Å; F431-Y434 CarbonylContact O-C 3.58Å; F431-Y434 VanDerWaalsContact O-C 3.26Å; F431-Y434 WeakPolarHBondContact O-CA 3.48Å; F431-Y434 PolarHBondContact O-N 3.14Å; A432-Y434 PolarHBondContact O-N 3.13Å; Y434-A436 PolarHBondContact O-N 3.47Å; Y434-I437 HydrophobicContact CD1-CD1 3.22Å; Y434-I437 HydrophobicContact CD1-CG1 3.88Å; Y434-I437 HydrophobicContact CD2-CD1 4.4Å; Y434-I437 HydrophobicContact CE1-CD1 3.66Å; Y434-I437 HydrophobicContact CG-CD1 3.61Å; Y434-I437 HydrophobicContact CG-CG1 4.14Å; Y434-I437 PolarHBondContact O-N 2.84Å; Y434-I438 PolarHBondContact O-N 3.17Å; Y434-M785 HydrophobicContact CD1-SD 4.22Å; Y434-L788 HydrophobicContact CD1-CD2 3.72Å; Y434-L788 HydrophobicContact CE1-CD1 4.22Å; Y434-L788 HydrophobicContact CE1-CD2 2.93Å; Y434-L788 HydrophobicContact CE1-CG 4.13Å; Y434-L788 HydrophobicContact CE2-CD2 4.48Å; Y434-L788 WeakPolarHBondContact OH-CD1 3.19Å; Y434-L788 WeakPolarHBondContact OH-CD2 3.19Å
435	P	63.5	Low	66.4	Low	51 Å²	51	28.1 Å²	28.1	33%	0.331	16%	0.16	S	C	.	.	H	α-helix	trans	-51.2	-31.3	173.4	-26	33.9	0	0	0	113.3	E395 V396 I438 A439	E395-P435 HydrophobicContact CB-CG 4.39Å; V396-P435 HydrophobicContact CG2-CB 4.22Å; V396-P435 HydrophobicContact CG2-CG 4.07Å; P435-I438 PolarHBondContact O-N 3.38Å; P435-A439 PolarHBondContact O-N 3.06Å
436	A	67	Low	68.1	Low	41 Å²	41	32.8 Å²	32.8	34%	0.339	18%	0.181	S	C	.	.	H	α-helix	trans	-65.9	-35.7	174.5	0	0	0	0	0	113.8	Y434 I438 A439 S440 M785	Y434-A436 PolarHBondContact O-N 3.47Å; A436-I438 VanDerWaalsContact C-N 3.3Å; A436-I438 PolarHBondContact O-N 3.24Å; A436-A439 PolarHBondContact O-N 3.49Å; A436-S440 WeakPolarHBondContact O-CB 3.45Å; A436-S440 PolarHBondContact O-N 3.1Å; A436-S440 PolarHBondContact O-OG 3.43Å; A436-S440 VanDerWaalsContact O-OG 3.06Å; A436-M785 HydrophobicContact CB-CE 3.41Å; A436-M785 VanDerWaalsContact CB-CE 3.41Å
437	I	72.2	Confident	69.9	Low	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-45.4	172.9	-72.6	179.6	0	0	0	109.1	F431 Y434 A439 S440 I441 L778 V782 M785	F431-I437 HydrophobicContact CB-CB 4.12Å; F431-I437 HydrophobicContact CB-CG2 4.11Å; F431-I437 HydrophobicContact CD1-CB 4.13Å; F431-I437 HydrophobicContact CD1-CD1 3.24Å; F431-I437 HydrophobicContact CD1-CG1 4.19Å; F431-I437 HydrophobicContact CD1-CG2 3.76Å; F431-I437 HydrophobicContact CD2-CG2 3.78Å; F431-I437 HydrophobicContact CE1-CD1 3.54Å; F431-I437 HydrophobicContact CE1-CG2 4.05Å; F431-I437 HydrophobicContact CE2-CG2 4.09Å; F431-I437 HydrophobicContact CG-CB 4.05Å; F431-I437 HydrophobicContact CG-CD1 4.07Å; F431-I437 HydrophobicContact CG-CG2 3.58Å; F431-I437 HydrophobicContact CZ-CG2 4.2Å; Y434-I437 HydrophobicContact CD1-CD1 3.22Å; Y434-I437 HydrophobicContact CD1-CG1 3.88Å; Y434-I437 HydrophobicContact CD2-CD1 4.4Å; Y434-I437 HydrophobicContact CE1-CD1 3.66Å; Y434-I437 HydrophobicContact CG-CD1 3.61Å; Y434-I437 HydrophobicContact CG-CG1 4.14Å; Y434-I437 PolarHBondContact O-N 2.84Å; I437-A439 VanDerWaalsContact C-N 3.31Å; I437-A439 PolarHBondContact O-N 2.84Å; I437-S440 CarbonylContact O-C 3.52Å; I437-S440 PolarHBondContact O-N 3.27Å; I437-I441 HydrophobicContact CG2-CD1 3.49Å; I437-I441 VanDerWaalsContact CG2-CD1 3.49Å; I437-I441 HydrophobicContact CG2-CG1 3.93Å; I437-I441 WeakPolarHBondContact O-CB 3.49Å; I437-I441 VanDerWaalsContact O-CG1 3.26Å; I437-I441 WeakPolarHBondContact O-CG1 3.37Å; I437-I441 PolarHBondContact O-N 3.49Å; I437-L778 HydrophobicContact CG2-CD1 4.32Å; I437-V782 HydrophobicContact CD1-CG2 4.04Å; I437-M785 HydrophobicContact CB-CE 4.2Å; I437-M785 HydrophobicContact CB-SD 4.3Å; I437-M785 HydrophobicContact CD1-CE 4.36Å; I437-M785 HydrophobicContact CD1-SD 3.5Å; I437-M785 VanDerWaalsContact CD1-SD 3.5Å; I437-M785 HydrophobicContact CG1-CE 3.36Å; I437-M785 HydrophobicContact CG1-SD 2.99Å; I437-M785 WeakPolarHBondContact CG1-SD 3.38Å
438	I	73.8	Confident	71.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-44.3	-178.1	-60.5	-174.2	0	0	0	110.1	V396 A404 I427 P428 F431 Y434 P435 A436 I441 L442	V396-I438 HydrophobicContact CB-CD1 4.27Å; V396-I438 HydrophobicContact CG1-CD1 3.92Å; V396-I438 HydrophobicContact CG1-CG2 4.39Å; V396-I438 HydrophobicContact CG2-CD1 3.54Å; A404-I438 HydrophobicContact CB-CG2 3.57Å; I427-I438 HydrophobicContact CG2-CD1 4.04Å; I427-I438 HydrophobicContact CG2-CG1 3.75Å; P428-I438 HydrophobicContact CB-CD1 4.42Å; F431-I438 HydrophobicContact CB-CD1 4.42Å; F431-I438 HydrophobicContact CB-CG1 4.01Å; Y434-I438 PolarHBondContact O-N 3.17Å; P435-I438 PolarHBondContact O-N 3.38Å; A436-I438 VanDerWaalsContact C-N 3.3Å; A436-I438 PolarHBondContact O-N 3.24Å; I438-I441 PolarHBondContact O-N 2.9Å; I438-L442 HydrophobicContact CG2-CD1 4.25Å; I438-L442 VanDerWaalsContact O-CG 3.25Å; I438-L442 WeakPolarHBondContact O-CG 3.36Å; I438-L442 PolarHBondContact O-N 3.35Å
439	A	75.4	Confident	73.2	Confident	34 Å²	34	35.8 Å²	35.8	28%	0.281	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-49.7	172.8	0	0	0	0	0	111.5	P435 A436 I437 I441 L442 E443	P435-A439 PolarHBondContact O-N 3.06Å; A436-A439 PolarHBondContact O-N 3.49Å; I437-A439 VanDerWaalsContact C-N 3.31Å; I437-A439 PolarHBondContact O-N 2.84Å; A439-I441 PolarHBondContact O-N 2.65Å; A439-L442 CarbonylContact O-C 3.59Å; A439-L442 WeakPolarHBondContact O-CA 3.3Å; A439-L442 WeakPolarHBondContact O-CB 3.31Å; A439-L442 PolarHBondContact O-N 3.44Å; A439-E443 VanDerWaalsContact O-CG 3.32Å; A439-E443 WeakPolarHBondContact O-CG 3.49Å; A439-E443 PolarHBondContact O-N 3.13Å
440	S	80.6	Confident	74.7	Confident	31 Å²	31	35.8 Å²	35.8	22%	0.217	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-33.9	179.8	-60.2	0	0	0	0	113.7	A436 I437 L442 E443 N444	A436-S440 WeakPolarHBondContact O-CB 3.45Å; A436-S440 PolarHBondContact O-N 3.1Å; A436-S440 PolarHBondContact O-OG 3.43Å; A436-S440 VanDerWaalsContact O-OG 3.06Å; I437-S440 CarbonylContact O-C 3.52Å; I437-S440 PolarHBondContact O-N 3.27Å; S440-L442 VanDerWaalsContact C-N 3.33Å; S440-E443 PolarHBondContact O-N 3.02Å; S440-N444 VanDerWaalsContact O-CB 3.32Å; S440-N444 WeakPolarHBondContact O-CB 3.47Å; S440-N444 PolarHBondContact O-N 3.29Å; S440-N444 PolarHBondContact O-ND2 3.29Å
441	I	81	Confident	76.3	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-42.3	170.2	-73.5	175.9	0	0	0	109.5	I427 F431 I437 I438 A439 R445 Y448 F774 L778 I781	I427-I441 HydrophobicContact CD1-CD1 3.75Å; I427-I441 HydrophobicContact CD1-CG2 4.05Å; I427-I441 HydrophobicContact CG1-CD1 4.42Å; I427-I441 HydrophobicContact CG2-CD1 4.48Å; F431-I441 HydrophobicContact CD2-CD1 4.25Å; F431-I441 HydrophobicContact CE2-CD1 4.13Å; I437-I441 HydrophobicContact CG2-CD1 3.49Å; I437-I441 VanDerWaalsContact CG2-CD1 3.49Å; I437-I441 HydrophobicContact CG2-CG1 3.93Å; I437-I441 WeakPolarHBondContact O-CB 3.49Å; I437-I441 VanDerWaalsContact O-CG1 3.26Å; I437-I441 WeakPolarHBondContact O-CG1 3.37Å; I437-I441 PolarHBondContact O-N 3.49Å; I438-I441 PolarHBondContact O-N 2.9Å; A439-I441 PolarHBondContact O-N 2.65Å; I441-R445 PolarHBondContact O-N 3.27Å; I441-Y448 VanDerWaalsContact C-OH 3.3Å; I441-Y448 WeakPolarHBondContact CA-OH 3.23Å; I441-Y448 WeakPolarHBondContact CG2-OH 3.21Å; I441-Y448 PolarHBondContact O-OH 3.46Å; I441-F774 HydrophobicContact CD1-CZ 4.33Å; I441-F774 HydrophobicContact CG1-CE2 4.49Å; I441-F774 HydrophobicContact CG2-CE2 4.48Å; I441-L778 HydrophobicContact CD1-CD1 3.88Å; I441-L778 HydrophobicContact CG1-CD1 4.17Å; I441-I781 HydrophobicContact CG1-CD1 4.17Å
442	L	81.9	Confident	77.7	Confident	10 Å²	10	40 Å²	40	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-39.6	177.4	-68.5	169.2	0	0	0	111.4	L400 R403 A404 I407 I438 A439 S440 R445	L400-L442 HydrophobicContact CD2-CD1 3.91Å; R403-L442 HydrophobicContact CB-CD1 4.42Å; R403-L442 HydrophobicContact CB-CD2 3.8Å; A404-L442 HydrophobicContact CB-CD2 4.38Å; A404-L442 HydrophobicContact CB-CG 4.48Å; I407-L442 HydrophobicContact CD1-CD2 3.71Å; I438-L442 HydrophobicContact CG2-CD1 4.25Å; I438-L442 VanDerWaalsContact O-CG 3.25Å; I438-L442 WeakPolarHBondContact O-CG 3.36Å; I438-L442 PolarHBondContact O-N 3.35Å; A439-L442 CarbonylContact O-C 3.59Å; A439-L442 WeakPolarHBondContact O-CA 3.3Å; A439-L442 WeakPolarHBondContact O-CB 3.31Å; A439-L442 PolarHBondContact O-N 3.44Å; S440-L442 VanDerWaalsContact C-N 3.33Å; L442-R445 VanDerWaalsContact O-CD 3.31Å; L442-R445 WeakPolarHBondContact O-CD 3.32Å; L442-R445 VanDerWaalsContact O-CG 3.29Å; L442-R445 WeakPolarHBondContact O-CG 3.39Å; L442-R445 PolarHBondContact O-NH1 2.8Å
443	E	82.8	Confident	79.6	Confident	135 Å²	135	44.2 Å²	44.2	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-68.3	-46.1	179.5	-72.5	163.1	-173.2	0	0	112.3	A439 S440 R445	A439-E443 VanDerWaalsContact O-CG 3.32Å; A439-E443 WeakPolarHBondContact O-CG 3.49Å; A439-E443 PolarHBondContact O-N 3.13Å; S440-E443 PolarHBondContact O-N 3.02Å; E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.27Å
444	N	85.7	Confident	81.8	Confident	69 Å²	69	44.5 Å²	44.5	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	12.3	-176.2	-66.6	-83	0	0	0	113.8	S440 E446 V447 Y448 I781	S440-N444 VanDerWaalsContact O-CB 3.32Å; S440-N444 WeakPolarHBondContact O-CB 3.47Å; S440-N444 PolarHBondContact O-N 3.29Å; S440-N444 PolarHBondContact O-ND2 3.29Å; N444-E446 PolarHBondContact O-N 2.98Å; N444-E446 VanDerWaalsContact O-N 3.09Å; N444-V447 HydrophobicContact CB-CG2 4.49Å; N444-V447 WeakPolarHBondContact O-CB 3.39Å; N444-V447 WeakPolarHBondContact O-CG2 3.3Å; N444-V447 PolarHBondContact O-N 3.41Å; N444-Y448 WeakPolarHBondContact O-CE1 3.22Å; N444-I781 HydrophobicContact CB-CD1 4.19Å
445	R	85.2	Confident	83.4	Confident	60 Å²	60	45 Å²	45	23%	0.226	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-56.3	-31.1	-172.2	69.7	-176.6	178.3	-82.7	-7.1	114.4	I407 I441 L442 E443 V447 Y448 L449	I407-R445 HydrophobicContact CD1-CB 3.84Å; I441-R445 PolarHBondContact O-N 3.27Å; L442-R445 VanDerWaalsContact O-CD 3.31Å; L442-R445 WeakPolarHBondContact O-CD 3.32Å; L442-R445 VanDerWaalsContact O-CG 3.29Å; L442-R445 WeakPolarHBondContact O-CG 3.39Å; L442-R445 PolarHBondContact O-NH1 2.8Å; E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.27Å; R445-V447 PolarHBondContact O-N 2.91Å; R445-Y448 HydrophobicContact CB-CE2 4.34Å; R445-Y448 PolarHBondContact O-N 2.72Å; R445-L449 HydrophobicContact CB-CD1 3.75Å; R445-L449 HydrophobicContact CB-CG 4.31Å; R445-L449 HydrophobicContact CG-CD1 4.16Å; R445-L449 VanDerWaalsContact O-CB 3.23Å; R445-L449 WeakPolarHBondContact O-CB 3.42Å; R445-L449 WeakPolarHBondContact O-CG 3.43Å; R445-L449 PolarHBondContact O-N 2.87Å
446	E	85.4	Confident	85	Confident	108 Å²	108	42.6 Å²	42.6	51%	0.505	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.9	-19.2	-178.9	-59.3	-170	172.3	0	0	113.1	N444 Y448	N444-E446 PolarHBondContact O-N 2.98Å; N444-E446 VanDerWaalsContact O-N 3.09Å; E446-Y448 VanDerWaalsContact C-N 3.35Å; E446-Y448 PolarHBondContact O-N 3.42Å
447	V	89.4	Confident	86.4	Confident	85 Å²	85	40.6 Å²	40.6	52%	0.515	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-67.6	-35.4	178.8	178	0	0	0	0	112.1	N444 R445 A777	N444-V447 HydrophobicContact CB-CG2 4.49Å; N444-V447 WeakPolarHBondContact O-CB 3.39Å; N444-V447 WeakPolarHBondContact O-CG2 3.3Å; N444-V447 PolarHBondContact O-N 3.41Å; R445-V447 PolarHBondContact O-N 2.91Å; V447-A777 HydrophobicContact CG1-CB 3.98Å
448	Y	88	Confident	87.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	1	-171.6	50.6	-103.8	0	0	0	114.3	I407 I441 N444 R445 E446 M769 D770 F774 A777	I407-Y448 HydrophobicContact CG2-CE2 3.75Å; I441-Y448 VanDerWaalsContact C-OH 3.3Å; I441-Y448 WeakPolarHBondContact CA-OH 3.23Å; I441-Y448 WeakPolarHBondContact CG2-OH 3.21Å; I441-Y448 PolarHBondContact O-OH 3.46Å; N444-Y448 WeakPolarHBondContact O-CE1 3.22Å; R445-Y448 HydrophobicContact CB-CE2 4.34Å; R445-Y448 PolarHBondContact O-N 2.72Å; E446-Y448 VanDerWaalsContact C-N 3.35Å; E446-Y448 PolarHBondContact O-N 3.42Å; Y448-M769 HydrophobicContact CD2-CG 4.38Å; Y448-D770 PolarHBondContact O-N 3.46Å; Y448-F774 AromaticContact CD1-CD2 3.8Å; Y448-F774 HydrophobicContact CD1-CD2 3.8Å; Y448-F774 HydrophobicContact CD2-CB 4.32Å; Y448-F774 AromaticContact CD2-CD2 3.68Å; Y448-F774 HydrophobicContact CD2-CD2 3.68Å; Y448-F774 HydrophobicContact CD2-CG 4.42Å; Y448-F774 AromaticContact CE1-CD2 3.74Å; Y448-F774 HydrophobicContact CE1-CD2 3.74Å; Y448-F774 HydrophobicContact CE1-CE2 4.14Å; Y448-F774 AromaticContact CE2-CD2 3.66Å; Y448-F774 HydrophobicContact CE2-CD2 3.66Å; Y448-F774 HydrophobicContact CE2-CE2 4.08Å; Y448-F774 HydrophobicContact CG-CB 4.01Å; Y448-F774 AromaticContact CG-CD2 3.74Å; Y448-F774 HydrophobicContact CG-CD2 3.74Å; Y448-F774 HydrophobicContact CG-CG 4.38Å; Y448-F774 AromaticContact CZ-CD2 3.64Å; Y448-F774 AromaticContact CZ-CE2 3.82Å; Y448-A777 HydrophobicContact CD1-CB 3.62Å; Y448-A777 HydrophobicContact CE1-CB 4.07Å
449	L	88	Confident	88.8	Confident	16 Å²	16	40.6 Å²	40.6	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.9	169.3	-67.3	-175	0	0	0	109.7	I407 R445 Q767 K768 M769	I407-L449 HydrophobicContact CD1-CD1 4.42Å; I407-L449 HydrophobicContact CG1-CD1 4.38Å; I407-L449 HydrophobicContact CG2-CD1 4.43Å; I407-L449 HydrophobicContact CG2-CD2 4.07Å; R445-L449 HydrophobicContact CB-CD1 3.75Å; R445-L449 HydrophobicContact CB-CG 4.31Å; R445-L449 HydrophobicContact CG-CD1 4.16Å; R445-L449 VanDerWaalsContact O-CB 3.23Å; R445-L449 WeakPolarHBondContact O-CB 3.42Å; R445-L449 WeakPolarHBondContact O-CG 3.43Å; R445-L449 PolarHBondContact O-N 2.87Å; L449-Q767 HydrophobicContact CB-CB 4.19Å; L449-Q767 HydrophobicContact CB-CG 4.35Å; L449-Q767 HydrophobicContact CD1-CB 4.09Å; L449-Q767 HydrophobicContact CD1-CG 4.42Å; L449-K768 WeakPolarHBondContact CA-O 3.47Å; L449-M769 HydrophobicContact CD2-CB 3.87Å
450	G	87	Confident	89.9	Confident	34 Å²	34	39 Å²	39	35%	0.351	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	152	165.9	0	0	0	0	0	110.9	Q767 K768	G450-Q767 CarbonylContact O-C 3.59Å; G450-Q767 VanDerWaalsContact O-CA 3.25Å; G450-Q767 WeakPolarHBondContact O-CA 3.37Å; G450-K768 PolarHBondContact N-O 2.85Å; G450-K768 PolarHBondContact O-N 3.34Å
451	E	89.6	Confident	90.7	Very high	76 Å²	76	37.5 Å²	37.5	36%	0.355	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.6	175.6	-66.3	-175.4	156.4	0	0	110.7	K737 R739 A765 I766 Q767	E451-K737 IonicContact OE2-NZ 2.76Å; E451-K737 PolarHBondContact OE2-NZ 3.3Å; E451-R739 VanDerWaalsContact OE1-CD 3.24Å; E451-R739 WeakPolarHBondContact OE1-CD 3.38Å; E451-A765 HydrophobicContact CB-CB 4.28Å; E451-A765 HydrophobicContact CG-CB 4.34Å; E451-I766 WeakPolarHBondContact CA-O 3.13Å; E451-Q767 HydrophobicContact CG-CG 4.13Å
452	S	89.7	Confident	91.3	Very high	49 Å²	49	37.5 Å²	37.5	34%	0.343	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.3	166.6	57.6	0	0	0	0	108.9	I766	S452-I766 PolarHBondContact N-O 3.32Å; S452-I766 PolarHBondContact O-N 3.45Å; S452-I766 PolarHBondContact OG-O 3.26Å
453	N	93.4	Very high	91.8	Very high	91 Å²	91	37.1 Å²	37.1	49%	0.487	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.9	179	-69.4	-3.9	0	0	0	110.1	E763 V764	N453-E763 HydrophobicContact CB-CG 3.89Å; N453-E763 VanDerWaalsContact ND2-CD 3.28Å; N453-E763 PolarHBondContact ND2-OE2 2.95Å; N453-V764 WeakPolarHBondContact CA-O 3.49Å
454	L	95.2	Very high	91.9	Very high	18 Å²	18	33.5 Å²	33.5	9%	0.094	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.6	167.5	-62.3	-170.2	0	0	0	109.8	D500 L563 L595 V764 I766	L454-D500 VanDerWaalsContact CA-OD2 3.32Å; L454-D500 WeakPolarHBondContact CA-OD2 3.39Å; L454-D500 HydrophobicContact CB-CB 3.94Å; L454-D500 HydrophobicContact CD1-CB 4.27Å; L454-D500 HydrophobicContact CD2-CB 4.3Å; L454-D500 HydrophobicContact CG-CB 4.4Å; L454-L563 HydrophobicContact CD1-CD1 4Å; L454-L563 HydrophobicContact CD1-CD2 4.1Å; L454-L595 HydrophobicContact CD1-CD2 3.6Å; L454-V764 PolarHBondContact N-O 3.34Å; L454-V764 PolarHBondContact O-N 3.23Å; L454-I766 HydrophobicContact CB-CG1 4.02Å; L454-I766 HydrophobicContact CD1-CB 4.41Å; L454-I766 HydrophobicContact CD1-CG1 3.81Å; L454-I766 HydrophobicContact CG-CB 4.38Å; L454-I766 HydrophobicContact CG-CG1 3.85Å
455	T	95.8	Very high	91.3	Very high	36 Å²	36	30.6 Å²	30.6	22%	0.221	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.8	177.6	53.9	0	0	0	0	111.3	Y499 D500 I501 L743 F762	T455-Y499 VanDerWaalsContact OG1-CA 3.23Å; T455-Y499 WeakPolarHBondContact OG1-CA 3.33Å; T455-D500 PolarHBondContact N-OD2 3.34Å; T455-D500 WeakPolarHBondContact O-CA 3.43Å; T455-D500 WeakPolarHBondContact O-CB 3.28Å; T455-D500 PolarHBondContact O-N 3.14Å; T455-D500 PolarHBondContact OG1-N 2.99Å; T455-D500 VanDerWaalsContact OG1-N 3.13Å; T455-D500 PolarHBondContact OG1-OD2 3.01Å; T455-I501 PolarHBondContact O-N 3.11Å; T455-I501 VanDerWaalsContact O-N 3.13Å; T455-L743 HydrophobicContact CG2-CD1 4.43Å; T455-F762 CarbonylContact C-O 3.57Å; T455-F762 VanDerWaalsContact CA-O 3.25Å; T455-F762 WeakPolarHBondContact CA-O 3.38Å
456	I	97.5	Very high	90.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.1	-179.2	-53.5	-170.8	0	0	0	109.4	I501 L600 F602 F643 I761 F762 V764	I456-I501 WeakPolarHBondContact CA-O 3.4Å; I456-I501 HydrophobicContact CB-CB 4.46Å; I456-I501 HydrophobicContact CD1-CD1 4.07Å; I456-I501 HydrophobicContact CG1-CB 4.13Å; I456-I501 HydrophobicContact CG1-CD1 4.23Å; I456-I501 HydrophobicContact CG1-CG1 4.38Å; I456-I501 HydrophobicContact CG2-CB 4.18Å; I456-I501 HydrophobicContact CG2-CG2 4.3Å; I456-L600 HydrophobicContact CD1-CD1 4.32Å; I456-F602 HydrophobicContact CD1-CZ 4.36Å; I456-F602 HydrophobicContact CG2-CE1 3.8Å; I456-F602 HydrophobicContact CG2-CZ 4.12Å; I456-F643 HydrophobicContact CD1-CE2 4.04Å; I456-F643 HydrophobicContact CD1-CZ 4.11Å; I456-I761 CarbonylContact O-C 3.57Å; I456-I761 WeakPolarHBondContact O-CA 3.31Å; I456-F762 HydrophobicContact CB-CB 4.41Å; I456-F762 PolarHBondContact N-O 2.96Å; I456-F762 PolarHBondContact O-N 2.94Å; I456-V764 HydrophobicContact CD1-CB 4.17Å; I456-V764 HydrophobicContact CD1-CG2 3.69Å; I456-V764 HydrophobicContact CG1-CG2 3.97Å
457	F	97.6	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.5	167.9	176.3	-85.1	0	0	0	110.2	W483 L484 L487 Y499 I501 Y502 A503 I504 A760 I761	F457-W483 VanDerWaalsContact CE2-O 3.3Å; F457-W483 WeakPolarHBondContact CE2-O 3.46Å; F457-W483 AromaticContact CZ-NE1 3.81Å; F457-W483 WeakPolarHBondContact CZ-O 3.35Å; F457-L484 HydrophobicContact CE1-CD2 3.72Å; F457-L484 HydrophobicContact CZ-CD2 3.99Å; F457-L487 HydrophobicContact CE2-CD2 3.8Å; F457-Y499 HydrophobicContact CB-CD2 3.51Å; F457-Y499 HydrophobicContact CB-CE2 4.05Å; F457-Y499 HydrophobicContact CB-CG 4.16Å; F457-Y499 HydrophobicContact CD2-CD2 4.16Å; F457-Y499 AromaticContact CD2-CE2 3.83Å; F457-Y499 HydrophobicContact CD2-CE2 3.83Å; F457-Y499 HydrophobicContact CG-CD2 4.16Å; F457-Y499 HydrophobicContact CG-CE2 4.3Å; F457-I501 PolarHBondContact N-O 3.48Å; F457-Y502 HydrophobicContact CB-CD1 3.78Å; F457-Y502 HydrophobicContact CB-CE1 3.93Å; F457-Y502 HydrophobicContact CB-CG 4.3Å; F457-Y502 AromaticContact CD1-CD1 3.47Å; F457-Y502 HydrophobicContact CD1-CD1 3.47Å; F457-Y502 VanDerWaalsContact CD1-CD1 3.47Å; F457-Y502 AromaticContact CD1-CE1 3.92Å; F457-Y502 HydrophobicContact CD1-CE1 3.92Å; F457-Y502 HydrophobicContact CD1-CG 4.44Å; F457-Y502 HydrophobicContact CD2-CE1 4.44Å; F457-Y502 HydrophobicContact CE1-CD1 4.23Å; F457-Y502 AromaticContact CG-CD1 3.77Å; F457-Y502 HydrophobicContact CG-CD1 3.77Å; F457-Y502 AromaticContact CG-CE1 3.85Å; F457-Y502 HydrophobicContact CG-CE1 3.85Å; F457-Y502 CarbonylContact O-C 3.56Å; F457-Y502 WeakPolarHBondContact O-CA 3.25Å; F457-A503 PolarHBondContact O-N 3.1Å; F457-I504 HydrophobicContact CE1-CG1 4.5Å; F457-A760 WeakPolarHBondContact CA-O 3.46Å; F457-I761 HydrophobicContact CD2-CG1 3.89Å
458	C	98.4	Very high	87.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	168.2	-63.9	0	0	0	0	109.6	A503 F645 V725 G759 A760 F762	C458-A503 CarbonylContact C-O 3.53Å; C458-A503 VanDerWaalsContact CA-O 3.29Å; C458-A503 WeakPolarHBondContact CA-O 3.24Å; C458-F645 HydrophobicContact CB-CD1 3.96Å; C458-F645 HydrophobicContact CB-CE1 3.99Å; C458-V725 HydrophobicContact CB-CG1 3.83Å; C458-G759 CarbonylContact O-C 3.49Å; C458-G759 VanDerWaalsContact O-CA 3.25Å; C458-G759 WeakPolarHBondContact O-CA 3.07Å; C458-A760 PolarHBondContact N-O 3.18Å; C458-A760 PolarHBondContact O-N 2.84Å; C458-F762 HydrophobicContact CB-CE2 3.96Å
459	G	97.9	Very high	85.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.3	177.9	0	0	0	0	0	112.3	A503 I504 G505 V758	G459-A503 PolarHBondContact N-O 2.92Å; G459-I504 CarbonylContact O-C 3.54Å; G459-I504 WeakPolarHBondContact O-CA 3.48Å; G459-G505 PolarHBondContact O-N 2.94Å; G459-V758 CarbonylContact C-O 3.48Å; G459-V758 VanDerWaalsContact CA-O 3.27Å; G459-V758 WeakPolarHBondContact CA-O 3.49Å
460	T	98.3	Very high	83.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	168.6	-175	0	0	0	0	112	G505 Q507 G646 D723 V725 V758	T460-G505 CarbonylContact C-O 3.26Å; T460-G505 VanDerWaalsContact CA-O 3.28Å; T460-G505 WeakPolarHBondContact CA-O 3.23Å; T460-Q507 PolarHBondContact OG1-NE2 3.42Å; T460-Q507 PolarHBondContact OG1-OE1 2.87Å; T460-G646 WeakPolarHBondContact OG1-CA 3.47Å; T460-D723 HydrophobicContact CG2-CB 4.06Å; T460-V725 HydrophobicContact CG2-CG2 4.2Å; T460-V758 HydrophobicContact CG2-CB 3.96Å; T460-V758 PolarHBondContact N-O 3.31Å; T460-V758 PolarHBondContact O-N 2.8Å
461	W	96.1	Very high	81.6	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	118.8	173.8	-170.7	23.6	0	0	0	112.9	V463 L468 L480 W483 G505 L506 Q507 W528 L750 T752 H755 P757	W461-V463 HydrophobicContact CB-CG1 4.4Å; W461-V463 HydrophobicContact CD2-CG1 3.52Å; W461-V463 HydrophobicContact CE3-CG1 3.54Å; W461-V463 HydrophobicContact CG-CG1 3.93Å; W461-V463 HydrophobicContact CZ3-CG1 4.09Å; W461-V463 PolarHBondContact O-N 3.03Å; W461-L468 HydrophobicContact CH2-CD1 3.49Å; W461-L468 VanDerWaalsContact CH2-CD1 3.49Å; W461-L468 HydrophobicContact CH2-CD2 3.52Å; W461-L468 HydrophobicContact CH2-CG 4.12Å; W461-L468 HydrophobicContact CZ2-CD1 3.98Å; W461-L468 HydrophobicContact CZ3-CD1 3.89Å; W461-L468 HydrophobicContact CZ3-CD2 4.01Å; W461-L480 HydrophobicContact CZ3-CD2 4.24Å; W461-W483 HydrophobicContact CB-CH2 3.71Å; W461-W483 HydrophobicContact CB-CZ2 4.09Å; W461-W483 HydrophobicContact CB-CZ3 4.28Å; W461-W483 HydrophobicContact CE3-CE3 4.48Å; W461-W483 HydrophobicContact CE3-CZ3 4.01Å; W461-G505 PolarHBondContact N-O 3.01Å; W461-L506 HydrophobicContact CB-CD2 4.01Å; W461-L506 VanDerWaalsContact O-CA 3.29Å; W461-L506 WeakPolarHBondContact O-CA 3.45Å; W461-Q507 PolarHBondContact O-N 2.99Å; W461-Q507 PolarHBondContact O-OE1 3.05Å; W461-W528 HydrophobicContact CE3-CH2 4.12Å; W461-W528 HydrophobicContact CH2-CH2 4.5Å; W461-W528 AromaticContact CZ3-CH2 3.64Å; W461-W528 HydrophobicContact CZ3-CH2 3.64Å; W461-W528 HydrophobicContact CZ3-CZ3 4.23Å; W461-L750 HydrophobicContact CH2-CB 4.16Å; W461-L750 HydrophobicContact CH2-CD1 4.01Å; W461-L750 HydrophobicContact CZ2-CB 4.07Å; W461-L750 HydrophobicContact CZ3-CD1 4.04Å; W461-T752 WeakPolarHBondContact CH2-OG1 3.4Å; W461-T752 WeakPolarHBondContact CZ2-OG1 3.5Å; W461-H755 PolarHBondContact NE1-O 2.97Å; W461-H755 VanDerWaalsContact NE1-O 3.09Å; W461-P757 HydrophobicContact CB-CB 4Å; W461-P757 HydrophobicContact CD2-CB 4.13Å; W461-P757 HydrophobicContact CD2-CG 3.73Å; W461-P757 HydrophobicContact CE3-CG 4.26Å; W461-P757 HydrophobicContact CG-CB 3.8Å; W461-P757 HydrophobicContact CG-CG 3.84Å; W461-P757 HydrophobicContact CZ2-CG 4.26Å
462	N	95.1	Very high	79.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.8	164	-174.5	-27.2	0	0	0	109.4	N464 Q507 E508 D647 S753 H755	N462-N464 PolarHBondContact OD1-N 3.38Å; N462-N464 VanDerWaalsContact OD1-N 3.14Å; N462-Q507 WeakPolarHBondContact CA-O 3.3Å; N462-Q507 HydrophobicContact CB-CB 4.15Å; N462-Q507 VanDerWaalsContact N-OE1 3.12Å; N462-E508 PolarHBondContact ND2-OE1 2.91Å; N462-E508 WeakPolarHBondContact OD1-CB 3.32Å; N462-E508 WeakPolarHBondContact OD1-CG 3.45Å; N462-D647 HydrophobicContact CB-CB 4.43Å; N462-D647 PolarHBondContact ND2-OD2 2.98Å; N462-S753 WeakPolarHBondContact O-CB 3.08Å; N462-S753 PolarHBondContact O-OG 2.86Å; N462-H755 HydrophobicContact CB-CB 4.07Å
463	V	90.8	Very high	77.7	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.018	19%	0.193	C	C	.	.			trans	-99.7	10.4	-171.8	-62.6	0	0	0	0	114.1	W461 G465 G466 L468 L506 Q507 M509 W528	W461-V463 HydrophobicContact CB-CG1 4.4Å; W461-V463 HydrophobicContact CD2-CG1 3.52Å; W461-V463 HydrophobicContact CE3-CG1 3.54Å; W461-V463 HydrophobicContact CG-CG1 3.93Å; W461-V463 HydrophobicContact CZ3-CG1 4.09Å; W461-V463 PolarHBondContact O-N 3.03Å; V463-G465 PolarHBondContact O-N 3.07Å; V463-G466 PolarHBondContact O-N 2.8Å; V463-G466 VanDerWaalsContact O-N 3.07Å; V463-L468 HydrophobicContact CB-CD1 3.82Å; V463-L468 HydrophobicContact CG1-CD1 3.93Å; V463-L506 HydrophobicContact CG1-CD2 3.98Å; V463-Q507 WeakPolarHBondContact CG2-O 3.06Å; V463-Q507 PolarHBondContact N-O 3.14Å; V463-M509 HydrophobicContact CG2-CB 4.29Å; V463-W528 HydrophobicContact CB-CZ2 4.33Å; V463-W528 HydrophobicContact CG1-CH2 4.14Å; V463-W528 HydrophobicContact CG1-CZ2 3.88Å; V463-W528 HydrophobicContact CG2-CZ2 4.49Å
464	N	86.1	Confident	75.8	Confident	58 Å²	58	29.8 Å²	29.8	31%	0.31	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	59.5	169.7	-169.6	14.7	0	0	0	114.3	N462 D754	N462-N464 PolarHBondContact OD1-N 3.38Å; N462-N464 VanDerWaalsContact OD1-N 3.14Å; N464-D754 VanDerWaalsContact CB-OD1 3.26Å; N464-D754 WeakPolarHBondContact CB-OD1 3.12Å; N464-D754 VanDerWaalsContact CG-OD1 3.26Å; N464-D754 PolarHBondContact ND2-OD1 3.1Å
465	G	72.7	Confident	73.7	Confident	9 Å²	9	38.9 Å²	38.9	9%	0.093	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-7.8	177.4	0	0	0	0	0	115.6	V463 E508 D511	V463-G465 PolarHBondContact O-N 3.07Å; G465-E508 CarbonylContact C-O 3.38Å; G465-E508 WeakPolarHBondContact CA-O 3.5Å; G465-E508 PolarHBondContact N-O 2.93Å; G465-D511 WeakPolarHBondContact CA-OD1 3.23Å
466	G	60.7	Low	71.5	Confident	9 Å²	9	45.5 Å²	45.5	9%	0.093	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	30.1	170.9	0	0	0	0	0	115.2	V463 L468	V463-G466 PolarHBondContact O-N 2.8Å; V463-G466 VanDerWaalsContact O-N 3.07Å; G466-L468 PolarHBondContact O-N 3.27Å
467	Q	56.7	Low	69.2	Low	115 Å²	115	52.6 Å²	52.6	54%	0.537	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-0	178.7	-59.5	-172.6	5.7	0	0	115.1	S471	Q467-S471 WeakPolarHBondContact O-CB 3.47Å; Q467-S471 PolarHBondContact O-N 3.28Å
468	L	55.9	Low	67.3	Low	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.4	-168.2	-88.8	135	0	0	0	115.6	W461 V463 G466 F474 W528 T752	W461-L468 HydrophobicContact CH2-CD1 3.49Å; W461-L468 VanDerWaalsContact CH2-CD1 3.49Å; W461-L468 HydrophobicContact CH2-CD2 3.52Å; W461-L468 HydrophobicContact CH2-CG 4.12Å; W461-L468 HydrophobicContact CZ2-CD1 3.98Å; W461-L468 HydrophobicContact CZ3-CD1 3.89Å; W461-L468 HydrophobicContact CZ3-CD2 4.01Å; V463-L468 HydrophobicContact CB-CD1 3.82Å; V463-L468 HydrophobicContact CG1-CD1 3.93Å; G466-L468 PolarHBondContact O-N 3.27Å; L468-F474 HydrophobicContact CD2-CB 4.44Å; L468-F474 HydrophobicContact CD2-CD1 4.05Å; L468-F474 HydrophobicContact CD2-CD2 3.19Å; L468-F474 HydrophobicContact CD2-CE1 3.96Å; L468-F474 HydrophobicContact CD2-CE2 3.07Å; L468-F474 HydrophobicContact CD2-CG 3.65Å; L468-F474 HydrophobicContact CD2-CZ 3.44Å; L468-F474 VanDerWaalsContact CD2-CZ 3.44Å; L468-F474 WeakPolarHBondContact O-CD1 3.5Å; L468-W528 HydrophobicContact CB-CH2 3.86Å; L468-W528 HydrophobicContact CB-CZ2 3.61Å; L468-W528 HydrophobicContact CD1-CH2 3.72Å; L468-W528 HydrophobicContact CD1-CZ2 3.63Å; L468-W528 HydrophobicContact CD2-CH2 4.05Å; L468-W528 HydrophobicContact CG-CH2 4.05Å; L468-W528 HydrophobicContact CG-CZ2 4.08Å; L468-T752 HydrophobicContact CD2-CG2 4.23Å; L468-T752 WeakPolarHBondContact CD2-OG1 3.46Å
469	T	51.4	Low	66.1	Low	50 Å²	50	56.8 Å²	56.8	31%	0.307	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-22.2	-174	58	0	0	0	0	113.4	H527	T469-H527 HydrophobicContact CG2-CB 3.61Å
470	S	46.5	Very low	65.5	Low	100 Å²	100	57.2 Å²	57.2	70%	0.699	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-18.1	-179.8	51.8	0	0	0	0	114.1
471	S	49.2	Very low	65	Low	32 Å²	32	58.5 Å²	58.5	22%	0.224	31%	0.31	C	S	.	.			trans	-78.6	124.2	-177.2	-178	0	0	0	0	112.3	Q467 V473 F474	Q467-S471 WeakPolarHBondContact O-CB 3.47Å; Q467-S471 PolarHBondContact O-N 3.28Å; S471-V473 PolarHBondContact O-N 2.97Å; S471-V473 WeakPolarHBondContact OG-CB 3.32Å; S471-V473 PolarHBondContact OG-N 3.06Å; S471-F474 PolarHBondContact O-N 2.91Å
472	V	47.4	Very low	64.6	Low	101 Å²	101	62.3 Å²	62.3	61%	0.612	33%	0.33	S	S	*	.	H	α-helix	trans	-58.3	-27.3	173.1	-178.8	0	0	0	0	111.5	R475	V472-R475 PolarHBondContact O-N 3.41Å
473	V	48.7	Very low	64.4	Low	55 Å²	55	62.3 Å²	62.3	33%	0.333	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-43.5	-178.5	-176.5	0	0	0	0	110.9	S471 R475 K476 E477 F706	S471-V473 PolarHBondContact O-N 2.97Å; S471-V473 WeakPolarHBondContact OG-CB 3.32Å; S471-V473 PolarHBondContact OG-N 3.06Å; V473-R475 VanDerWaalsContact C-N 3.27Å; V473-R475 PolarHBondContact O-N 2.73Å; V473-K476 PolarHBondContact O-N 2.71Å; V473-K476 VanDerWaalsContact O-N 3.12Å; V473-E477 PolarHBondContact O-N 3.49Å; V473-E477 VanDerWaalsContact O-N 3.1Å; V473-F706 HydrophobicContact CB-CE1 4.43Å; V473-F706 HydrophobicContact CG1-CD1 4.14Å; V473-F706 HydrophobicContact CG1-CE1 3.97Å
474	F	53.2	Low	64.5	Low	33 Å²	33	62.1 Å²	62.1	15%	0.145	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-33	179.2	-174.8	-114.7	0	0	0	112.8	L468 S471 K476 L480 T752	L468-F474 HydrophobicContact CD2-CB 4.44Å; L468-F474 HydrophobicContact CD2-CD1 4.05Å; L468-F474 HydrophobicContact CD2-CD2 3.19Å; L468-F474 HydrophobicContact CD2-CE1 3.96Å; L468-F474 HydrophobicContact CD2-CE2 3.07Å; L468-F474 HydrophobicContact CD2-CG 3.65Å; L468-F474 HydrophobicContact CD2-CZ 3.44Å; L468-F474 VanDerWaalsContact CD2-CZ 3.44Å; L468-F474 WeakPolarHBondContact O-CD1 3.5Å; S471-F474 PolarHBondContact O-N 2.91Å; F474-K476 VanDerWaalsContact C-N 3.28Å; F474-K476 PolarHBondContact O-N 3.39Å; F474-L480 HydrophobicContact CE1-CD1 4.33Å; F474-L480 HydrophobicContact CE1-CG 4.38Å; F474-L480 HydrophobicContact CE2-CD2 4.47Å; F474-L480 HydrophobicContact CE2-CG 4.45Å; F474-L480 HydrophobicContact CZ-CD1 3.96Å; F474-L480 HydrophobicContact CZ-CD2 3.85Å; F474-L480 HydrophobicContact CZ-CG 3.6Å; F474-T752 HydrophobicContact CD2-CG2 4.02Å
475	R	52.4	Low	64.5	Low	209 Å²	209	59.7 Å²	59.7	79%	0.789	32%	0.316	S	S	*	.	H	α-helix	trans	-69.6	-23.4	178	-68.5	-172.3	-171.6	176.1	3.2	113.6	V472 V473	V472-R475 PolarHBondContact O-N 3.41Å; V473-R475 VanDerWaalsContact C-N 3.27Å; V473-R475 PolarHBondContact O-N 2.73Å
476	K	48.6	Very low	65.1	Low	176 Å²	176	62.4 Å²	62.4	77%	0.765	33%	0.328	S	S	*	.	H	α-helix	trans	-105.3	-29.5	-172.3	-75.9	-171.7	174.4	-175.2	0	114.1	V473 F474	V473-K476 PolarHBondContact O-N 2.71Å; V473-K476 VanDerWaalsContact O-N 3.12Å; F474-K476 VanDerWaalsContact C-N 3.28Å; F474-K476 PolarHBondContact O-N 3.39Å
477	E	49.8	Very low	66.3	Low	148 Å²	148	62.7 Å²	62.7	69%	0.692	33%	0.328	S	S	*	.	H	α-helix	trans	-120	-10.7	-162	-69	-177.4	175.2	0	0	116	V473	V473-E477 PolarHBondContact O-N 3.49Å; V473-E477 VanDerWaalsContact O-N 3.1Å
478	S	56.9	Low	67	Low	28 Å²	28	59.8 Å²	59.8	20%	0.196	32%	0.32	C	S	.	.			trans	-152.7	105.4	-174.2	-53.6	0	0	0	0	113.1
479	S	73.1	Confident	67.2	Low	61 Å²	61	62.7 Å²	62.7	43%	0.427	34%	0.341	S	S	.	.			trans	-79.2	125.2	179.2	-174.8	0	0	0	0	111.3	S481 N482	S479-S481 VanDerWaalsContact CB-OG 3.3Å; S479-S481 WeakPolarHBondContact CB-OG 3.49Å; S479-S481 PolarHBondContact O-N 3.38Å; S479-S481 WeakPolarHBondContact OG-CB 3.48Å; S479-S481 PolarHBondContact OG-N 3.18Å; S479-S481 PolarHBondContact OG-OG 2.99Å; S479-N482 WeakPolarHBondContact O-CB 3.44Å; S479-N482 PolarHBondContact O-N 3.06Å
480	L	87.2	Confident	67.1	Low	8 Å²	8	65.9 Å²	65.9	4%	0.042	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-23.6	167.5	-75.8	171.3	0	0	0	112.8	W461 F474 N482 W483 L484 W528 A531 F532 V535 L750	W461-L480 HydrophobicContact CZ3-CD2 4.24Å; F474-L480 HydrophobicContact CE1-CD1 4.33Å; F474-L480 HydrophobicContact CE1-CG 4.38Å; F474-L480 HydrophobicContact CE2-CD2 4.47Å; F474-L480 HydrophobicContact CE2-CG 4.45Å; F474-L480 HydrophobicContact CZ-CD1 3.96Å; F474-L480 HydrophobicContact CZ-CD2 3.85Å; F474-L480 HydrophobicContact CZ-CG 3.6Å; L480-N482 PolarHBondContact O-N 3.15Å; L480-W483 HydrophobicContact CD2-CE3 4.34Å; L480-W483 PolarHBondContact O-N 3.38Å; L480-W483 VanDerWaalsContact O-N 3.07Å; L480-L484 HydrophobicContact CB-CD1 4.36Å; L480-L484 PolarHBondContact O-N 3.13Å; L480-W528 HydrophobicContact CD2-CZ3 4.32Å; L480-A531 HydrophobicContact CD1-CB 4.03Å; L480-F532 HydrophobicContact CD1-CD1 4.44Å; L480-V535 HydrophobicContact CB-CG2 3.82Å; L480-V535 HydrophobicContact CD1-CG2 4.28Å; L480-L750 HydrophobicContact CD2-CD1 4Å
481	S	86.8	Confident	66.8	Low	27 Å²	27	64.7 Å²	64.7	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-57.4	-30.7	174.7	66.4	0	0	0	0	112.8	S479 W483 L484 I485 N486	S479-S481 VanDerWaalsContact CB-OG 3.3Å; S479-S481 WeakPolarHBondContact CB-OG 3.49Å; S479-S481 PolarHBondContact O-N 3.38Å; S479-S481 WeakPolarHBondContact OG-CB 3.48Å; S479-S481 PolarHBondContact OG-N 3.18Å; S479-S481 PolarHBondContact OG-OG 2.99Å; S481-W483 PolarHBondContact O-N 3.24Å; S481-L484 PolarHBondContact O-N 2.94Å; S481-I485 WeakPolarHBondContact O-CA 3.4Å; S481-I485 VanDerWaalsContact O-CB 3.28Å; S481-I485 WeakPolarHBondContact O-CB 3.47Å; S481-I485 PolarHBondContact O-N 3.28Å; S481-N486 PolarHBondContact O-N 2.98Å
482	N	87	Confident	66.5	Low	80 Å²	80	71.6 Å²	71.6	43%	0.428	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-29.8	178.1	-71.9	-7.9	0	0	0	112.5	S479 L480 N486	S479-N482 WeakPolarHBondContact O-CB 3.44Å; S479-N482 PolarHBondContact O-N 3.06Å; L480-N482 PolarHBondContact O-N 3.15Å; N482-N486 PolarHBondContact OD1-ND2 2.94Å
483	W	92.1	Very high	66.7	Low	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-89.7	-43.6	176.7	178.4	36.5	0	0	0	112.6	F457 W461 L480 S481 I504 L506 F532 A748 L750 P757 V758	F457-W483 VanDerWaalsContact CE2-O 3.3Å; F457-W483 WeakPolarHBondContact CE2-O 3.46Å; F457-W483 AromaticContact CZ-NE1 3.81Å; F457-W483 WeakPolarHBondContact CZ-O 3.35Å; W461-W483 HydrophobicContact CB-CH2 3.71Å; W461-W483 HydrophobicContact CB-CZ2 4.09Å; W461-W483 HydrophobicContact CB-CZ3 4.28Å; W461-W483 HydrophobicContact CE3-CE3 4.48Å; W461-W483 HydrophobicContact CE3-CZ3 4.01Å; L480-W483 HydrophobicContact CD2-CE3 4.34Å; L480-W483 PolarHBondContact O-N 3.38Å; L480-W483 VanDerWaalsContact O-N 3.07Å; S481-W483 PolarHBondContact O-N 3.24Å; W483-I504 HydrophobicContact CH2-CG2 3.65Å; W483-I504 HydrophobicContact CZ2-CG2 4.45Å; W483-I504 HydrophobicContact CZ3-CG2 4.12Å; W483-L506 HydrophobicContact CH2-CD2 4.29Å; W483-F532 HydrophobicContact CZ3-CE1 4.23Å; W483-A748 HydrophobicContact CB-CB 3.58Å; W483-A748 HydrophobicContact CG-CB 4.06Å; W483-L750 HydrophobicContact CB-CD1 4.25Å; W483-P757 HydrophobicContact CD2-CB 3.6Å; W483-P757 HydrophobicContact CD2-CG 4.39Å; W483-P757 HydrophobicContact CE3-CB 4.15Å; W483-P757 HydrophobicContact CG-CB 3.81Å; W483-P757 HydrophobicContact CG-CG 4.48Å; W483-P757 HydrophobicContact CH2-CB 4.5Å; W483-P757 HydrophobicContact CZ2-CB 4Å; W483-V758 PolarHBondContact NE1-O 3.34Å
484	L	91.3	Very high	66.8	Low	0 Å²	0	74.4 Å²	74.4	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-88.1	-23.4	-170.9	-59.4	178.2	0	0	0	114.1	F457 L480 S481 Y502 I504 F532 V535 L536	F457-L484 HydrophobicContact CE1-CD2 3.72Å; F457-L484 HydrophobicContact CZ-CD2 3.99Å; L480-L484 HydrophobicContact CB-CD1 4.36Å; L480-L484 PolarHBondContact O-N 3.13Å; S481-L484 PolarHBondContact O-N 2.94Å; L484-Y502 HydrophobicContact CB-CE1 4.29Å; L484-Y502 VanDerWaalsContact O-CE1 3.23Å; L484-Y502 WeakPolarHBondContact O-CE1 3.39Å; L484-Y502 PolarHBondContact O-OH 3.35Å; L484-Y502 VanDerWaalsContact O-OH 3.05Å; L484-I504 HydrophobicContact CD1-CD1 4.33Å; L484-I504 HydrophobicContact CD2-CD1 3.65Å; L484-I504 HydrophobicContact CD2-CG1 4.26Å; L484-F532 HydrophobicContact CD1-CD1 3.82Å; L484-F532 HydrophobicContact CD1-CE1 4.39Å; L484-V535 HydrophobicContact CB-CG1 4.43Å; L484-V535 HydrophobicContact CD1-CB 4.4Å; L484-V535 HydrophobicContact CD1-CG1 4.18Å; L484-L536 HydrophobicContact CB-CD2 4.29Å; L484-L536 HydrophobicContact CD1-CD2 4.35Å
485	I	88.1	Confident	66.9	Low	6 Å²	6	77.1 Å²	77.1	3%	0.031	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-49.3	-171.9	-52.6	-60.6	0	0	0	110	S481 F496 V535 L536	S481-I485 WeakPolarHBondContact O-CA 3.4Å; S481-I485 VanDerWaalsContact O-CB 3.28Å; S481-I485 WeakPolarHBondContact O-CB 3.47Å; S481-I485 PolarHBondContact O-N 3.28Å; I485-F496 HydrophobicContact CB-CD2 4.41Å; I485-F496 HydrophobicContact CB-CE2 4.22Å; I485-F496 HydrophobicContact CB-CZ 4.31Å; I485-F496 HydrophobicContact CD1-CD1 4.42Å; I485-F496 HydrophobicContact CD1-CE1 3.63Å; I485-F496 HydrophobicContact CD1-CE2 4.44Å; I485-F496 HydrophobicContact CD1-CZ 3.68Å; I485-F496 HydrophobicContact CG2-CB 4.08Å; I485-F496 HydrophobicContact CG2-CD1 3.66Å; I485-F496 HydrophobicContact CG2-CD2 3.42Å; I485-F496 VanDerWaalsContact CG2-CD2 3.42Å; I485-F496 HydrophobicContact CG2-CE1 3.83Å; I485-F496 HydrophobicContact CG2-CE2 3.66Å; I485-F496 HydrophobicContact CG2-CG 3.43Å; I485-F496 VanDerWaalsContact CG2-CG 3.43Å; I485-F496 HydrophobicContact CG2-CZ 3.86Å; I485-F496 VanDerWaalsContact O-CD2 3.31Å; I485-F496 WeakPolarHBondContact O-CD2 3.36Å; I485-F496 WeakPolarHBondContact O-CE2 3.48Å; I485-V535 HydrophobicContact CG1-CG1 4.1Å; I485-L536 HydrophobicContact CD1-CD2 4.44Å
486	N	85.2	Confident	67.4	Low	67 Å²	67	69.7 Å²	69.7	36%	0.358	42%	0.416	S	S	.	.	S	Bend	trans	-96.7	14	-168.5	-54.1	-28.2	0	0	0	114.6	S481 N482 S488 S489	S481-N486 PolarHBondContact O-N 2.98Å; N482-N486 PolarHBondContact OD1-ND2 2.94Å; N486-S488 PolarHBondContact O-N 2.62Å; N486-S489 WeakPolarHBondContact CA-OG 3.27Å; N486-S489 PolarHBondContact O-N 2.88Å; N486-S489 PolarHBondContact O-OG 3.46Å
487	L	85	Confident	68.5	Low	15 Å²	15	67.7 Å²	67.7	8%	0.079	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.8	-172.8	-168.7	68.7	0	0	0	112.9	F457 N746 A748 G759 I761	F457-L487 HydrophobicContact CE2-CD2 3.8Å; L487-N746 HydrophobicContact CD1-CB 4.12Å; L487-N746 HydrophobicContact CG-CB 4.27Å; L487-A748 HydrophobicContact CD1-CB 4.49Å; L487-G759 VanDerWaalsContact CD2-C 3.46Å; L487-G759 VanDerWaalsContact CD2-CA 3.47Å; L487-G759 WeakPolarHBondContact CD2-O 3.34Å; L487-I761 HydrophobicContact CB-CD1 4.44Å
488	S	71.3	Confident	70.1	Confident	53 Å²	53	61.6 Å²	61.6	37%	0.371	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2.9	-179	63.5	0	0	0	0	114.2	N486 S490	N486-S488 PolarHBondContact O-N 2.62Å; S488-S490 VanDerWaalsContact C-N 3.26Å; S488-S490 PolarHBondContact O-N 3.18Å
489	S	61	Low	71.8	Confident	68 Å²	68	60.9 Å²	60.9	48%	0.476	38%	0.38	S	S	.	.			trans	-71.8	77.2	-169.1	-59.5	0	0	0	0	112.9	N486	N486-S489 WeakPolarHBondContact CA-OG 3.27Å; N486-S489 PolarHBondContact O-N 2.88Å; N486-S489 PolarHBondContact O-OG 3.46Å
490	S	47.3	Very low	72.8	Confident	117 Å²	117	59.4 Å²	59.4	82%	0.818	37%	0.367	S	S	*	.			trans	-93.7	-1.4	151.3	-51.1	0	0	0	0	111.2	S488	S488-S490 VanDerWaalsContact C-N 3.26Å; S488-S490 PolarHBondContact O-N 3.18Å
491	S	41.4	Very low	73.3	Confident	74 Å²	74	59 Å²	59	52%	0.517	37%	0.365	S	S	.	.			trans	-84	110.5	175.5	47.5	0	0	0	0	110.7	D493	S491-D493 PolarHBondContact O-N 2.92Å
492	N	42.9	Very low	73.8	Confident	177 Å²	177	57.7 Å²	57.7	95%	0.947	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	4.2	178.9	-81.1	-26.2	0	0	0	115.2
493	D	50.6	Low	74.3	Confident	136 Å²	136	53.9 Å²	53.9	73%	0.727	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.1	-169.5	-156.2	23.5	0	0	0	114.8	S491 S495	S491-D493 PolarHBondContact O-N 2.92Å; D493-S495 PolarHBondContact O-N 3.27Å
494	G	52.1	Low	74.6	Confident	79 Å²	79	53.9 Å²	53.9	81%	0.814	34%	0.336	S	S	*	.			trans	62.7	-3.8	171.1	0	0	0	0	0	116.8
495	S	54.6	Low	74.8	Confident	90 Å²	90	53.9 Å²	53.9	63%	0.629	34%	0.336	S	S	*	.			trans	-84	117.1	174.8	62.5	0	0	0	0	110	D493	D493-S495 PolarHBondContact O-N 3.27Å
496	F	63.2	Low	75.2	Confident	53 Å²	53	53.6 Å²	53.6	23%	0.232	34%	0.335	C	S	.	.			trans	-97.4	118.4	171.9	172.9	-106.4	0	0	0	108.3	I485 P498 Y499 Y502	I485-F496 HydrophobicContact CB-CD2 4.41Å; I485-F496 HydrophobicContact CB-CE2 4.22Å; I485-F496 HydrophobicContact CB-CZ 4.31Å; I485-F496 HydrophobicContact CD1-CD1 4.42Å; I485-F496 HydrophobicContact CD1-CE1 3.63Å; I485-F496 HydrophobicContact CD1-CE2 4.44Å; I485-F496 HydrophobicContact CD1-CZ 3.68Å; I485-F496 HydrophobicContact CG2-CB 4.08Å; I485-F496 HydrophobicContact CG2-CD1 3.66Å; I485-F496 HydrophobicContact CG2-CD2 3.42Å; I485-F496 VanDerWaalsContact CG2-CD2 3.42Å; I485-F496 HydrophobicContact CG2-CE1 3.83Å; I485-F496 HydrophobicContact CG2-CE2 3.66Å; I485-F496 HydrophobicContact CG2-CG 3.43Å; I485-F496 VanDerWaalsContact CG2-CG 3.43Å; I485-F496 HydrophobicContact CG2-CZ 3.86Å; I485-F496 VanDerWaalsContact O-CD2 3.31Å; I485-F496 WeakPolarHBondContact O-CD2 3.36Å; I485-F496 WeakPolarHBondContact O-CE2 3.48Å; F496-P498 HydrophobicContact CD1-CB 4.29Å; F496-P498 HydrophobicContact CD1-CG 4.34Å; F496-P498 HydrophobicContact CE1-CB 3.72Å; F496-P498 HydrophobicContact CE1-CG 4.26Å; F496-P498 HydrophobicContact CZ-CB 4.47Å; F496-P498 WeakPolarHBondContact O-CD 3.42Å; F496-Y499 HydrophobicContact CE2-CE1 4.46Å; F496-Y499 AromaticContact CE2-CE2 3.97Å; F496-Y499 HydrophobicContact CE2-CE2 3.97Å; F496-Y499 AromaticContact CE2-CZ 3.87Å; F496-Y499 HydrophobicContact CZ-CD2 4.31Å; F496-Y499 HydrophobicContact CZ-CE2 4.08Å; F496-Y502 WeakPolarHBondContact CZ-OH 3.5Å
497	D	72.3	Confident	75.6	Confident	135 Å²	135	50.4 Å²	50.4	72%	0.722	32%	0.317	S	S	*	.			trans	-85.6	115.1	167	-165.1	5.9	0	0	0	108.4	R560	D497-R560 IonicContact OD1-NH2 3.89Å
498	P	82.2	Confident	75.8	Confident	19 Å²	19	52.1 Å²	52.1	12%	0.123	33%	0.325	C	S	.	.			trans	-64.9	138.9	-174.3	-4.9	13.6	0	0	0	112.6	F496 Y542 R560	F496-P498 HydrophobicContact CD1-CB 4.29Å; F496-P498 HydrophobicContact CD1-CG 4.34Å; F496-P498 HydrophobicContact CE1-CB 3.72Å; F496-P498 HydrophobicContact CE1-CG 4.26Å; F496-P498 HydrophobicContact CZ-CB 4.47Å; F496-P498 WeakPolarHBondContact O-CD 3.42Å; P498-Y542 HydrophobicContact CB-CE2 4.4Å; P498-Y542 WeakPolarHBondContact CB-OH 3.27Å; P498-R560 PolarHBondContact O-NE 2.88Å; P498-R560 PolarHBondContact O-NH2 3.22Å
499	Y	92.8	Very high	76.3	Confident	13 Å²	13	49.6 Å²	49.6	5%	0.051	31%	0.307	C	S	.	.			trans	-66.4	157.4	177.9	-49.6	-53.9	0	0	0	112	T455 F457 F496 Y502 Y542 R560 I761	T455-Y499 VanDerWaalsContact OG1-CA 3.23Å; T455-Y499 WeakPolarHBondContact OG1-CA 3.33Å; F457-Y499 HydrophobicContact CB-CD2 3.51Å; F457-Y499 HydrophobicContact CB-CE2 4.05Å; F457-Y499 HydrophobicContact CB-CG 4.16Å; F457-Y499 HydrophobicContact CD2-CD2 4.16Å; F457-Y499 AromaticContact CD2-CE2 3.83Å; F457-Y499 HydrophobicContact CD2-CE2 3.83Å; F457-Y499 HydrophobicContact CG-CD2 4.16Å; F457-Y499 HydrophobicContact CG-CE2 4.3Å; F496-Y499 HydrophobicContact CE2-CE1 4.46Å; F496-Y499 AromaticContact CE2-CE2 3.97Å; F496-Y499 HydrophobicContact CE2-CE2 3.97Å; F496-Y499 AromaticContact CE2-CZ 3.87Å; F496-Y499 HydrophobicContact CZ-CD2 4.31Å; F496-Y499 HydrophobicContact CZ-CE2 4.08Å; Y499-Y502 AromaticContact CD2-CE1 3.77Å; Y499-Y502 HydrophobicContact CD2-CE1 3.77Å; Y499-Y502 AromaticContact CD2-CE2 3.91Å; Y499-Y502 HydrophobicContact CD2-CE2 3.91Å; Y499-Y502 AromaticContact CD2-CZ 3.37Å; Y499-Y502 WeakPolarHBondContact CD2-OH 3.25Å; Y499-Y502 HydrophobicContact CE2-CE1 4.35Å; Y499-Y502 HydrophobicContact CG-CE2 4.34Å; Y499-Y542 PolarHBondContact N-OH 2.87Å; Y499-Y542 WeakPolarHBondContact O-CE1 3.48Å; Y499-Y542 VanDerWaalsContact O-CZ 3.32Å; Y499-Y542 PolarHBondContact O-OH 2.95Å; Y499-R560 PolarHBondContact O-NE 3Å; Y499-I761 HydrophobicContact CD1-CG2 4.08Å; Y499-I761 HydrophobicContact CE1-CD1 4.14Å; Y499-I761 HydrophobicContact CE1-CG1 4.2Å; Y499-I761 HydrophobicContact CE1-CG2 3.68Å; Y499-I761 HydrophobicContact CE2-CD1 4.22Å; Y499-I761 HydrophobicContact CE2-CG1 4.18Å; Y499-I761 WeakPolarHBondContact OH-CD1 3.46Å
500	D	94.8	Very high	76.8	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	29%	0.286	C	S	.	.	S	Bend	trans	-77.4	-35.4	179.3	-64.5	-68.5	0	0	0	112.4	L454 T455 V559 R560 L563	L454-D500 VanDerWaalsContact CA-OD2 3.32Å; L454-D500 WeakPolarHBondContact CA-OD2 3.39Å; L454-D500 HydrophobicContact CB-CB 3.94Å; L454-D500 HydrophobicContact CD1-CB 4.27Å; L454-D500 HydrophobicContact CD2-CB 4.3Å; L454-D500 HydrophobicContact CG-CB 4.4Å; T455-D500 PolarHBondContact N-OD2 3.34Å; T455-D500 WeakPolarHBondContact O-CA 3.43Å; T455-D500 WeakPolarHBondContact O-CB 3.28Å; T455-D500 PolarHBondContact O-N 3.14Å; T455-D500 PolarHBondContact OG1-N 2.99Å; T455-D500 VanDerWaalsContact OG1-N 3.13Å; T455-D500 PolarHBondContact OG1-OD2 3.01Å; D500-V559 WeakPolarHBondContact O-CA 3.07Å; D500-R560 PolarHBondContact O-N 3.32Å; D500-R560 VanDerWaalsContact O-N 3.08Å; D500-R560 WeakPolarHBondContact OD1-CD 3.44Å; D500-R560 IonicContact OD1-NE 2.9Å; D500-L563 HydrophobicContact CB-CD1 3.98Å
501	I	96.7	Very high	77.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.8	-176.3	-50.4	-175.2	0	0	0	110	T455 I456 F457 V557 F558 V559 F593 L595 L600 F602	T455-I501 PolarHBondContact O-N 3.11Å; T455-I501 VanDerWaalsContact O-N 3.13Å; I456-I501 WeakPolarHBondContact CA-O 3.4Å; I456-I501 HydrophobicContact CB-CB 4.46Å; I456-I501 HydrophobicContact CD1-CD1 4.07Å; I456-I501 HydrophobicContact CG1-CB 4.13Å; I456-I501 HydrophobicContact CG1-CD1 4.23Å; I456-I501 HydrophobicContact CG1-CG1 4.38Å; I456-I501 HydrophobicContact CG2-CB 4.18Å; I456-I501 HydrophobicContact CG2-CG2 4.3Å; F457-I501 PolarHBondContact N-O 3.48Å; I501-V557 HydrophobicContact CG2-CG1 4.08Å; I501-F558 CarbonylContact C-O 3.52Å; I501-F558 WeakPolarHBondContact CA-O 3.36Å; I501-V559 HydrophobicContact CB-CG1 4.46Å; I501-V559 HydrophobicContact CD1-CG1 4.45Å; I501-V559 HydrophobicContact CG1-CG1 4.04Å; I501-V559 HydrophobicContact CG2-CG1 4.13Å; I501-F593 HydrophobicContact CD1-CZ 4.28Å; I501-L595 HydrophobicContact CD1-CD2 3.92Å; I501-L600 HydrophobicContact CD1-CD1 3.79Å; I501-F602 HydrophobicContact CG2-CZ 4.14Å
502	Y	97.1	Very high	78.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.1	168.6	-77.1	-100.9	0	0	0	110.2	F457 L484 F496 Y499 L536 Y542 V557 F558	F457-Y502 HydrophobicContact CB-CD1 3.78Å; F457-Y502 HydrophobicContact CB-CE1 3.93Å; F457-Y502 HydrophobicContact CB-CG 4.3Å; F457-Y502 AromaticContact CD1-CD1 3.47Å; F457-Y502 HydrophobicContact CD1-CD1 3.47Å; F457-Y502 VanDerWaalsContact CD1-CD1 3.47Å; F457-Y502 AromaticContact CD1-CE1 3.92Å; F457-Y502 HydrophobicContact CD1-CE1 3.92Å; F457-Y502 HydrophobicContact CD1-CG 4.44Å; F457-Y502 HydrophobicContact CD2-CE1 4.44Å; F457-Y502 HydrophobicContact CE1-CD1 4.23Å; F457-Y502 AromaticContact CG-CD1 3.77Å; F457-Y502 HydrophobicContact CG-CD1 3.77Å; F457-Y502 AromaticContact CG-CE1 3.85Å; F457-Y502 HydrophobicContact CG-CE1 3.85Å; F457-Y502 CarbonylContact O-C 3.56Å; F457-Y502 WeakPolarHBondContact O-CA 3.25Å; L484-Y502 HydrophobicContact CB-CE1 4.29Å; L484-Y502 VanDerWaalsContact O-CE1 3.23Å; L484-Y502 WeakPolarHBondContact O-CE1 3.39Å; L484-Y502 PolarHBondContact O-OH 3.35Å; L484-Y502 VanDerWaalsContact O-OH 3.05Å; F496-Y502 WeakPolarHBondContact CZ-OH 3.5Å; Y499-Y502 AromaticContact CD2-CE1 3.77Å; Y499-Y502 HydrophobicContact CD2-CE1 3.77Å; Y499-Y502 AromaticContact CD2-CE2 3.91Å; Y499-Y502 HydrophobicContact CD2-CE2 3.91Å; Y499-Y502 AromaticContact CD2-CZ 3.37Å; Y499-Y502 WeakPolarHBondContact CD2-OH 3.25Å; Y499-Y502 HydrophobicContact CE2-CE1 4.35Å; Y499-Y502 HydrophobicContact CG-CE2 4.34Å; Y502-L536 HydrophobicContact CD1-CD1 4.47Å; Y502-L536 HydrophobicContact CD1-CD2 3.67Å; Y502-L536 HydrophobicContact CD2-CD1 4.37Å; Y502-L536 HydrophobicContact CD2-CD2 4.02Å; Y502-L536 HydrophobicContact CE1-CD2 3.41Å; Y502-L536 VanDerWaalsContact CE1-CD2 3.41Å; Y502-L536 HydrophobicContact CE2-CD2 3.8Å; Y502-L536 HydrophobicContact CG-CD1 4.14Å; Y502-L536 HydrophobicContact CG-CD2 3.95Å; Y502-L536 VanDerWaalsContact CZ-CD2 3.43Å; Y502-Y542 AromaticContact CD2-CD1 3.99Å; Y502-Y542 HydrophobicContact CD2-CD1 3.99Å; Y502-Y542 AromaticContact CD2-CE1 3.49Å; Y502-Y542 HydrophobicContact CD2-CE1 3.49Å; Y502-Y542 VanDerWaalsContact CD2-CE1 3.49Å; Y502-Y542 AromaticContact CD2-CZ 3.9Å; Y502-Y542 HydrophobicContact CE2-CD1 4.34Å; Y502-Y542 AromaticContact CE2-CE1 3.51Å; Y502-Y542 HydrophobicContact CE2-CE1 3.51Å; Y502-Y542 HydrophobicContact CE2-CE2 4.15Å; Y502-Y542 AromaticContact CE2-CZ 3.4Å; Y502-Y542 VanDerWaalsContact CE2-CZ 3.4Å; Y502-Y542 VanDerWaalsContact CE2-OH 3.31Å; Y502-Y542 WeakPolarHBondContact CE2-OH 3.4Å; Y502-V557 CarbonylContact O-C 3.52Å; Y502-V557 VanDerWaalsContact O-CA 3.27Å; Y502-V557 WeakPolarHBondContact O-CA 3.19Å; Y502-F558 PolarHBondContact N-O 2.78Å; Y502-F558 PolarHBondContact O-N 3.32Å
503	A	98.2	Very high	79.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.7	167.9	0	0	0	0	0	109.2	F457 C458 G459 F556 V557 F602 F645	F457-A503 PolarHBondContact O-N 3.1Å; C458-A503 CarbonylContact C-O 3.53Å; C458-A503 VanDerWaalsContact CA-O 3.29Å; C458-A503 WeakPolarHBondContact CA-O 3.24Å; G459-A503 PolarHBondContact N-O 2.92Å; A503-F556 CarbonylContact C-O 3.5Å; A503-F556 WeakPolarHBondContact CA-O 3.39Å; A503-V557 HydrophobicContact CB-CG2 4.18Å; A503-F602 HydrophobicContact CB-CB 4.29Å; A503-F602 HydrophobicContact CB-CD1 3.27Å; A503-F602 HydrophobicContact CB-CE1 3.68Å; A503-F602 HydrophobicContact CB-CG 3.83Å; A503-F645 HydrophobicContact CB-CE1 4.17Å; A503-F645 HydrophobicContact CB-CZ 3.82Å
504	I	97.7	Very high	79.1	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.1	-173.6	-54.8	173.1	0	0	0	109.4	F457 G459 W483 L484 L506 F532 L555 F556 F558	F457-I504 HydrophobicContact CE1-CG1 4.5Å; G459-I504 CarbonylContact O-C 3.54Å; G459-I504 WeakPolarHBondContact O-CA 3.48Å; W483-I504 HydrophobicContact CH2-CG2 3.65Å; W483-I504 HydrophobicContact CZ2-CG2 4.45Å; W483-I504 HydrophobicContact CZ3-CG2 4.12Å; L484-I504 HydrophobicContact CD1-CD1 4.33Å; L484-I504 HydrophobicContact CD2-CD1 3.65Å; L484-I504 HydrophobicContact CD2-CG1 4.26Å; I504-L506 HydrophobicContact CG2-CD2 4.43Å; I504-F532 HydrophobicContact CB-CE2 4.45Å; I504-F532 HydrophobicContact CD1-CB 4.46Å; I504-F532 HydrophobicContact CD1-CD1 3.98Å; I504-F532 HydrophobicContact CD1-CD2 4.19Å; I504-F532 HydrophobicContact CD1-CE1 4.22Å; I504-F532 HydrophobicContact CD1-CE2 4.43Å; I504-F532 HydrophobicContact CD1-CG 3.96Å; I504-F532 HydrophobicContact CD1-CZ 4.44Å; I504-F532 HydrophobicContact CG2-CE1 4.14Å; I504-F532 HydrophobicContact CG2-CE2 3.91Å; I504-F532 HydrophobicContact CG2-CZ 3.61Å; I504-L555 WeakPolarHBondContact O-CA 3.23Å; I504-F556 PolarHBondContact N-O 2.89Å; I504-F556 PolarHBondContact O-N 2.76Å; I504-F558 HydrophobicContact CD1-CD2 4.43Å; I504-F558 HydrophobicContact CD1-CE2 4.12Å
505	G	97.1	Very high	79.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.3	178.4	0	0	0	0	0	111.6	G459 T460 W461 C554 C604	G459-G505 PolarHBondContact O-N 2.94Å; T460-G505 CarbonylContact C-O 3.26Å; T460-G505 VanDerWaalsContact CA-O 3.28Å; T460-G505 WeakPolarHBondContact CA-O 3.23Å; W461-G505 PolarHBondContact N-O 3.01Å; G505-C554 CarbonylContact C-O 3.1Å; G505-C554 WeakPolarHBondContact CA-O 3.16Å; G505-C604 VanDerWaalsContact CA-SG 3.52Å
506	L	95	Very high	79.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.6	173.1	-57.8	-177.6	0	0	0	110.3	W461 V463 W483 I504 M509 W528 F532 I553 C554 F556	W461-L506 HydrophobicContact CB-CD2 4.01Å; W461-L506 VanDerWaalsContact O-CA 3.29Å; W461-L506 WeakPolarHBondContact O-CA 3.45Å; V463-L506 HydrophobicContact CG1-CD2 3.98Å; W483-L506 HydrophobicContact CH2-CD2 4.29Å; I504-L506 HydrophobicContact CG2-CD2 4.43Å; L506-M509 HydrophobicContact CD1-SD 4.44Å; L506-W528 HydrophobicContact CD1-CB 4.31Å; L506-W528 HydrophobicContact CD1-CD2 3.52Å; L506-W528 HydrophobicContact CD1-CE3 3.94Å; L506-W528 HydrophobicContact CD1-CG 3.69Å; L506-W528 HydrophobicContact CD1-CZ2 4.29Å; L506-W528 HydrophobicContact CD1-CZ3 4.47Å; L506-F532 HydrophobicContact CD1-CE2 4.2Å; L506-F532 HydrophobicContact CD1-CZ 4Å; L506-F532 HydrophobicContact CD2-CZ 4.21Å; L506-F532 HydrophobicContact CG-CZ 4.34Å; L506-I553 CarbonylContact O-C 3.51Å; L506-I553 VanDerWaalsContact O-CA 3.29Å; L506-I553 WeakPolarHBondContact O-CA 3.34Å; L506-C554 PolarHBondContact N-O 3.5Å; L506-C554 PolarHBondContact O-N 2.73Å; L506-F556 HydrophobicContact CD1-CE2 4.11Å; L506-F556 HydrophobicContact CG-CE2 4.43Å
507	Q	93.7	Very high	78.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.9	169.2	-53.4	79.4	33.9	0	0	109.8	T460 W461 N462 V463 M509 G552 C604 H606 D647	T460-Q507 PolarHBondContact OG1-NE2 3.42Å; T460-Q507 PolarHBondContact OG1-OE1 2.87Å; W461-Q507 PolarHBondContact O-N 2.99Å; W461-Q507 PolarHBondContact O-OE1 3.05Å; N462-Q507 WeakPolarHBondContact CA-O 3.3Å; N462-Q507 HydrophobicContact CB-CB 4.15Å; N462-Q507 VanDerWaalsContact N-OE1 3.12Å; V463-Q507 WeakPolarHBondContact CG2-O 3.06Å; V463-Q507 PolarHBondContact N-O 3.14Å; Q507-M509 PolarHBondContact O-N 2.93Å; Q507-G552 CarbonylContact C-O 3.55Å; Q507-G552 WeakPolarHBondContact CA-O 3.47Å; Q507-C604 PolarHBondContact NE2-SG 3.38Å; Q507-H606 HydrophobicContact CB-CB 4.34Å; Q507-H606 HydrophobicContact CG-CB 3.91Å; Q507-D647 HydrophobicContact CB-CB 4.43Å; Q507-D647 HydrophobicContact CG-CB 4.01Å
508	E	89.1	Confident	77.5	Confident	50 Å²	50	37 Å²	37	23%	0.234	22%	0.215	C	C	.	.			trans	53.8	35.4	-176.3	-51.9	-164.5	-173.8	0	0	114.5	N462 G465 V510 G552 H606	N462-E508 PolarHBondContact ND2-OE1 2.91Å; N462-E508 WeakPolarHBondContact OD1-CB 3.32Å; N462-E508 WeakPolarHBondContact OD1-CG 3.45Å; G465-E508 CarbonylContact C-O 3.38Å; G465-E508 WeakPolarHBondContact CA-O 3.5Å; G465-E508 PolarHBondContact N-O 2.93Å; E508-V510 PolarHBondContact O-N 3.15Å; E508-G552 PolarHBondContact N-O 3.15Å; E508-H606 IonicContact OE1-CE1 3.99Å; E508-H606 PolarHBondContact OE1-CE1 3.24Å; E508-H606 VanDerWaalsContact OE1-CE1 3.31Å; E508-H606 IonicContact OE1-NE2 2.63Å
509	M	81.4	Confident	75.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.			trans	-61.6	-12.6	177	-169.5	-177.6	60.4	0	0	114.3	V463 L506 Q507 N524 Q525 W528 Q549 G552 C554	V463-M509 HydrophobicContact CG2-CB 4.29Å; L506-M509 HydrophobicContact CD1-SD 4.44Å; Q507-M509 PolarHBondContact O-N 2.93Å; M509-N524 HydrophobicContact CE-CB 4.44Å; M509-N524 HydrophobicContact CG-CB 4.33Å; M509-N524 PolarHBondContact O-ND2 2.82Å; M509-N524 VanDerWaalsContact O-ND2 3.17Å; M509-N524 HydrophobicContact SD-CB 4.47Å; M509-Q525 HydrophobicContact CE-CB 4.12Å; M509-Q525 HydrophobicContact SD-CB 4.39Å; M509-W528 HydrophobicContact SD-CG 4.44Å; M509-Q549 HydrophobicContact CE-CG 3.96Å; M509-G552 WeakPolarHBondContact CB-O 3.44Å; M509-G552 PolarHBondContact N-O 2.79Å; M509-C554 HydrophobicContact CE-CB 3.82Å; M509-C554 HydrophobicContact SD-CB 3.81Å
510	V	71.7	Confident	73.9	Confident	6 Å²	6	40.4 Å²	40.4	4%	0.036	24%	0.243	C	C	.	.	S	Bend	trans	-138.8	133.4	-177.6	-167.6	0	0	0	0	108.8	E508 L512 N516	E508-V510 PolarHBondContact O-N 3.15Å; V510-L512 PolarHBondContact O-N 2.96Å; V510-N516 HydrophobicContact CG1-CB 3.61Å
511	D	62.9	Low	71.8	Confident	86 Å²	86	40.7 Å²	40.7	46%	0.46	25%	0.248	S	C	.	.			trans	-56	124.5	168.9	-80.8	-27.2	0	0	0	110.9	G465 N513 N516	G465-D511 WeakPolarHBondContact CA-OD1 3.23Å; D511-N513 VanDerWaalsContact C-N 3.26Å; D511-N513 PolarHBondContact O-N 3.27Å; D511-N516 WeakPolarHBondContact O-CB 3.32Å; D511-N516 PolarHBondContact O-ND2 3.26Å
512	L	58.3	Low	70.1	Confident	81 Å²	81	45.7 Å²	45.7	42%	0.424	27%	0.274	S	S	.	.			trans	-78.2	73.3	-177.3	-65.8	167.8	0	0	0	111	V510 V517 V551 N585	V510-L512 PolarHBondContact O-N 2.96Å; L512-V517 HydrophobicContact CD2-CG2 3.87Å; L512-V551 HydrophobicContact CD2-CG1 3.66Å; L512-N585 HydrophobicContact CD1-CB 3.78Å; L512-N585 WeakPolarHBondContact CD1-ND2 3.03Å; L512-N585 HydrophobicContact CD2-CB 3.62Å; L512-N585 HydrophobicContact CG-CB 4.38Å
513	N	58.6	Low	68.5	Low	77 Å²	77	48.8 Å²	48.8	41%	0.412	29%	0.293	S	S	.	.			trans	-103	156.5	160.2	68.5	44.3	0	0	0	110	D511 S515 N516 V517	D511-N513 VanDerWaalsContact C-N 3.26Å; D511-N513 PolarHBondContact O-N 3.27Å; N513-S515 PolarHBondContact O-N 3.04Å; N513-S515 VanDerWaalsContact O-N 3.11Å; N513-S515 WeakPolarHBondContact OD1-CB 3.2Å; N513-S515 PolarHBondContact OD1-N 3.43Å; N513-N516 PolarHBondContact ND2-ND2 3.38Å; N513-N516 VanDerWaalsContact ND2-ND2 3.2Å; N513-N516 PolarHBondContact O-N 2.92Å; N513-N516 VanDerWaalsContact OD1-CB 3.26Å; N513-N516 WeakPolarHBondContact OD1-CB 3.23Å; N513-N516 PolarHBondContact OD1-N 3.31Å; N513-N516 PolarHBondContact OD1-ND2 3.44Å; N513-V517 WeakPolarHBondContact O-CG2 3.44Å; N513-V517 PolarHBondContact O-N 2.73Å
514	A	51.7	Low	67.2	Low	80 Å²	80	50.6 Å²	50.6	66%	0.661	30%	0.303	S	S	*	.	H	α-helix	trans	-55.7	-33.6	-174.3	0	0	0	0	0	113.2	L518	A514-L518 WeakPolarHBondContact O-CD1 3.09Å; A514-L518 WeakPolarHBondContact O-CG 3.36Å; A514-L518 PolarHBondContact O-N 3.04Å
515	S	51.3	Low	66.1	Low	81 Å²	81	51.5 Å²	51.5	57%	0.566	31%	0.307	S	S	*	.	H	α-helix	trans	-63.7	-51	175	-174.5	0	0	0	0	111.2	N513 V517 L518 S519	N513-S515 PolarHBondContact O-N 3.04Å; N513-S515 VanDerWaalsContact O-N 3.11Å; N513-S515 WeakPolarHBondContact OD1-CB 3.2Å; N513-S515 PolarHBondContact OD1-N 3.43Å; S515-V517 PolarHBondContact O-N 3.06Å; S515-L518 PolarHBondContact O-N 3.16Å; S515-S519 WeakPolarHBondContact O-CB 3.5Å; S515-S519 PolarHBondContact O-N 2.66Å; S515-S519 PolarHBondContact O-OG 3.4Å
516	N	57.9	Low	65.1	Low	42 Å²	42	52.7 Å²	52.7	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-32.1	-177.1	-76.9	-7.2	0	0	0	113.6	V510 D511 N513 A520	V510-N516 HydrophobicContact CG1-CB 3.61Å; D511-N516 WeakPolarHBondContact O-CB 3.32Å; D511-N516 PolarHBondContact O-ND2 3.26Å; N513-N516 PolarHBondContact ND2-ND2 3.38Å; N513-N516 VanDerWaalsContact ND2-ND2 3.2Å; N513-N516 PolarHBondContact O-N 2.92Å; N513-N516 VanDerWaalsContact OD1-CB 3.26Å; N513-N516 WeakPolarHBondContact OD1-CB 3.23Å; N513-N516 PolarHBondContact OD1-N 3.31Å; N513-N516 PolarHBondContact OD1-ND2 3.44Å; N516-A520 VanDerWaalsContact O-CA 3.31Å; N516-A520 WeakPolarHBondContact O-CA 3.43Å; N516-A520 PolarHBondContact O-N 2.94Å
517	V	52.2	Low	64.3	Low	62 Å²	62	56.3 Å²	56.3	38%	0.376	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-37.7	174.8	175.5	0	0	0	0	111.2	L512 N513 S515 V551	L512-V517 HydrophobicContact CD2-CG2 3.87Å; N513-V517 WeakPolarHBondContact O-CG2 3.44Å; N513-V517 PolarHBondContact O-N 2.73Å; S515-V517 PolarHBondContact O-N 3.06Å; V517-V551 HydrophobicContact CG1-CG1 4.37Å; V517-V551 HydrophobicContact CG2-CG1 4.11Å
518	L	46.2	Very low	63.9	Low	150 Å²	150	56.5 Å²	56.5	79%	0.785	33%	0.33	S	S	*	.	H	α-helix	trans	-77.5	-30.9	177.4	-73.2	168.4	0	0	0	112.7	A514 S515	A514-L518 WeakPolarHBondContact O-CD1 3.09Å; A514-L518 WeakPolarHBondContact O-CG 3.36Å; A514-L518 PolarHBondContact O-N 3.04Å; S515-L518 PolarHBondContact O-N 3.16Å
519	S	48.6	Very low	63.6	Low	69 Å²	69	56.8 Å²	56.8	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-107	5.1	-173.1	75.7	0	0	0	0	115	S515 S521	S515-S519 WeakPolarHBondContact O-CB 3.5Å; S515-S519 PolarHBondContact O-N 2.66Å; S515-S519 PolarHBondContact O-OG 3.4Å; S519-S521 VanDerWaalsContact C-N 3.3Å; S519-S521 WeakPolarHBondContact O-CA 3.42Å; S519-S521 PolarHBondContact O-N 2.81Å
520	A	51.6	Low	63.6	Low	34 Å²	34	60.2 Å²	60.2	28%	0.281	35%	0.345	S	S	.	.			trans	-3.1	82.5	-175.2	0	0	0	0	0	111.9	N516 L522	N516-A520 VanDerWaalsContact O-CA 3.31Å; N516-A520 WeakPolarHBondContact O-CA 3.43Å; N516-A520 PolarHBondContact O-N 2.94Å; A520-L522 PolarHBondContact O-N 3.46Å
521	S	51.5	Low	64.2	Low	37 Å²	37	61.1 Å²	61.1	26%	0.259	35%	0.354	S	S	.	.			trans	-63.6	116.1	-159.6	178.5	0	0	0	0	109.9	S519 T523 N524	S519-S521 VanDerWaalsContact C-N 3.3Å; S519-S521 WeakPolarHBondContact O-CA 3.42Å; S519-S521 PolarHBondContact O-N 2.81Å; S521-T523 PolarHBondContact O-N 3.21Å; S521-T523 WeakPolarHBondContact OG-CB 3.44Å; S521-T523 PolarHBondContact OG-N 2.96Å; S521-T523 PolarHBondContact OG-OG1 3.35Å; S521-N524 PolarHBondContact O-N 3.16Å
522	L	60.6	Low	65.4	Low	104 Å²	104	57 Å²	57	55%	0.545	33%	0.332	S	S	.	.	H	α-helix	trans	-55.4	-17	174.1	-66	169.4	0	0	0	112.3	A520 Q525 N526	A520-L522 PolarHBondContact O-N 3.46Å; L522-Q525 WeakPolarHBondContact O-CG 3.39Å; L522-N526 PolarHBondContact O-N 3.41Å; L522-N526 PolarHBondContact O-ND2 2.77Å
523	T	63.3	Low	66.7	Low	65 Å²	65	55 Å²	55	40%	0.399	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-41.9	178.8	-50.4	0	0	0	0	112.4	S521 N526 H527	S521-T523 PolarHBondContact O-N 3.21Å; S521-T523 WeakPolarHBondContact OG-CB 3.44Å; S521-T523 PolarHBondContact OG-N 2.96Å; S521-T523 PolarHBondContact OG-OG1 3.35Å; T523-N526 PolarHBondContact O-N 2.77Å; T523-H527 VanDerWaalsContact CG2-CE1 3.41Å; T523-H527 WeakPolarHBondContact CG2-CE1 3.49Å; T523-H527 PolarHBondContact O-N 2.82Å; T523-H527 PolarHBondContact O-ND1 2.85Å
524	N	71	Confident	67.9	Low	39 Å²	39	59.5 Å²	59.5	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-44.5	-175.1	-74.3	9.7	0	0	0	111.9	M509 S521 N526 H527 W528	M509-N524 HydrophobicContact CE-CB 4.44Å; M509-N524 HydrophobicContact CG-CB 4.33Å; M509-N524 PolarHBondContact O-ND2 2.82Å; M509-N524 VanDerWaalsContact O-ND2 3.17Å; M509-N524 HydrophobicContact SD-CB 4.47Å; S521-N524 PolarHBondContact O-N 3.16Å; N524-N526 VanDerWaalsContact C-N 3.26Å; N524-N526 PolarHBondContact O-N 3.25Å; N524-H527 PolarHBondContact O-N 3.01Å; N524-W528 VanDerWaalsContact O-CD1 3.28Å; N524-W528 PolarHBondContact O-N 2.94Å; N524-W528 VanDerWaalsContact O-N 3.11Å
525	Q	75.4	Confident	69.6	Low	18 Å²	18	57 Å²	57	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-34.2	176.8	56.5	168.2	42.7	0	0	112.4	M509 L522 W528 R529 L547 F556	M509-Q525 HydrophobicContact CE-CB 4.12Å; M509-Q525 HydrophobicContact SD-CB 4.39Å; L522-Q525 WeakPolarHBondContact O-CG 3.39Å; Q525-W528 PolarHBondContact O-N 2.85Å; Q525-R529 VanDerWaalsContact O-CB 3.31Å; Q525-R529 WeakPolarHBondContact O-CB 3.3Å; Q525-R529 PolarHBondContact O-N 3.27Å; Q525-L547 VanDerWaalsContact OE1-CD1 3.28Å; Q525-F556 HydrophobicContact CB-CZ 4.34Å
526	N	75.2	Confident	71.3	Confident	26 Å²	26	53.1 Å²	53.1	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-71.2	-42	179.9	-76.9	-21.9	0	0	0	111.6	L522 T523 N524 W528 R529 E530	L522-N526 PolarHBondContact O-N 3.41Å; L522-N526 PolarHBondContact O-ND2 2.77Å; T523-N526 PolarHBondContact O-N 2.77Å; N524-N526 VanDerWaalsContact C-N 3.26Å; N524-N526 PolarHBondContact O-N 3.25Å; N526-W528 VanDerWaalsContact C-N 3.32Å; N526-W528 PolarHBondContact O-N 3.13Å; N526-R529 WeakPolarHBondContact O-CB 3.41Å; N526-R529 PolarHBondContact O-N 3.19Å; N526-E530 WeakPolarHBondContact O-CG 3.41Å; N526-E530 PolarHBondContact O-N 3.1Å
527	H	77.6	Confident	72.5	Confident	76 Å²	76	53.2 Å²	53.2	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-41.6	174	-64.6	144	0	0	0	111.8	T469 T523 N524 E530 A531	T469-H527 HydrophobicContact CG2-CB 3.61Å; T523-H527 VanDerWaalsContact CG2-CE1 3.41Å; T523-H527 WeakPolarHBondContact CG2-CE1 3.49Å; T523-H527 PolarHBondContact O-N 2.82Å; T523-H527 PolarHBondContact O-ND1 2.85Å; N524-H527 PolarHBondContact O-N 3.01Å; H527-E530 PolarHBondContact O-N 2.82Å; H527-A531 WeakPolarHBondContact O-CB 3.41Å; H527-A531 PolarHBondContact O-N 2.79Å
528	W	85	Confident	73.7	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.011	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-46.4	174.5	-84.2	112.8	0	0	0	112.4	W461 V463 L468 L480 L506 M509 N524 Q525 N526 E530 A531 F532 F556	W461-W528 HydrophobicContact CE3-CH2 4.12Å; W461-W528 HydrophobicContact CH2-CH2 4.5Å; W461-W528 AromaticContact CZ3-CH2 3.64Å; W461-W528 HydrophobicContact CZ3-CH2 3.64Å; W461-W528 HydrophobicContact CZ3-CZ3 4.23Å; V463-W528 HydrophobicContact CB-CZ2 4.33Å; V463-W528 HydrophobicContact CG1-CH2 4.14Å; V463-W528 HydrophobicContact CG1-CZ2 3.88Å; V463-W528 HydrophobicContact CG2-CZ2 4.49Å; L468-W528 HydrophobicContact CB-CH2 3.86Å; L468-W528 HydrophobicContact CB-CZ2 3.61Å; L468-W528 HydrophobicContact CD1-CH2 3.72Å; L468-W528 HydrophobicContact CD1-CZ2 3.63Å; L468-W528 HydrophobicContact CD2-CH2 4.05Å; L468-W528 HydrophobicContact CG-CH2 4.05Å; L468-W528 HydrophobicContact CG-CZ2 4.08Å; L480-W528 HydrophobicContact CD2-CZ3 4.32Å; L506-W528 HydrophobicContact CD1-CB 4.31Å; L506-W528 HydrophobicContact CD1-CD2 3.52Å; L506-W528 HydrophobicContact CD1-CE3 3.94Å; L506-W528 HydrophobicContact CD1-CG 3.69Å; L506-W528 HydrophobicContact CD1-CZ2 4.29Å; L506-W528 HydrophobicContact CD1-CZ3 4.47Å; M509-W528 HydrophobicContact SD-CG 4.44Å; N524-W528 VanDerWaalsContact O-CD1 3.28Å; N524-W528 PolarHBondContact O-N 2.94Å; N524-W528 VanDerWaalsContact O-N 3.11Å; Q525-W528 PolarHBondContact O-N 2.85Å; N526-W528 VanDerWaalsContact C-N 3.32Å; N526-W528 PolarHBondContact O-N 3.13Å; W528-E530 VanDerWaalsContact C-N 3.3Å; W528-E530 PolarHBondContact O-N 2.98Å; W528-A531 PolarHBondContact O-N 2.9Å; W528-F532 HydrophobicContact CB-CE2 4.12Å; W528-F532 HydrophobicContact CD2-CZ 4.31Å; W528-F532 AromaticContact CE3-CE1 3.75Å; W528-F532 HydrophobicContact CE3-CE1 3.75Å; W528-F532 HydrophobicContact CE3-CE2 4Å; W528-F532 AromaticContact CE3-CZ 3.43Å; W528-F532 HydrophobicContact CE3-CZ 3.43Å; W528-F532 VanDerWaalsContact CE3-CZ 3.43Å; W528-F532 AromaticContact CZ3-CE1 3.93Å; W528-F532 HydrophobicContact CZ3-CE1 3.93Å; W528-F532 AromaticContact CZ3-CZ 3.91Å; W528-F532 HydrophobicContact CZ3-CZ 3.91Å; W528-F532 WeakPolarHBondContact O-CD2 3.2Å; W528-F532 VanDerWaalsContact O-CG 3.29Å; W528-F532 WeakPolarHBondContact O-CG 3.44Å; W528-F532 PolarHBondContact O-N 2.77Å; W528-F556 HydrophobicContact CB-CE2 4.46Å; W528-F556 HydrophobicContact CB-CZ 3.93Å
529	R	83.4	Confident	74.8	Confident	57 Å²	57	48.8 Å²	48.8	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-54	-47	174.2	-179	-171	69.9	176.9	2.1	111.5	Q525 N526 F532 L533 L544 F556	Q525-R529 VanDerWaalsContact O-CB 3.31Å; Q525-R529 WeakPolarHBondContact O-CB 3.3Å; Q525-R529 PolarHBondContact O-N 3.27Å; N526-R529 WeakPolarHBondContact O-CB 3.41Å; N526-R529 PolarHBondContact O-N 3.19Å; R529-F532 PolarHBondContact O-N 3.21Å; R529-L533 HydrophobicContact CG-CD1 3.98Å; R529-L533 WeakPolarHBondContact O-CB 3.49Å; R529-L533 VanDerWaalsContact O-CG 3.32Å; R529-L533 WeakPolarHBondContact O-CG 3.41Å; R529-L533 PolarHBondContact O-N 2.89Å; R529-L544 HydrophobicContact CG-CD2 4.34Å; R529-F556 HydrophobicContact CB-CE1 4.08Å
530	E	80.9	Confident	76	Confident	71 Å²	71	46.4 Å²	46.4	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-41.8	178.8	-74.5	171.1	-168.7	0	0	112.2	N526 H527 W528 L533 K534	N526-E530 WeakPolarHBondContact O-CG 3.41Å; N526-E530 PolarHBondContact O-N 3.1Å; H527-E530 PolarHBondContact O-N 2.82Å; W528-E530 VanDerWaalsContact C-N 3.3Å; W528-E530 PolarHBondContact O-N 2.98Å; E530-L533 PolarHBondContact O-N 3.43Å; E530-K534 VanDerWaalsContact O-CB 3.24Å; E530-K534 WeakPolarHBondContact O-CB 3.42Å; E530-K534 PolarHBondContact O-N 3.17Å
531	A	84.8	Confident	77.5	Confident	26 Å²	26	46.2 Å²	46.2	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-45.4	176	0	0	0	0	0	111.8	L480 H527 W528 K534 V535	L480-A531 HydrophobicContact CD1-CB 4.03Å; H527-A531 WeakPolarHBondContact O-CB 3.41Å; H527-A531 PolarHBondContact O-N 2.79Å; W528-A531 PolarHBondContact O-N 2.9Å; A531-K534 PolarHBondContact O-N 3.23Å; A531-V535 WeakPolarHBondContact O-CG2 3.48Å; A531-V535 PolarHBondContact O-N 2.9Å
532	F	89.2	Confident	79.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-52.3	175.3	-64	-37.4	0	0	0	111.4	L480 W483 L484 I504 L506 W528 R529 K534 V535 L536 F556 F558	L480-F532 HydrophobicContact CD1-CD1 4.44Å; W483-F532 HydrophobicContact CZ3-CE1 4.23Å; L484-F532 HydrophobicContact CD1-CD1 3.82Å; L484-F532 HydrophobicContact CD1-CE1 4.39Å; I504-F532 HydrophobicContact CB-CE2 4.45Å; I504-F532 HydrophobicContact CD1-CB 4.46Å; I504-F532 HydrophobicContact CD1-CD1 3.98Å; I504-F532 HydrophobicContact CD1-CD2 4.19Å; I504-F532 HydrophobicContact CD1-CE1 4.22Å; I504-F532 HydrophobicContact CD1-CE2 4.43Å; I504-F532 HydrophobicContact CD1-CG 3.96Å; I504-F532 HydrophobicContact CD1-CZ 4.44Å; I504-F532 HydrophobicContact CG2-CE1 4.14Å; I504-F532 HydrophobicContact CG2-CE2 3.91Å; I504-F532 HydrophobicContact CG2-CZ 3.61Å; L506-F532 HydrophobicContact CD1-CE2 4.2Å; L506-F532 HydrophobicContact CD1-CZ 4Å; L506-F532 HydrophobicContact CD2-CZ 4.21Å; L506-F532 HydrophobicContact CG-CZ 4.34Å; W528-F532 HydrophobicContact CB-CE2 4.12Å; W528-F532 HydrophobicContact CD2-CZ 4.31Å; W528-F532 AromaticContact CE3-CE1 3.75Å; W528-F532 HydrophobicContact CE3-CE1 3.75Å; W528-F532 HydrophobicContact CE3-CE2 4Å; W528-F532 AromaticContact CE3-CZ 3.43Å; W528-F532 HydrophobicContact CE3-CZ 3.43Å; W528-F532 VanDerWaalsContact CE3-CZ 3.43Å; W528-F532 AromaticContact CZ3-CE1 3.93Å; W528-F532 HydrophobicContact CZ3-CE1 3.93Å; W528-F532 AromaticContact CZ3-CZ 3.91Å; W528-F532 HydrophobicContact CZ3-CZ 3.91Å; W528-F532 WeakPolarHBondContact O-CD2 3.2Å; W528-F532 VanDerWaalsContact O-CG 3.29Å; W528-F532 WeakPolarHBondContact O-CG 3.44Å; W528-F532 PolarHBondContact O-N 2.77Å; R529-F532 PolarHBondContact O-N 3.21Å; F532-K534 VanDerWaalsContact C-N 3.26Å; F532-K534 PolarHBondContact O-N 3.32Å; F532-V535 PolarHBondContact O-N 2.97Å; F532-V535 VanDerWaalsContact O-N 3.08Å; F532-L536 WeakPolarHBondContact O-CB 3.5Å; F532-L536 VanDerWaalsContact O-CG 3.26Å; F532-L536 WeakPolarHBondContact O-CG 3.43Å; F532-L536 PolarHBondContact O-N 3.33Å; F532-F556 HydrophobicContact CD2-CD2 4.28Å; F532-F556 HydrophobicContact CD2-CG 4.33Å; F532-F556 AromaticContact CE2-CD2 3.8Å; F532-F556 HydrophobicContact CE2-CD2 3.8Å; F532-F556 AromaticContact CE2-CE2 3.86Å; F532-F556 HydrophobicContact CE2-CE2 3.86Å; F532-F556 HydrophobicContact CE2-CG 4.3Å; F532-F556 HydrophobicContact CE2-CZ 4.39Å; F532-F558 HydrophobicContact CB-CE2 4.08Å; F532-F558 HydrophobicContact CB-CZ 3.86Å; F532-F558 HydrophobicContact CD2-CE2 4.23Å; F532-F558 HydrophobicContact CD2-CZ 4.23Å; F532-F558 HydrophobicContact CG-CE2 4.48Å
533	L	84.6	Confident	80.4	Confident	38 Å²	38	40.2 Å²	40.2	20%	0.199	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-39.7	178.5	-75.4	173.5	0	0	0	111.6	R529 E530 V535 N537 F558	R529-L533 HydrophobicContact CG-CD1 3.98Å; R529-L533 WeakPolarHBondContact O-CB 3.49Å; R529-L533 VanDerWaalsContact O-CG 3.32Å; R529-L533 WeakPolarHBondContact O-CG 3.41Å; R529-L533 PolarHBondContact O-N 2.89Å; E530-L533 PolarHBondContact O-N 3.43Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 2.83Å; L533-N537 WeakPolarHBondContact O-CA 3.45Å; L533-N537 WeakPolarHBondContact O-CB 3.29Å; L533-N537 PolarHBondContact O-N 3.3Å; L533-N537 PolarHBondContact O-ND2 3.47Å; L533-F558 HydrophobicContact CD1-CE1 4.5Å; L533-F558 HydrophobicContact CD2-CD1 3.65Å; L533-F558 HydrophobicContact CD2-CE1 3.58Å; L533-F558 HydrophobicContact CG-CD1 4.34Å; L533-F558 HydrophobicContact CG-CE1 3.74Å
534	K	84.4	Confident	81.6	Confident	172 Å²	172	37.7 Å²	37.7	75%	0.748	21%	0.214	S	C	*	.	H	α-helix	trans	-59.4	-41.5	177.1	-177.2	-179.8	178.7	-177.2	0	112.4	E530 A531 F532 G538	E530-K534 VanDerWaalsContact O-CB 3.24Å; E530-K534 WeakPolarHBondContact O-CB 3.42Å; E530-K534 PolarHBondContact O-N 3.17Å; A531-K534 PolarHBondContact O-N 3.23Å; F532-K534 VanDerWaalsContact C-N 3.26Å; F532-K534 PolarHBondContact O-N 3.32Å; K534-G538 PolarHBondContact O-N 2.97Å
535	V	86.4	Confident	82.4	Confident	26 Å²	26	35.8 Å²	35.8	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-73.9	-53.5	179.7	176.3	0	0	0	0	110.3	L480 L484 I485 A531 F532 L533 N537 G538 S539	L480-V535 HydrophobicContact CB-CG2 3.82Å; L480-V535 HydrophobicContact CD1-CG2 4.28Å; L484-V535 HydrophobicContact CB-CG1 4.43Å; L484-V535 HydrophobicContact CD1-CB 4.4Å; L484-V535 HydrophobicContact CD1-CG1 4.18Å; I485-V535 HydrophobicContact CG1-CG1 4.1Å; A531-V535 WeakPolarHBondContact O-CG2 3.48Å; A531-V535 PolarHBondContact O-N 2.9Å; F532-V535 PolarHBondContact O-N 2.97Å; F532-V535 VanDerWaalsContact O-N 3.08Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 2.83Å; V535-N537 VanDerWaalsContact C-N 3.27Å; V535-N537 PolarHBondContact O-N 3.28Å; V535-G538 PolarHBondContact O-N 3.44Å; V535-S539 PolarHBondContact O-N 3.09Å
536	L	87.2	Confident	83.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-39.1	-178	-63.8	-178.1	0	0	0	111.7	L484 I485 Y502 F532 G538 S539 G540 Y542 F558	L484-L536 HydrophobicContact CB-CD2 4.29Å; L484-L536 HydrophobicContact CD1-CD2 4.35Å; I485-L536 HydrophobicContact CD1-CD2 4.44Å; Y502-L536 HydrophobicContact CD1-CD1 4.47Å; Y502-L536 HydrophobicContact CD1-CD2 3.67Å; Y502-L536 HydrophobicContact CD2-CD1 4.37Å; Y502-L536 HydrophobicContact CD2-CD2 4.02Å; Y502-L536 HydrophobicContact CE1-CD2 3.41Å; Y502-L536 VanDerWaalsContact CE1-CD2 3.41Å; Y502-L536 HydrophobicContact CE2-CD2 3.8Å; Y502-L536 HydrophobicContact CG-CD1 4.14Å; Y502-L536 HydrophobicContact CG-CD2 3.95Å; Y502-L536 VanDerWaalsContact CZ-CD2 3.43Å; F532-L536 WeakPolarHBondContact O-CB 3.5Å; F532-L536 VanDerWaalsContact O-CG 3.26Å; F532-L536 WeakPolarHBondContact O-CG 3.43Å; F532-L536 PolarHBondContact O-N 3.33Å; L536-G538 VanDerWaalsContact C-N 3.33Å; L536-S539 PolarHBondContact O-N 3.3Å; L536-G540 CarbonylContact O-C 3.58Å; L536-G540 WeakPolarHBondContact O-CA 3.29Å; L536-G540 PolarHBondContact O-N 3.17Å; L536-Y542 HydrophobicContact CB-CD2 3.58Å; L536-Y542 HydrophobicContact CB-CE2 4.13Å; L536-Y542 HydrophobicContact CB-CG 4.12Å; L536-Y542 WeakPolarHBondContact O-CD2 3.47Å; L536-Y542 WeakPolarHBondContact O-CE2 3.38Å; L536-F558 HydrophobicContact CD1-CB 4.21Å; L536-F558 HydrophobicContact CD1-CD1 4.39Å; L536-F558 HydrophobicContact CD1-CD2 3.82Å; L536-F558 HydrophobicContact CD1-CE2 4.27Å; L536-F558 HydrophobicContact CD1-CG 3.89Å
537	N	82.5	Confident	83.8	Confident	44 Å²	44	35 Å²	35	24%	0.235	20%	0.2	C	C	.	.	H	α-helix	trans	-82.2	-10	179.2	-67	-23.5	0	0	0	114.1	L533 V535 G540 Y542 R897	L533-N537 WeakPolarHBondContact O-CA 3.45Å; L533-N537 WeakPolarHBondContact O-CB 3.29Å; L533-N537 PolarHBondContact O-N 3.3Å; L533-N537 PolarHBondContact O-ND2 3.47Å; V535-N537 VanDerWaalsContact C-N 3.27Å; V535-N537 PolarHBondContact O-N 3.28Å; N537-G540 CarbonylContact C-O 3.54Å; N537-G540 WeakPolarHBondContact CA-O 3.32Å; N537-Y542 PolarHBondContact OD1-N 3.3Å; N537-Y542 PolarHBondContact OD1-O 3.25Å; N537-R897 PolarHBondContact ND2-NE 2.99Å; N537-R897 VanDerWaalsContact ND2-NE 3.14Å; N537-R897 PolarHBondContact O-NH2 3.08Å; N537-R897 PolarHBondContact OD1-NE 3.43Å; N537-R897 PolarHBondContact OD1-NH1 2.8Å; N537-R897 PolarHBondContact OD1-NH2 3.04Å; N537-R897 VanDerWaalsContact OD1-NH2 3.15Å
538	G	79.3	Confident	84.3	Confident	68 Å²	68	31.8 Å²	31.8	70%	0.701	19%	0.186	S	C	*	.	H	α-helix	trans	-78.2	-29.7	168.9	0	0	0	0	0	112.3	K534 V535 L536	K534-G538 PolarHBondContact O-N 2.97Å; V535-G538 PolarHBondContact O-N 3.44Å; L536-G538 VanDerWaalsContact C-N 3.33Å
539	S	69.2	Low	84.3	Confident	51 Å²	51	33.1 Å²	33.1	36%	0.357	19%	0.192	S	C	.	.	H	α-helix	trans	-105.3	-19.1	-178	-50.6	0	0	0	0	113.7	V535 L536	V535-S539 PolarHBondContact O-N 3.09Å; L536-S539 PolarHBondContact O-N 3.3Å
540	G	73.1	Confident	84.4	Confident	19 Å²	19	30.8 Å²	30.8	20%	0.196	18%	0.184	C	C	.	.	S	Bend	trans	-161.4	-153.8	-177.3	0	0	0	0	0	112.5	L536 N537 R897	L536-G540 CarbonylContact O-C 3.58Å; L536-G540 WeakPolarHBondContact O-CA 3.29Å; L536-G540 PolarHBondContact O-N 3.17Å; N537-G540 CarbonylContact C-O 3.54Å; N537-G540 WeakPolarHBondContact CA-O 3.32Å; G540-R897 PolarHBondContact O-NH2 3.35Å
541	C	81.9	Confident	84.5	Confident	30 Å²	30	28.4 Å²	28.4	20%	0.203	17%	0.174	C	C	.	.			trans	-127.7	110.4	-174.7	-160.8	0	0	0	0	111.5	R560 P561 R897	C541-R560 WeakPolarHBondContact O-CA 3.41Å; C541-P561 HydrophobicContact CB-CG 4.37Å; C541-P561 WeakPolarHBondContact O-CD 3.47Å; C541-P561 WeakPolarHBondContact SG-CG 3.44Å; C541-R897 VanDerWaalsContact CB-NH1 3.28Å; C541-R897 PolarHBondContact SG-NH1 3.04Å
542	Y	87.5	Confident	84.5	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.008	17%	0.166	C	C	.	.			trans	-137.4	149.9	-175.3	-60.9	-88.3	0	0	0	115.2	P498 Y499 Y502 L536 N537 F558 V559 R560	P498-Y542 HydrophobicContact CB-CE2 4.4Å; P498-Y542 WeakPolarHBondContact CB-OH 3.27Å; Y499-Y542 PolarHBondContact N-OH 2.87Å; Y499-Y542 WeakPolarHBondContact O-CE1 3.48Å; Y499-Y542 VanDerWaalsContact O-CZ 3.32Å; Y499-Y542 PolarHBondContact O-OH 2.95Å; Y502-Y542 AromaticContact CD2-CD1 3.99Å; Y502-Y542 HydrophobicContact CD2-CD1 3.99Å; Y502-Y542 AromaticContact CD2-CE1 3.49Å; Y502-Y542 HydrophobicContact CD2-CE1 3.49Å; Y502-Y542 VanDerWaalsContact CD2-CE1 3.49Å; Y502-Y542 AromaticContact CD2-CZ 3.9Å; Y502-Y542 HydrophobicContact CE2-CD1 4.34Å; Y502-Y542 AromaticContact CE2-CE1 3.51Å; Y502-Y542 HydrophobicContact CE2-CE1 3.51Å; Y502-Y542 HydrophobicContact CE2-CE2 4.15Å; Y502-Y542 AromaticContact CE2-CZ 3.4Å; Y502-Y542 VanDerWaalsContact CE2-CZ 3.4Å; Y502-Y542 VanDerWaalsContact CE2-OH 3.31Å; Y502-Y542 WeakPolarHBondContact CE2-OH 3.4Å; L536-Y542 HydrophobicContact CB-CD2 3.58Å; L536-Y542 HydrophobicContact CB-CE2 4.13Å; L536-Y542 HydrophobicContact CB-CG 4.12Å; L536-Y542 WeakPolarHBondContact O-CD2 3.47Å; L536-Y542 WeakPolarHBondContact O-CE2 3.38Å; N537-Y542 PolarHBondContact OD1-N 3.3Å; N537-Y542 PolarHBondContact OD1-O 3.25Å; Y542-F558 HydrophobicContact CD1-CB 4.44Å; Y542-V559 WeakPolarHBondContact CA-O 3.37Å; Y542-R560 HydrophobicContact CD1-CG 4.36Å; Y542-R560 HydrophobicContact CE1-CG 3.89Å
543	V	85.6	Confident	84.5	Confident	13 Å²	13	27.3 Å²	27.3	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	174.3	-150.9	0	0	0	0	108.8	S184 V545 F558 V559 P561 I564	S184-V543 WeakPolarHBondContact OG-CG1 3.32Å; V543-V545 PolarHBondContact O-N 2.93Å; V543-F558 CarbonylContact O-C 3.52Å; V543-F558 VanDerWaalsContact O-CA 3.28Å; V543-F558 WeakPolarHBondContact O-CA 3.26Å; V543-V559 PolarHBondContact N-O 3.46Å; V543-V559 PolarHBondContact O-N 3.37Å; V543-P561 HydrophobicContact CG2-CB 3.93Å; V543-P561 HydrophobicContact CG2-CG 3.62Å; V543-I564 HydrophobicContact CB-CD1 4.18Å; V543-I564 HydrophobicContact CB-CG1 4.29Å; V543-I564 HydrophobicContact CG2-CG1 4.1Å
544	L	88.6	Confident	84.9	Confident	12 Å²	12	25.5 Å²	25.5	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.6	172.7	-178.1	78	0	0	0	109.5	S184 R529 E546 L547 F556 V557 F558	S184-L544 WeakPolarHBondContact CB-O 3.25Å; S184-L544 PolarHBondContact OG-O 2.81Å; R529-L544 HydrophobicContact CG-CD2 4.34Å; L544-E546 WeakPolarHBondContact CD1-O 3.48Å; L544-L547 HydrophobicContact CD1-CB 4.48Å; L544-L547 HydrophobicContact CD2-CB 4.33Å; L544-L547 HydrophobicContact CD2-CD2 3.85Å; L544-L547 HydrophobicContact CD2-CG 4.36Å; L544-F556 HydrophobicContact CD1-CB 4.29Å; L544-F556 HydrophobicContact CD1-CD1 4.36Å; L544-V557 WeakPolarHBondContact CD1-O 3.3Å; L544-F558 HydrophobicContact CB-CD1 3.9Å; L544-F558 HydrophobicContact CB-CE1 3.9Å; L544-F558 HydrophobicContact CD1-CD1 3.82Å; L544-F558 HydrophobicContact CD1-CE1 3.47Å; L544-F558 VanDerWaalsContact CD1-CE1 3.47Å; L544-F558 HydrophobicContact CD1-CE2 4.32Å; L544-F558 HydrophobicContact CD1-CG 4.37Å; L544-F558 HydrophobicContact CD1-CZ 3.76Å; L544-F558 HydrophobicContact CG-CD1 4.5Å; L544-F558 HydrophobicContact CG-CE1 4.28Å
545	V	89.6	Confident	85.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-54.7	170.7	175.3	0	0	0	0	109.5	R183 V543 V557 V559 I564 V567 V570	R183-V545 WeakPolarHBondContact CB-O 3.49Å; R183-V545 WeakPolarHBondContact CG-O 3.39Å; V543-V545 PolarHBondContact O-N 2.93Å; V545-V557 HydrophobicContact CB-CG1 4.44Å; V545-V557 PolarHBondContact N-O 2.86Å; V545-V559 HydrophobicContact CG2-CB 4.09Å; V545-V559 HydrophobicContact CG2-CG1 3.54Å; V545-V559 HydrophobicContact CG2-CG2 3.46Å; V545-V559 VanDerWaalsContact CG2-CG2 3.46Å; V545-I564 HydrophobicContact CG2-CD1 4.3Å; V545-V567 HydrophobicContact CG1-CG1 3.97Å; V545-V570 HydrophobicContact CG1-CB 4.48Å; V545-V570 HydrophobicContact CG1-CG1 3.79Å; V545-V570 HydrophobicContact CG1-CG2 3.82Å
546	E	88.9	Confident	85.8	Confident	12 Å²	12	16.1 Å²	16.1	6%	0.056	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	157.1	-175.8	-172.4	59	-104.6	0	0	110.4	N182 L544 V557 V570 T572 I591	N182-E546 VanDerWaalsContact O-CD 3.27Å; L544-E546 WeakPolarHBondContact CD1-O 3.48Å; E546-V557 PolarHBondContact O-N 3.43Å; E546-V557 VanDerWaalsContact O-N 3.12Å; E546-V570 HydrophobicContact CB-CG1 3.85Å; E546-V570 HydrophobicContact CG-CG1 4.23Å; E546-T572 HydrophobicContact CG-CG2 3.4Å; E546-I591 HydrophobicContact CB-CD1 4.08Å; E546-I591 HydrophobicContact CB-CG2 4.07Å; E546-I591 HydrophobicContact CG-CD1 4.22Å; E546-I591 HydrophobicContact CG-CG1 4.43Å; E546-I591 HydrophobicContact CG-CG2 4.47Å; E546-I591 WeakPolarHBondContact O-CD1 3.45Å
547	L	89.7	Confident	86.2	Confident	15 Å²	15	16.1 Å²	16.1	8%	0.079	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.2	167.9	71.8	84.3	0	0	0	110.6	Q525 L544 L555 F556	Q525-L547 VanDerWaalsContact OE1-CD1 3.28Å; L544-L547 HydrophobicContact CD1-CB 4.48Å; L544-L547 HydrophobicContact CD2-CB 4.33Å; L544-L547 HydrophobicContact CD2-CD2 3.85Å; L544-L547 HydrophobicContact CD2-CG 4.36Å; L547-L555 CarbonylContact C-O 3.49Å; L547-L555 VanDerWaalsContact CA-O 3.25Å; L547-L555 WeakPolarHBondContact CA-O 3.46Å; L547-F556 HydrophobicContact CB-CD1 3.83Å; L547-F556 HydrophobicContact CB-CE1 4.2Å; L547-F556 HydrophobicContact CD2-CD1 4.23Å; L547-F556 HydrophobicContact CD2-CE1 4.02Å
548	V	87.7	Confident	86.8	Confident	8 Å²	8	14 Å²	14	5%	0.048	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137	178.6	61.5	0	0	0	0	110.4	C554 L555 T572 I574 T589 I591	V548-C554 CarbonylContact O-C 3.59Å; V548-C554 WeakPolarHBondContact O-CA 3.44Å; V548-L555 HydrophobicContact CG1-CB 3.85Å; V548-L555 HydrophobicContact CG1-CD2 4.35Å; V548-L555 HydrophobicContact CG1-CG 4.45Å; V548-L555 PolarHBondContact N-O 2.86Å; V548-L555 PolarHBondContact O-N 3.04Å; V548-T572 HydrophobicContact CB-CG2 4.25Å; V548-I574 HydrophobicContact CG2-CD1 3.64Å; V548-I574 HydrophobicContact CG2-CG1 3.56Å; V548-T589 HydrophobicContact CG1-CG2 4.48Å; V548-T589 HydrophobicContact CG2-CG2 4.39Å; V548-I591 HydrophobicContact CB-CG1 4.37Å; V548-I591 HydrophobicContact CG1-CD1 3.97Å; V548-I591 HydrophobicContact CG1-CG1 3.61Å
549	Q	86.3	Confident	87.4	Confident	31 Å²	31	10.8 Å²	10.8	15%	0.145	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.9	-178.6	-174.4	-178.7	-14.9	0	0	111.3	M509 V551 I553 C554	M509-Q549 HydrophobicContact CE-CG 3.96Å; Q549-V551 PolarHBondContact NE2-O 2.88Å; Q549-I553 CarbonylContact C-O 3.6Å; Q549-I553 VanDerWaalsContact CA-O 3.25Å; Q549-I553 WeakPolarHBondContact CA-O 3.44Å; Q549-I553 WeakPolarHBondContact CG-O 3.33Å; Q549-C554 HydrophobicContact CG-CB 4.37Å
550	L	85.6	Confident	88.4	Confident	8 Å²	8	10.4 Å²	10.4	4%	0.042	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	101.6	165.3	172.2	61.9	0	0	0	109	G552 I553 I574 V575 K576 T589	L550-G552 PolarHBondContact O-N 2.71Å; L550-I553 HydrophobicContact CB-CB 4.43Å; L550-I553 HydrophobicContact CD2-CD1 4.27Å; L550-I553 PolarHBondContact N-O 2.96Å; L550-I553 WeakPolarHBondContact O-CB 3.37Å; L550-I553 PolarHBondContact O-N 2.8Å; L550-I574 HydrophobicContact CB-CG2 3.84Å; L550-I574 HydrophobicContact CD1-CG2 3.77Å; L550-I574 HydrophobicContact CD2-CG2 3.83Å; L550-I574 HydrophobicContact CG-CG2 3.99Å; L550-V575 VanDerWaalsContact CD2-O 3.32Å; L550-V575 WeakPolarHBondContact CD2-O 3.47Å; L550-K576 HydrophobicContact CD1-CD 4.21Å; L550-K576 HydrophobicContact CD1-CG 3.68Å; L550-K576 HydrophobicContact CD2-CG 4.11Å; L550-T589 HydrophobicContact CB-CG2 3.52Å
551	V	82.4	Confident	89	Confident	21 Å²	21	9.5 Å²	9.5	13%	0.127	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-104.3	-179.5	-169.8	0	0	0	0	110.8	L512 V517 Q549 N585	L512-V551 HydrophobicContact CD2-CG1 3.66Å; V517-V551 HydrophobicContact CG1-CG1 4.37Å; V517-V551 HydrophobicContact CG2-CG1 4.11Å; Q549-V551 PolarHBondContact NE2-O 2.88Å; V551-N585 HydrophobicContact CG1-CB 4.43Å
552	G	83.9	Confident	89.2	Confident	4 Å²	4	12 Å²	12	4%	0.041	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-5.8	177.6	0	0	0	0	0	114.7	Q507 E508 M509 L550	Q507-G552 CarbonylContact C-O 3.55Å; Q507-G552 WeakPolarHBondContact CA-O 3.47Å; E508-G552 PolarHBondContact N-O 3.15Å; M509-G552 WeakPolarHBondContact CB-O 3.44Å; M509-G552 PolarHBondContact N-O 2.79Å; L550-G552 PolarHBondContact O-N 2.71Å
553	I	90.8	Very high	89.3	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.5	179.6	-48.7	174.1	0	0	0	108.2	L506 Q549 L550 G587 T589 C604 H606	L506-I553 CarbonylContact O-C 3.51Å; L506-I553 VanDerWaalsContact O-CA 3.29Å; L506-I553 WeakPolarHBondContact O-CA 3.34Å; Q549-I553 CarbonylContact C-O 3.6Å; Q549-I553 VanDerWaalsContact CA-O 3.25Å; Q549-I553 WeakPolarHBondContact CA-O 3.44Å; Q549-I553 WeakPolarHBondContact CG-O 3.33Å; L550-I553 HydrophobicContact CB-CB 4.43Å; L550-I553 HydrophobicContact CD2-CD1 4.27Å; L550-I553 PolarHBondContact N-O 2.96Å; L550-I553 WeakPolarHBondContact O-CB 3.37Å; L550-I553 PolarHBondContact O-N 2.8Å; I553-G587 WeakPolarHBondContact CD1-O 3.43Å; I553-T589 HydrophobicContact CB-CG2 4.37Å; I553-T589 HydrophobicContact CG2-CG2 4.09Å; I553-C604 HydrophobicContact CG2-CB 4.31Å; I553-H606 HydrophobicContact CD1-CB 3.57Å; I553-H606 HydrophobicContact CG1-CB 3.78Å
554	C	92	Very high	89.3	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.2	177	-161.4	0	0	0	0	110.5	G505 L506 M509 V548 Q549 F556	G505-C554 CarbonylContact C-O 3.1Å; G505-C554 WeakPolarHBondContact CA-O 3.16Å; L506-C554 PolarHBondContact N-O 3.5Å; L506-C554 PolarHBondContact O-N 2.73Å; M509-C554 HydrophobicContact CE-CB 3.82Å; M509-C554 HydrophobicContact SD-CB 3.81Å; V548-C554 CarbonylContact O-C 3.59Å; V548-C554 WeakPolarHBondContact O-CA 3.44Å; Q549-C554 HydrophobicContact CG-CB 4.37Å; C554-F556 HydrophobicContact CB-CE2 3.93Å; C554-F556 HydrophobicContact CB-CZ 4.36Å; C554-F556 WeakPolarHBondContact SG-CE2 3.34Å; C554-F556 WeakPolarHBondContact SG-CZ 3.18Å
555	L	95.5	Very high	89	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.8	177.2	172.8	62.3	0	0	0	108.9	I504 L547 V548 I591 F602 C604 F645	I504-L555 WeakPolarHBondContact O-CA 3.23Å; L547-L555 CarbonylContact C-O 3.49Å; L547-L555 VanDerWaalsContact CA-O 3.25Å; L547-L555 WeakPolarHBondContact CA-O 3.46Å; V548-L555 HydrophobicContact CG1-CB 3.85Å; V548-L555 HydrophobicContact CG1-CD2 4.35Å; V548-L555 HydrophobicContact CG1-CG 4.45Å; V548-L555 PolarHBondContact N-O 2.86Å; V548-L555 PolarHBondContact O-N 3.04Å; L555-I591 HydrophobicContact CD2-CB 4.15Å; L555-I591 HydrophobicContact CD2-CD1 4.23Å; L555-I591 HydrophobicContact CD2-CG1 3.89Å; L555-I591 HydrophobicContact CG-CD1 3.95Å; L555-I591 HydrophobicContact CG-CG1 4.18Å; L555-F602 HydrophobicContact CD2-CB 4.19Å; L555-F602 VanDerWaalsContact CD2-O 3.26Å; L555-F602 WeakPolarHBondContact CD2-O 3.43Å; L555-C604 HydrophobicContact CB-CB 3.89Å; L555-C604 HydrophobicContact CD1-CB 4.19Å; L555-C604 HydrophobicContact CD2-CB 4.38Å; L555-C604 HydrophobicContact CG-CB 4.37Å; L555-F645 HydrophobicContact CD1-CE2 3.72Å; L555-F645 HydrophobicContact CD1-CZ 3.51Å
556	F	94.5	Very high	88.8	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.5	177.2	-56	-97.2	0	0	0	109.1	A503 I504 L506 Q525 W528 R529 F532 L544 L547 C554 F558	A503-F556 CarbonylContact C-O 3.5Å; A503-F556 WeakPolarHBondContact CA-O 3.39Å; I504-F556 PolarHBondContact N-O 2.89Å; I504-F556 PolarHBondContact O-N 2.76Å; L506-F556 HydrophobicContact CD1-CE2 4.11Å; L506-F556 HydrophobicContact CG-CE2 4.43Å; Q525-F556 HydrophobicContact CB-CZ 4.34Å; W528-F556 HydrophobicContact CB-CE2 4.46Å; W528-F556 HydrophobicContact CB-CZ 3.93Å; R529-F556 HydrophobicContact CB-CE1 4.08Å; F532-F556 HydrophobicContact CD2-CD2 4.28Å; F532-F556 HydrophobicContact CD2-CG 4.33Å; F532-F556 AromaticContact CE2-CD2 3.8Å; F532-F556 HydrophobicContact CE2-CD2 3.8Å; F532-F556 AromaticContact CE2-CE2 3.86Å; F532-F556 HydrophobicContact CE2-CE2 3.86Å; F532-F556 HydrophobicContact CE2-CG 4.3Å; F532-F556 HydrophobicContact CE2-CZ 4.39Å; L544-F556 HydrophobicContact CD1-CB 4.29Å; L544-F556 HydrophobicContact CD1-CD1 4.36Å; L547-F556 HydrophobicContact CB-CD1 3.83Å; L547-F556 HydrophobicContact CB-CE1 4.2Å; L547-F556 HydrophobicContact CD2-CD1 4.23Å; L547-F556 HydrophobicContact CD2-CE1 4.02Å; C554-F556 HydrophobicContact CB-CE2 3.93Å; C554-F556 HydrophobicContact CB-CZ 4.36Å; C554-F556 WeakPolarHBondContact SG-CE2 3.34Å; C554-F556 WeakPolarHBondContact SG-CZ 3.18Å; F556-F558 HydrophobicContact CB-CD2 4.35Å; F556-F558 HydrophobicContact CB-CE2 3.54Å; F556-F558 HydrophobicContact CB-CZ 3.97Å; F556-F558 HydrophobicContact CD1-CZ 4.33Å; F556-F558 HydrophobicContact CG-CE2 4.36Å; F556-F558 HydrophobicContact CG-CZ 4.45Å
557	V	96.3	Very high	88.8	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.6	169	179	0	0	0	0	110.3	I501 Y502 A503 L544 V545 E546 I591 F593 F602	I501-V557 HydrophobicContact CG2-CG1 4.08Å; Y502-V557 CarbonylContact O-C 3.52Å; Y502-V557 VanDerWaalsContact O-CA 3.27Å; Y502-V557 WeakPolarHBondContact O-CA 3.19Å; A503-V557 HydrophobicContact CB-CG2 4.18Å; L544-V557 WeakPolarHBondContact CD1-O 3.3Å; V545-V557 HydrophobicContact CB-CG1 4.44Å; V545-V557 PolarHBondContact N-O 2.86Å; E546-V557 PolarHBondContact O-N 3.43Å; E546-V557 VanDerWaalsContact O-N 3.12Å; V557-I591 HydrophobicContact CB-CD1 4.44Å; V557-I591 HydrophobicContact CB-CG2 4.43Å; V557-I591 HydrophobicContact CG2-CB 4.08Å; V557-I591 HydrophobicContact CG2-CD1 3.97Å; V557-I591 HydrophobicContact CG2-CG2 4.03Å; V557-F593 HydrophobicContact CG1-CE1 3.85Å; V557-F593 HydrophobicContact CG1-CZ 4.26Å; V557-F602 HydrophobicContact CG2-CB 4.32Å; V557-F602 HydrophobicContact CG2-CD2 4.03Å; V557-F602 HydrophobicContact CG2-CG 4.21Å
558	F	93.8	Very high	88.6	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.2	175.4	-51.2	-92.5	0	0	0	110.2	I501 Y502 I504 F532 L533 L536 Y542 V543 L544 F556	I501-F558 CarbonylContact C-O 3.52Å; I501-F558 WeakPolarHBondContact CA-O 3.36Å; Y502-F558 PolarHBondContact N-O 2.78Å; Y502-F558 PolarHBondContact O-N 3.32Å; I504-F558 HydrophobicContact CD1-CD2 4.43Å; I504-F558 HydrophobicContact CD1-CE2 4.12Å; F532-F558 HydrophobicContact CB-CE2 4.08Å; F532-F558 HydrophobicContact CB-CZ 3.86Å; F532-F558 HydrophobicContact CD2-CE2 4.23Å; F532-F558 HydrophobicContact CD2-CZ 4.23Å; F532-F558 HydrophobicContact CG-CE2 4.48Å; L533-F558 HydrophobicContact CD1-CE1 4.5Å; L533-F558 HydrophobicContact CD2-CD1 3.65Å; L533-F558 HydrophobicContact CD2-CE1 3.58Å; L533-F558 HydrophobicContact CG-CD1 4.34Å; L533-F558 HydrophobicContact CG-CE1 3.74Å; L536-F558 HydrophobicContact CD1-CB 4.21Å; L536-F558 HydrophobicContact CD1-CD1 4.39Å; L536-F558 HydrophobicContact CD1-CD2 3.82Å; L536-F558 HydrophobicContact CD1-CE2 4.27Å; L536-F558 HydrophobicContact CD1-CG 3.89Å; Y542-F558 HydrophobicContact CD1-CB 4.44Å; V543-F558 CarbonylContact O-C 3.52Å; V543-F558 VanDerWaalsContact O-CA 3.28Å; V543-F558 WeakPolarHBondContact O-CA 3.26Å; L544-F558 HydrophobicContact CB-CD1 3.9Å; L544-F558 HydrophobicContact CB-CE1 3.9Å; L544-F558 HydrophobicContact CD1-CD1 3.82Å; L544-F558 HydrophobicContact CD1-CE1 3.47Å; L544-F558 VanDerWaalsContact CD1-CE1 3.47Å; L544-F558 HydrophobicContact CD1-CE2 4.32Å; L544-F558 HydrophobicContact CD1-CG 4.37Å; L544-F558 HydrophobicContact CD1-CZ 3.76Å; L544-F558 HydrophobicContact CG-CD1 4.5Å; L544-F558 HydrophobicContact CG-CE1 4.28Å; F556-F558 HydrophobicContact CB-CD2 4.35Å; F556-F558 HydrophobicContact CB-CE2 3.54Å; F556-F558 HydrophobicContact CB-CZ 3.97Å; F556-F558 HydrophobicContact CD1-CZ 4.33Å; F556-F558 HydrophobicContact CG-CE2 4.36Å; F556-F558 HydrophobicContact CG-CZ 4.45Å
559	V	93.3	Very high	88.3	Confident	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.7	174.4	-58.9	0	0	0	0	110.2	D500 I501 Y542 V543 V545 I564 V567	D500-V559 WeakPolarHBondContact O-CA 3.07Å; I501-V559 HydrophobicContact CB-CG1 4.46Å; I501-V559 HydrophobicContact CD1-CG1 4.45Å; I501-V559 HydrophobicContact CG1-CG1 4.04Å; I501-V559 HydrophobicContact CG2-CG1 4.13Å; Y542-V559 WeakPolarHBondContact CA-O 3.37Å; V543-V559 PolarHBondContact N-O 3.46Å; V543-V559 PolarHBondContact O-N 3.37Å; V545-V559 HydrophobicContact CG2-CB 4.09Å; V545-V559 HydrophobicContact CG2-CG1 3.54Å; V545-V559 HydrophobicContact CG2-CG2 3.46Å; V545-V559 VanDerWaalsContact CG2-CG2 3.46Å; V559-I564 HydrophobicContact CG2-CD1 3.31Å; V559-I564 HydrophobicContact CG2-CG1 3.82Å; V559-V567 HydrophobicContact CG2-CG2 4.48Å
560	R	90.4	Very high	88.5	Confident	44 Å²	44	14.2 Å²	14.2	17%	0.166	7%	0.071	C	C	.	.			trans	-59.6	138.3	167.2	-75.7	-175.3	176.3	-107.3	23.2	111.8	D497 P498 Y499 D500 C541 Y542 E562 L563	D497-R560 IonicContact OD1-NH2 3.89Å; P498-R560 PolarHBondContact O-NE 2.88Å; P498-R560 PolarHBondContact O-NH2 3.22Å; Y499-R560 PolarHBondContact O-NE 3Å; D500-R560 PolarHBondContact O-N 3.32Å; D500-R560 VanDerWaalsContact O-N 3.08Å; D500-R560 WeakPolarHBondContact OD1-CD 3.44Å; D500-R560 IonicContact OD1-NE 2.9Å; C541-R560 WeakPolarHBondContact O-CA 3.41Å; Y542-R560 HydrophobicContact CD1-CG 4.36Å; Y542-R560 HydrophobicContact CE1-CG 3.89Å; R560-E562 WeakPolarHBondContact CB-OE2 3.45Å; R560-E562 PolarHBondContact O-N 2.96Å; R560-L563 HydrophobicContact CB-CD1 4.25Å; R560-L563 HydrophobicContact CB-CG 4.36Å; R560-L563 WeakPolarHBondContact O-CB 3.35Å; R560-L563 PolarHBondContact O-N 2.88Å
561	P	85.2	Confident	88.6	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-56	-32.7	-177.6	-24.5	29.1	0	0	0	114.3	C541 V543 L563 I564 P565	C541-P561 HydrophobicContact CB-CG 4.37Å; C541-P561 WeakPolarHBondContact O-CD 3.47Å; C541-P561 WeakPolarHBondContact SG-CG 3.44Å; V543-P561 HydrophobicContact CG2-CB 3.93Å; V543-P561 HydrophobicContact CG2-CG 3.62Å; P561-L563 PolarHBondContact O-N 2.81Å; P561-L563 VanDerWaalsContact O-N 3.16Å; P561-I564 WeakPolarHBondContact O-CB 3.01Å; P561-I564 PolarHBondContact O-N 3.46Å; P561-I564 VanDerWaalsContact O-N 3.09Å; P561-P565 WeakPolarHBondContact O-CD 3.39Å
562	E	85.9	Confident	88.9	Confident	83 Å²	83	16 Å²	16	39%	0.388	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-63.3	-21.5	-179.9	-54.3	77.2	-164.5	0	0	111.8	R560 I890	R560-E562 WeakPolarHBondContact CB-OE2 3.45Å; R560-E562 PolarHBondContact O-N 2.96Å; E562-I890 HydrophobicContact CG-CG2 4.41Å
563	L	89.2	Confident	89.2	Confident	16 Å²	16	16 Å²	16	8%	0.084	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-89	-21	177.9	-59	176.7	0	0	0	113.2	L454 D500 R560 P561 P565 H566 V567 L595 F596	L454-L563 HydrophobicContact CD1-CD1 4Å; L454-L563 HydrophobicContact CD1-CD2 4.1Å; D500-L563 HydrophobicContact CB-CD1 3.98Å; R560-L563 HydrophobicContact CB-CD1 4.25Å; R560-L563 HydrophobicContact CB-CG 4.36Å; R560-L563 WeakPolarHBondContact O-CB 3.35Å; R560-L563 PolarHBondContact O-N 2.88Å; P561-L563 PolarHBondContact O-N 2.81Å; P561-L563 VanDerWaalsContact O-N 3.16Å; L563-P565 VanDerWaalsContact C-CD 3.46Å; L563-H566 WeakPolarHBondContact O-CA 3.39Å; L563-H566 WeakPolarHBondContact O-CB 3.47Å; L563-H566 PolarHBondContact O-N 2.89Å; L563-V567 PolarHBondContact O-N 3.46Å; L563-L595 HydrophobicContact CB-CD1 4.07Å; L563-L595 HydrophobicContact CD1-CD2 4.43Å; L563-L595 HydrophobicContact CD2-CD1 4.46Å; L563-F596 HydrophobicContact CD2-CE2 4.11Å; L563-F596 HydrophobicContact CD2-CZ 4.34Å
564	I	86.8	Confident	89.2	Confident	5 Å²	5	20 Å²	20	3%	0.026	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-54.8	-42.4	-175.6	-70.1	-71.4	0	0	0	113.8	A190 V543 V545 V559 P561 H566 V567 A893	A190-I564 HydrophobicContact CB-CG2 4.11Å; V543-I564 HydrophobicContact CB-CD1 4.18Å; V543-I564 HydrophobicContact CB-CG1 4.29Å; V543-I564 HydrophobicContact CG2-CG1 4.1Å; V545-I564 HydrophobicContact CG2-CD1 4.3Å; V559-I564 HydrophobicContact CG2-CD1 3.31Å; V559-I564 HydrophobicContact CG2-CG1 3.82Å; P561-I564 WeakPolarHBondContact O-CB 3.01Å; P561-I564 PolarHBondContact O-N 3.46Å; P561-I564 VanDerWaalsContact O-N 3.09Å; I564-H566 PolarHBondContact O-N 2.84Å; I564-V567 PolarHBondContact O-N 3.49Å; I564-A893 HydrophobicContact CG2-CB 4.47Å
565	P	82	Confident	89.1	Confident	4 Å²	4	20.3 Å²	20.3	3%	0.026	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54.2	-25.7	174.1	-28.8	36	0	0	0	114.6	P561 L563 E889 I890	P561-P565 WeakPolarHBondContact O-CD 3.39Å; L563-P565 VanDerWaalsContact C-CD 3.46Å; P565-E889 HydrophobicContact CB-CB 4.34Å; P565-E889 VanDerWaalsContact CB-OE2 3.27Å; P565-E889 WeakPolarHBondContact CB-OE2 3.33Å; P565-E889 HydrophobicContact CG-CB 3.95Å; P565-I890 HydrophobicContact CG-CD1 4.32Å; P565-I890 HydrophobicContact CG-CG1 3.48Å; P565-I890 VanDerWaalsContact CG-CG1 3.48Å
566	H	85.4	Confident	88.8	Confident	23 Å²	23	24.7 Å²	24.7	11%	0.106	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-103.8	-5.2	-173.6	-52.4	-65.5	0	0	0	113.4	L563 I564 L595 F596 E886	L563-H566 WeakPolarHBondContact O-CA 3.39Å; L563-H566 WeakPolarHBondContact O-CB 3.47Å; L563-H566 PolarHBondContact O-N 2.89Å; I564-H566 PolarHBondContact O-N 2.84Å; H566-L595 HydrophobicContact CB-CD1 3.99Å; H566-F596 HydrophobicContact CB-CD1 3.7Å; H566-F596 HydrophobicContact CB-CE1 3.67Å; H566-F596 HydrophobicContact CB-CE2 4.47Å; H566-F596 HydrophobicContact CB-CG 4.13Å; H566-F596 HydrophobicContact CB-CZ 4.06Å; H566-F596 AromaticContact CD2-CE1 3.23Å; H566-F596 WeakPolarHBondContact CD2-CE1 3.44Å; H566-F596 AromaticContact CD2-CZ 3.47Å; H566-F596 VanDerWaalsContact CD2-CZ 3.47Å; H566-F596 WeakPolarHBondContact CD2-CZ 3.47Å; H566-F596 AromaticContact CE1-CE1 3.63Å; H566-F596 AromaticContact CG-CD1 3.58Å; H566-F596 AromaticContact CG-CE1 3.15Å; H566-F596 AromaticContact CG-CZ 3.73Å; H566-F596 AromaticContact ND1-CD1 3.72Å; H566-F596 AromaticContact ND1-CE1 3.43Å; H566-F596 WeakPolarHBondContact ND1-CE1 3.28Å; H566-F596 AromaticContact NE2-CE1 3.52Å; H566-F596 AromaticContact NE2-CZ 3.99Å; H566-F596 PolarHBondContact O-N 3.19Å; H566-F596 VanDerWaalsContact O-N 3.1Å; H566-E886 IonicContact CE1-OE1 3.76Å; H566-E886 PolarHBondContact CE1-OE1 3.43Å; H566-E886 IonicContact CE1-OE2 2.87Å; H566-E886 PolarHBondContact CE1-OE2 3.07Å; H566-E886 IonicContact NE2-OE2 3.8Å
567	V	88.8	Confident	88.2	Confident	7 Å²	7	25.4 Å²	25.4	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121	172.9	174.1	0	0	0	0	109.5	V545 V559 L563 I564 V570 F593 T594 L595	V545-V567 HydrophobicContact CG1-CG1 3.97Å; V559-V567 HydrophobicContact CG2-CG2 4.48Å; L563-V567 PolarHBondContact O-N 3.46Å; I564-V567 PolarHBondContact O-N 3.49Å; V567-V570 HydrophobicContact CG1-CG2 3.61Å; V567-F593 HydrophobicContact CG1-CB 4.11Å; V567-F593 HydrophobicContact CG1-CD2 3.84Å; V567-F593 HydrophobicContact CG1-CG 4.12Å; V567-F593 HydrophobicContact CG2-CD2 4.23Å; V567-F593 HydrophobicContact CG2-CE2 4.29Å; V567-T594 CarbonylContact C-O 3.52Å; V567-T594 WeakPolarHBondContact CA-O 3.2Å; V567-L595 HydrophobicContact CG2-CD1 3.9Å
568	R	85.5	Confident	86.9	Confident	16 Å²	16	25.9 Å²	25.9	6%	0.06	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	170.1	-180	-61.5	179.6	-66.3	116.8	-11	111.4	D133 N405 S406 V570 F593 T594 F596	D133-R568 HydrophobicContact CB-CB 4.2Å; D133-R568 HydrophobicContact CB-CG 4.28Å; N405-R568 PolarHBondContact O-NH1 2.88Å; S406-R568 PolarHBondContact O-NH2 3.39Å; R568-V570 PolarHBondContact O-N 3.15Å; R568-V570 VanDerWaalsContact O-N 3.08Å; R568-F593 CarbonylContact O-C 3.51Å; R568-F593 WeakPolarHBondContact O-CA 3.49Å; R568-F593 WeakPolarHBondContact O-CB 3.44Å; R568-T594 PolarHBondContact N-O 2.98Å; R568-T594 PolarHBondContact O-N 3.08Å; R568-F596 PolarHBondContact NH2-O 3.43Å
569	D	81.6	Confident	85.5	Confident	53 Å²	53	34.4 Å²	34.4	28%	0.283	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.3	26.6	170.5	-52.3	-53.1	0	0	0	113.4	D133 S571 T594	D133-D569 PolarHBondContact OD2-N 2.96Å; D569-S571 PolarHBondContact O-N 2.93Å; D569-S571 VanDerWaalsContact O-N 3.15Å; D569-S571 PolarHBondContact O-OG 3.08Å; D569-T594 PolarHBondContact OD2-OG1 3.14Å
570	V	88.9	Confident	83.8	Confident	15 Å²	15	38.3 Å²	38.3	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	122.1	-176.8	-168.8	0	0	0	0	109.4	R183 V545 E546 V567 R568 I591 S592 F593	R183-V570 VanDerWaalsContact CZ-CB 3.41Å; R183-V570 VanDerWaalsContact CZ-CG2 3.45Å; R183-V570 VanDerWaalsContact NH2-CB 3.33Å; R183-V570 PolarHBondContact NH2-O 2.91Å; V545-V570 HydrophobicContact CG1-CB 4.48Å; V545-V570 HydrophobicContact CG1-CG1 3.79Å; V545-V570 HydrophobicContact CG1-CG2 3.82Å; E546-V570 HydrophobicContact CB-CG1 3.85Å; E546-V570 HydrophobicContact CG-CG1 4.23Å; V567-V570 HydrophobicContact CG1-CG2 3.61Å; R568-V570 PolarHBondContact O-N 3.15Å; R568-V570 VanDerWaalsContact O-N 3.08Å; V570-I591 HydrophobicContact CG1-CG2 4.44Å; V570-S592 CarbonylContact C-O 3.26Å; V570-S592 VanDerWaalsContact CA-O 3.23Å; V570-S592 WeakPolarHBondContact CA-O 3.3Å; V570-F593 HydrophobicContact CB-CB 4.27Å; V570-F593 HydrophobicContact CG1-CB 4.46Å; V570-F593 HydrophobicContact CG2-CB 3.87Å
571	S	87.9	Confident	82.3	Confident	16 Å²	16	37.2 Å²	37.2	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150	-173.8	-62.9	0	0	0	0	110.2	D569 I591 S592	D569-S571 PolarHBondContact O-N 2.93Å; D569-S571 VanDerWaalsContact O-N 3.15Å; D569-S571 PolarHBondContact O-OG 3.08Å; S571-I591 WeakPolarHBondContact O-CA 3.47Å; S571-S592 PolarHBondContact N-O 3.01Å; S571-S592 PolarHBondContact O-N 2.87Å
572	T	89.9	Confident	80.6	Confident	49 Å²	49	42.5 Å²	42.5	30%	0.301	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.1	175.8	61.5	0	0	0	0	111.2	E546 V548 A590 I591	E546-T572 HydrophobicContact CG-CG2 3.4Å; V548-T572 HydrophobicContact CB-CG2 4.25Å; T572-A590 CarbonylContact C-O 3.49Å; T572-A590 VanDerWaalsContact CA-O 3.25Å; T572-A590 WeakPolarHBondContact CA-O 3.38Å; T572-I591 HydrophobicContact CG2-CG1 4.2Å
573	G	89.7	Confident	79.2	Confident	4 Å²	4	44.9 Å²	44.9	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.4	176.6	0	0	0	0	0	110.9	T589 A590	G573-T589 CarbonylContact O-C 3.6Å; G573-T589 WeakPolarHBondContact O-CA 3.25Å; G573-A590 PolarHBondContact N-O 3.09Å; G573-A590 PolarHBondContact O-N 3.02Å
574	I	90.4	Very high	77.8	Confident	85 Å²	85	44.9 Å²	44.9	44%	0.436	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.7	176.2	-61.6	178	0	0	0	108.7	V548 L550 G588 T589	V548-I574 HydrophobicContact CG2-CD1 3.64Å; V548-I574 HydrophobicContact CG2-CG1 3.56Å; L550-I574 HydrophobicContact CB-CG2 3.84Å; L550-I574 HydrophobicContact CD1-CG2 3.77Å; L550-I574 HydrophobicContact CD2-CG2 3.83Å; L550-I574 HydrophobicContact CG-CG2 3.99Å; I574-G588 WeakPolarHBondContact CA-O 3.39Å; I574-T589 HydrophobicContact CG1-CG2 4.39Å
575	V	90.4	Very high	77.2	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.9	172.4	179.4	0	0	0	0	109.5	L550 T577 G587 G588 R627 L628	L550-V575 VanDerWaalsContact CD2-O 3.32Å; L550-V575 WeakPolarHBondContact CD2-O 3.47Å; V575-T577 HydrophobicContact CG1-CG2 4.28Å; V575-G587 CarbonylContact O-C 3.59Å; V575-G587 VanDerWaalsContact O-CA 3.23Å; V575-G587 WeakPolarHBondContact O-CA 3.29Å; V575-G588 PolarHBondContact N-O 3.23Å; V575-G588 PolarHBondContact O-N 3.41Å; V575-R627 HydrophobicContact CG1-CB 4.17Å; V575-R627 VanDerWaalsContact CG1-CZ 3.41Å; V575-R627 HydrophobicContact CG2-CB 4.24Å; V575-L628 HydrophobicContact CG2-CB 3.7Å; V575-L628 HydrophobicContact CG2-CD1 4.31Å; V575-L628 HydrophobicContact CG2-CG 4.13Å
576	K	89.2	Confident	77.5	Confident	91 Å²	91	47.8 Å²	47.8	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.3	170.5	-61.2	-179.8	-176.7	178.2	0	109.1	L550 G581 R627	L550-K576 HydrophobicContact CD1-CD 4.21Å; L550-K576 HydrophobicContact CD1-CG 3.68Å; L550-K576 HydrophobicContact CD2-CG 4.11Å; K576-G581 WeakPolarHBondContact O-CA 3.27Å; K576-R627 VanDerWaalsContact O-CZ 3.32Å; K576-R627 PolarHBondContact O-NH1 2.86Å; K576-R627 PolarHBondContact O-NH2 2.82Å
577	T	82.7	Confident	77.7	Confident	15 Å²	15	46.7 Å²	46.7	9%	0.092	27%	0.272	C	S	.	.			trans	-112.3	-24.8	177.7	61.8	0	0	0	0	113.3	V575 G581 K586 G587 D620	V575-T577 HydrophobicContact CG1-CG2 4.28Å; T577-G581 PolarHBondContact O-N 3.23Å; T577-K586 PolarHBondContact N-O 3.15Å; T577-K586 PolarHBondContact OG1-O 3.39Å; T577-G587 WeakPolarHBondContact OG1-CA 3.23Å; T577-G587 PolarHBondContact OG1-N 2.62Å; T577-D620 WeakPolarHBondContact CB-OD1 3.4Å; T577-D620 HydrophobicContact CG2-CB 4.49Å; T577-D620 PolarHBondContact OG1-OD1 3.02Å
578	G	68	Low	77.9	Confident	11 Å²	11	46.4 Å²	46.4	11%	0.113	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.5	148.1	177.3	0	0	0	0	0	114.2	G580 G581 M583	G578-G580 PolarHBondContact O-N 3.15Å; G578-G581 WeakPolarHBondContact O-CA 3.5Å; G578-G581 PolarHBondContact O-N 2.88Å; G578-M583 CarbonylContact C-O 3.57Å
579	F	64.1	Low	78.3	Confident	178 Å²	178	45.6 Å²	45.6	78%	0.781	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	45.6	49.9	178.5	-66.4	-87.8	0	0	0	114.3	G581 T582 M583	F579-G581 PolarHBondContact O-N 3.07Å; F579-T582 PolarHBondContact O-OG1 2.83Å; F579-T582 VanDerWaalsContact O-OG1 3.08Å; F579-M583 WeakPolarHBondContact CB-O 3.4Å; F579-M583 WeakPolarHBondContact CD2-O 3.48Å
580	G	57.6	Low	79.1	Confident	83 Å²	83	43.1 Å²	43.1	86%	0.856	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	68.1	21.5	-179.1	0	0	0	0	0	113.7	G578	G578-G580 PolarHBondContact O-N 3.15Å
581	G	58.6	Low	79.4	Confident	21 Å²	21	42.4 Å²	42.4	22%	0.216	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	85.1	1.3	175.8	0	0	0	0	0	115.9	K576 T577 G578 F579	K576-G581 WeakPolarHBondContact O-CA 3.27Å; T577-G581 PolarHBondContact O-N 3.23Å; G578-G581 WeakPolarHBondContact O-CA 3.5Å; G578-G581 PolarHBondContact O-N 2.88Å; F579-G581 PolarHBondContact O-N 3.07Å
582	T	49.7	Very low	79.7	Confident	110 Å²	110	41.8 Å²	41.8	68%	0.675	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-36.1	-177.5	57.5	0	0	0	0	112.9	F579	F579-T582 PolarHBondContact O-OG1 2.83Å; F579-T582 VanDerWaalsContact O-OG1 3.08Å
583	M	56.7	Low	79.9	Confident	134 Å²	134	39.5 Å²	39.5	66%	0.66	23%	0.231	S	C	*	.	S	Bend	trans	-151.8	136.9	179.2	-67	-176.8	106.8	0	0	109.3	G578 F579	G578-M583 CarbonylContact C-O 3.57Å; F579-M583 WeakPolarHBondContact CB-O 3.4Å; F579-M583 WeakPolarHBondContact CD2-O 3.48Å
584	G	61.1	Low	80	Confident	16 Å²	16	39.6 Å²	39.6	17%	0.165	23%	0.231	C	C	.	.			trans	174.1	150.5	176.2	0	0	0	0	0	114.6
585	N	74	Confident	80.1	Confident	46 Å²	46	35.5 Å²	35.5	25%	0.246	21%	0.21	C	C	.	.	S	Bend	trans	-81.1	-2.2	166.2	61.2	-35.6	0	0	0	113	L512 V551	L512-N585 HydrophobicContact CD1-CB 3.78Å; L512-N585 WeakPolarHBondContact CD1-ND2 3.03Å; L512-N585 HydrophobicContact CD2-CB 3.62Å; L512-N585 HydrophobicContact CG-CB 4.38Å; V551-N585 HydrophobicContact CG1-CB 4.43Å
586	K	86.9	Confident	80	Confident	24 Å²	24	36.6 Å²	36.6	10%	0.104	21%	0.214	C	C	.	.			trans	-108.3	148.1	-179.3	-59.4	-62.9	-171.5	-118.1	0	111.4	T577 H606 F607	T577-K586 PolarHBondContact N-O 3.15Å; T577-K586 PolarHBondContact OG1-O 3.39Å; K586-H606 WeakPolarHBondContact CA-O 3.44Å; K586-H606 WeakPolarHBondContact CB-O 3.39Å; K586-H606 HydrophobicContact CD-CB 4.36Å; K586-H606 VanDerWaalsContact CD-O 3.28Å; K586-H606 WeakPolarHBondContact CD-O 3.2Å; K586-H606 PolarHBondContact NZ-CE1 2.96Å; K586-H606 PolarHBondContact NZ-NE2 3.48Å; K586-F607 WeakPolarHBondContact CD-O 3.43Å; K586-F607 VanDerWaalsContact CE-O 3.26Å; K586-F607 WeakPolarHBondContact CE-O 3.46Å
587	G	90.2	Very high	80	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-152.9	-179.5	0	0	0	0	0	112.4	I553 V575 T577 S605 H606	I553-G587 WeakPolarHBondContact CD1-O 3.43Å; V575-G587 CarbonylContact O-C 3.59Å; V575-G587 VanDerWaalsContact O-CA 3.23Å; V575-G587 WeakPolarHBondContact O-CA 3.29Å; T577-G587 WeakPolarHBondContact OG1-CA 3.23Å; T577-G587 PolarHBondContact OG1-N 2.62Å; G587-S605 VanDerWaalsContact O-CA 3.26Å; G587-S605 WeakPolarHBondContact O-CA 3.31Å; G587-S605 WeakPolarHBondContact O-CB 3.24Å; G587-H606 PolarHBondContact N-O 2.88Å; G587-H606 VanDerWaalsContact N-O 3.1Å; G587-H606 PolarHBondContact O-N 2.82Å
588	G	93.2	Very high	80.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.7	-177.7	0	0	0	0	0	112.8	I574 V575 C604	I574-G588 WeakPolarHBondContact CA-O 3.39Å; V575-G588 PolarHBondContact N-O 3.23Å; V575-G588 PolarHBondContact O-N 3.41Å; G588-C604 CarbonylContact C-O 3.5Å; G588-C604 WeakPolarHBondContact CA-O 3.46Å
589	T	94.7	Very high	81.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.5	167	64.4	0	0	0	0	109.5	V548 L550 I553 G573 I574 L603 C604	V548-T589 HydrophobicContact CG1-CG2 4.48Å; V548-T589 HydrophobicContact CG2-CG2 4.39Å; L550-T589 HydrophobicContact CB-CG2 3.52Å; I553-T589 HydrophobicContact CB-CG2 4.37Å; I553-T589 HydrophobicContact CG2-CG2 4.09Å; G573-T589 CarbonylContact O-C 3.6Å; G573-T589 WeakPolarHBondContact O-CA 3.25Å; I574-T589 HydrophobicContact CG1-CG2 4.39Å; T589-L603 CarbonylContact O-C 3.54Å; T589-L603 VanDerWaalsContact O-CA 3.3Å; T589-L603 WeakPolarHBondContact O-CA 3.42Å; T589-C604 PolarHBondContact N-O 3.17Å; T589-C604 PolarHBondContact O-N 3.48Å
590	A	96.9	Very high	83.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.5	178	0	0	0	0	0	112.3	T572 G573 F602 L603 L628 F630	T572-A590 CarbonylContact C-O 3.49Å; T572-A590 VanDerWaalsContact CA-O 3.25Å; T572-A590 WeakPolarHBondContact CA-O 3.38Å; G573-A590 PolarHBondContact N-O 3.09Å; G573-A590 PolarHBondContact O-N 3.02Å; A590-F602 CarbonylContact C-O 2.7Å; A590-F602 WeakPolarHBondContact CA-O 3.37Å; A590-L603 HydrophobicContact CB-CD2 4.43Å; A590-L603 HydrophobicContact CB-CG 3.88Å; A590-L628 HydrophobicContact CB-CD1 3.55Å; A590-L628 HydrophobicContact CB-CD2 4.07Å; A590-L628 HydrophobicContact CB-CG 4.41Å; A590-F630 HydrophobicContact CB-CE1 4.01Å; A590-F630 HydrophobicContact CB-CZ 3.8Å
591	I	95.6	Very high	85	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.7	167.6	-63.2	177.7	0	0	0	106.9	E546 V548 L555 V557 V570 S571 T572 F593 F602	E546-I591 HydrophobicContact CB-CD1 4.08Å; E546-I591 HydrophobicContact CB-CG2 4.07Å; E546-I591 HydrophobicContact CG-CD1 4.22Å; E546-I591 HydrophobicContact CG-CG1 4.43Å; E546-I591 HydrophobicContact CG-CG2 4.47Å; E546-I591 WeakPolarHBondContact O-CD1 3.45Å; V548-I591 HydrophobicContact CB-CG1 4.37Å; V548-I591 HydrophobicContact CG1-CD1 3.97Å; V548-I591 HydrophobicContact CG1-CG1 3.61Å; L555-I591 HydrophobicContact CD2-CB 4.15Å; L555-I591 HydrophobicContact CD2-CD1 4.23Å; L555-I591 HydrophobicContact CD2-CG1 3.89Å; L555-I591 HydrophobicContact CG-CD1 3.95Å; L555-I591 HydrophobicContact CG-CG1 4.18Å; V557-I591 HydrophobicContact CB-CD1 4.44Å; V557-I591 HydrophobicContact CB-CG2 4.43Å; V557-I591 HydrophobicContact CG2-CB 4.08Å; V557-I591 HydrophobicContact CG2-CD1 3.97Å; V557-I591 HydrophobicContact CG2-CG2 4.03Å; V570-I591 HydrophobicContact CG1-CG2 4.44Å; S571-I591 WeakPolarHBondContact O-CA 3.47Å; T572-I591 HydrophobicContact CG2-CG1 4.2Å; I591-F593 HydrophobicContact CG2-CD1 4.46Å; I591-F602 PolarHBondContact N-O 2.94Å; I591-F602 PolarHBondContact O-N 2.9Å
592	S	95.2	Very high	86.9	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.7	171.5	71	0	0	0	0	111.8	V570 S571 L600 F630 H639	V570-S592 CarbonylContact C-O 3.26Å; V570-S592 VanDerWaalsContact CA-O 3.23Å; V570-S592 WeakPolarHBondContact CA-O 3.3Å; S571-S592 PolarHBondContact N-O 3.01Å; S571-S592 PolarHBondContact O-N 2.87Å; S592-L600 CarbonylContact C-O 3.54Å; S592-L600 WeakPolarHBondContact CA-O 3.45Å; S592-L600 WeakPolarHBondContact CB-O 3.38Å; S592-F630 WeakPolarHBondContact OG-CD1 3.42Å; S592-F630 WeakPolarHBondContact OG-CE1 3.5Å; S592-H639 WeakPolarHBondContact CB-NE2 3.36Å; S592-H639 PolarHBondContact OG-NE2 2.81Å
593	F	93.2	Very high	89.2	Confident	2 Å²	2	12.5 Å²	12.5	1%	0.009	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	163	174.2	58.4	-84.4	0	0	0	110.3	I501 V557 V567 R568 V570 I591 L595 L600 F602	I501-F593 HydrophobicContact CD1-CZ 4.28Å; V557-F593 HydrophobicContact CG1-CE1 3.85Å; V557-F593 HydrophobicContact CG1-CZ 4.26Å; V567-F593 HydrophobicContact CG1-CB 4.11Å; V567-F593 HydrophobicContact CG1-CD2 3.84Å; V567-F593 HydrophobicContact CG1-CG 4.12Å; V567-F593 HydrophobicContact CG2-CD2 4.23Å; V567-F593 HydrophobicContact CG2-CE2 4.29Å; R568-F593 CarbonylContact O-C 3.51Å; R568-F593 WeakPolarHBondContact O-CA 3.49Å; R568-F593 WeakPolarHBondContact O-CB 3.44Å; V570-F593 HydrophobicContact CB-CB 4.27Å; V570-F593 HydrophobicContact CG1-CB 4.46Å; V570-F593 HydrophobicContact CG2-CB 3.87Å; I591-F593 HydrophobicContact CG2-CD1 4.46Å; F593-L595 HydrophobicContact CD2-CB 4.27Å; F593-L595 HydrophobicContact CE2-CB 4.04Å; F593-L600 HydrophobicContact CE2-CD1 3.82Å; F593-L600 HydrophobicContact CZ-CB 4.35Å; F593-L600 HydrophobicContact CZ-CD1 3.86Å; F593-L600 PolarHBondContact N-O 2.87Å; F593-L600 PolarHBondContact O-N 2.83Å; F593-F602 AromaticContact CE1-CD2 3.93Å; F593-F602 HydrophobicContact CE1-CD2 3.93Å; F593-F602 AromaticContact CE1-CE2 3.48Å; F593-F602 HydrophobicContact CE1-CE2 3.48Å; F593-F602 VanDerWaalsContact CE1-CE2 3.48Å; F593-F602 AromaticContact CZ-CE2 3.8Å; F593-F602 HydrophobicContact CZ-CE2 3.8Å
594	T	91.2	Very high	91.2	Very high	5 Å²	5	6.1 Å²	6.1	3%	0.031	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.6	167.9	-55.2	0	0	0	0	108.7	S406 V567 R568 D569 F596 T598	S406-T594 PolarHBondContact OG-OG1 2.83Å; S406-T594 VanDerWaalsContact OG-OG1 3.13Å; V567-T594 CarbonylContact C-O 3.52Å; V567-T594 WeakPolarHBondContact CA-O 3.2Å; R568-T594 PolarHBondContact N-O 2.98Å; R568-T594 PolarHBondContact O-N 3.08Å; D569-T594 PolarHBondContact OD2-OG1 3.14Å; T594-F596 WeakPolarHBondContact CG2-O 3.47Å; T594-T598 CarbonylContact C-O 2.96Å; T594-T598 WeakPolarHBondContact CA-O 3.37Å
595	L	92.2	Very high	92.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.3	168.2	179	61	0	0	0	108.7	L454 I501 L563 H566 V567 F593 S597 T598 L600 I766	L454-L595 HydrophobicContact CD1-CD2 3.6Å; I501-L595 HydrophobicContact CD1-CD2 3.92Å; L563-L595 HydrophobicContact CB-CD1 4.07Å; L563-L595 HydrophobicContact CD1-CD2 4.43Å; L563-L595 HydrophobicContact CD2-CD1 4.46Å; H566-L595 HydrophobicContact CB-CD1 3.99Å; V567-L595 HydrophobicContact CG2-CD1 3.9Å; F593-L595 HydrophobicContact CD2-CB 4.27Å; F593-L595 HydrophobicContact CE2-CB 4.04Å; L595-S597 PolarHBondContact O-N 3.47Å; L595-T598 PolarHBondContact N-O 3.19Å; L595-T598 PolarHBondContact O-N 3.32Å; L595-L600 HydrophobicContact CB-CD1 4.37Å; L595-I766 HydrophobicContact CD2-CG2 4.4Å; L595-I766 HydrophobicContact CG-CG2 4.32Å
596	F	89.3	Confident	94	Very high	29 Å²	29	3.3 Å²	3.3	13%	0.127	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-106.5	-168.5	-58.9	-75.3	0	0	0	111.5	L563 H566 R568 T594 I766 Q767 K768	L563-F596 HydrophobicContact CD2-CE2 4.11Å; L563-F596 HydrophobicContact CD2-CZ 4.34Å; H566-F596 HydrophobicContact CB-CD1 3.7Å; H566-F596 HydrophobicContact CB-CE1 3.67Å; H566-F596 HydrophobicContact CB-CE2 4.47Å; H566-F596 HydrophobicContact CB-CG 4.13Å; H566-F596 HydrophobicContact CB-CZ 4.06Å; H566-F596 AromaticContact CD2-CE1 3.23Å; H566-F596 WeakPolarHBondContact CD2-CE1 3.44Å; H566-F596 AromaticContact CD2-CZ 3.47Å; H566-F596 VanDerWaalsContact CD2-CZ 3.47Å; H566-F596 WeakPolarHBondContact CD2-CZ 3.47Å; H566-F596 AromaticContact CE1-CE1 3.63Å; H566-F596 AromaticContact CG-CD1 3.58Å; H566-F596 AromaticContact CG-CE1 3.15Å; H566-F596 AromaticContact CG-CZ 3.73Å; H566-F596 AromaticContact ND1-CD1 3.72Å; H566-F596 AromaticContact ND1-CE1 3.43Å; H566-F596 WeakPolarHBondContact ND1-CE1 3.28Å; H566-F596 AromaticContact NE2-CE1 3.52Å; H566-F596 AromaticContact NE2-CZ 3.99Å; H566-F596 PolarHBondContact O-N 3.19Å; H566-F596 VanDerWaalsContact O-N 3.1Å; R568-F596 PolarHBondContact NH2-O 3.43Å; T594-F596 WeakPolarHBondContact CG2-O 3.47Å; F596-I766 HydrophobicContact CB-CG2 4.48Å; F596-I766 HydrophobicContact CD2-CG2 3.74Å; F596-Q767 VanDerWaalsContact CB-O 3.29Å; F596-Q767 WeakPolarHBondContact CB-O 3.2Å; F596-K768 HydrophobicContact CB-CB 4.26Å; F596-K768 HydrophobicContact CB-CG 4.43Å; F596-K768 HydrophobicContact CD1-CB 4.45Å; F596-K768 HydrophobicContact CD1-CD 3.91Å; F596-K768 HydrophobicContact CD1-CG 3.96Å; F596-K768 HydrophobicContact CE1-CD 3.98Å; F596-K768 HydrophobicContact CG-CB 4.33Å; F596-K768 HydrophobicContact CG-CG 4.33Å
597	S	88.4	Confident	94.4	Very high	3 Å²	3	2.2 Å²	2.2	2%	0.021	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	11.6	179.4	-58.4	0	0	0	0	113.1	S406 I407 L595 Q767 M769	S406-S597 VanDerWaalsContact O-CA 3.3Å; S406-S597 WeakPolarHBondContact O-CA 3.06Å; I407-S597 PolarHBondContact O-OG 3.34Å; L595-S597 PolarHBondContact O-N 3.47Å; S597-Q767 WeakPolarHBondContact CA-O 2.94Å; S597-Q767 WeakPolarHBondContact CB-O 3.45Å; S597-Q767 PolarHBondContact N-O 3.49Å; S597-M769 PolarHBondContact OG-N 3.43Å
598	T	91.8	Very high	94.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.4	-178.2	-62.2	0	0	0	0	111.7	T594 L595 L600 D640 F641 I766 Q767	T594-T598 CarbonylContact C-O 2.96Å; T594-T598 WeakPolarHBondContact CA-O 3.37Å; L595-T598 PolarHBondContact N-O 3.19Å; L595-T598 PolarHBondContact O-N 3.32Å; T598-L600 HydrophobicContact CG2-CD2 3.99Å; T598-D640 HydrophobicContact CG2-CB 4.03Å; T598-F641 HydrophobicContact CG2-CD2 3.58Å; T598-F641 HydrophobicContact CG2-CE2 3.58Å; T598-I766 HydrophobicContact CG2-CD1 3.93Å; T598-Q767 WeakPolarHBondContact OG1-CB 3.26Å; T598-Q767 PolarHBondContact OG1-N 3.36Å
599	S	92.6	Very high	94.5	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.007	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.4	177.6	57.9	0	0	0	0	111.7	H639 D640 F641	S599-H639 VanDerWaalsContact OG-CA 3.25Å; S599-H639 WeakPolarHBondContact OG-CA 3.3Å; S599-D640 PolarHBondContact N-OD2 2.89Å; S599-D640 WeakPolarHBondContact O-CB 3.47Å; S599-D640 PolarHBondContact O-N 2.67Å; S599-D640 PolarHBondContact OG-N 3.47Å; S599-D640 PolarHBondContact OG-OD2 2.9Å; S599-F641 PolarHBondContact O-N 2.84Å; S599-F641 VanDerWaalsContact O-N 3.1Å
600	L	96.7	Very high	94.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.5	-178	-57.5	176.7	0	0	0	110.2	I456 I501 S592 F593 L595 T598 F602 F641 F643 I766	I456-L600 HydrophobicContact CD1-CD1 4.32Å; I501-L600 HydrophobicContact CD1-CD1 3.79Å; S592-L600 CarbonylContact C-O 3.54Å; S592-L600 WeakPolarHBondContact CA-O 3.45Å; S592-L600 WeakPolarHBondContact CB-O 3.38Å; F593-L600 HydrophobicContact CE2-CD1 3.82Å; F593-L600 HydrophobicContact CZ-CB 4.35Å; F593-L600 HydrophobicContact CZ-CD1 3.86Å; F593-L600 PolarHBondContact N-O 2.87Å; F593-L600 PolarHBondContact O-N 2.83Å; L595-L600 HydrophobicContact CB-CD1 4.37Å; T598-L600 HydrophobicContact CG2-CD2 3.99Å; L600-F602 HydrophobicContact CB-CE2 3.84Å; L600-F602 HydrophobicContact CB-CZ 4.33Å; L600-F602 HydrophobicContact CD1-CE2 4.42Å; L600-F602 HydrophobicContact CD1-CZ 4.42Å; L600-F641 HydrophobicContact CD2-CB 3.85Å; L600-F641 HydrophobicContact CD2-CD2 3.73Å; L600-F641 HydrophobicContact CD2-CG 4.18Å; L600-F643 HydrophobicContact CD2-CE2 4.45Å; L600-I766 HydrophobicContact CD1-CD1 4.32Å; L600-I766 HydrophobicContact CD2-CD1 4.15Å
601	C	97.3	Very high	94	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.9	176.9	-173.8	0	0	0	0	110.4	L603 H639 F641 V642 F643	C601-L603 VanDerWaalsContact SG-CD1 3.54Å; C601-H639 HydrophobicContact CB-CB 3.94Å; C601-F641 PolarHBondContact N-O 2.82Å; C601-V642 HydrophobicContact CB-CG2 4.16Å; C601-V642 CarbonylContact O-C 3.54Å; C601-V642 VanDerWaalsContact O-CA 3.3Å; C601-V642 WeakPolarHBondContact O-CA 3.47Å; C601-F643 PolarHBondContact O-N 3.24Å
602	F	98.5	Very high	93.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.8	178.5	-59.6	-87	0	0	0	109	I456 I501 A503 L555 V557 A590 I591 F593 L600 F643 F645	I456-F602 HydrophobicContact CD1-CZ 4.36Å; I456-F602 HydrophobicContact CG2-CE1 3.8Å; I456-F602 HydrophobicContact CG2-CZ 4.12Å; I501-F602 HydrophobicContact CG2-CZ 4.14Å; A503-F602 HydrophobicContact CB-CB 4.29Å; A503-F602 HydrophobicContact CB-CD1 3.27Å; A503-F602 HydrophobicContact CB-CE1 3.68Å; A503-F602 HydrophobicContact CB-CG 3.83Å; L555-F602 HydrophobicContact CD2-CB 4.19Å; L555-F602 VanDerWaalsContact CD2-O 3.26Å; L555-F602 WeakPolarHBondContact CD2-O 3.43Å; V557-F602 HydrophobicContact CG2-CB 4.32Å; V557-F602 HydrophobicContact CG2-CD2 4.03Å; V557-F602 HydrophobicContact CG2-CG 4.21Å; A590-F602 CarbonylContact C-O 2.7Å; A590-F602 WeakPolarHBondContact CA-O 3.37Å; I591-F602 PolarHBondContact N-O 2.94Å; I591-F602 PolarHBondContact O-N 2.9Å; F593-F602 AromaticContact CE1-CD2 3.93Å; F593-F602 HydrophobicContact CE1-CD2 3.93Å; F593-F602 AromaticContact CE1-CE2 3.48Å; F593-F602 HydrophobicContact CE1-CE2 3.48Å; F593-F602 VanDerWaalsContact CE1-CE2 3.48Å; F593-F602 AromaticContact CZ-CE2 3.8Å; F593-F602 HydrophobicContact CZ-CE2 3.8Å; L600-F602 HydrophobicContact CB-CE2 3.84Å; L600-F602 HydrophobicContact CB-CZ 4.33Å; L600-F602 HydrophobicContact CD1-CE2 4.42Å; L600-F602 HydrophobicContact CD1-CZ 4.42Å; F602-F643 CarbonylContact C-O 3.51Å; F602-F643 WeakPolarHBondContact CA-O 3.41Å; F602-F643 HydrophobicContact CD1-CB 3.77Å; F602-F643 AromaticContact CD1-CD2 3.86Å; F602-F643 HydrophobicContact CD1-CD2 3.86Å; F602-F643 HydrophobicContact CD1-CG 4.09Å; F602-F643 HydrophobicContact CE1-CB 4.13Å; F602-F643 AromaticContact CE1-CD2 3.44Å; F602-F643 HydrophobicContact CE1-CD2 3.44Å; F602-F643 VanDerWaalsContact CE1-CD2 3.44Å; F602-F643 HydrophobicContact CE1-CE2 4.12Å; F602-F643 AromaticContact CE1-CG 3.92Å; F602-F643 HydrophobicContact CE1-CG 3.92Å; F602-F643 AromaticContact CZ-CD2 3.99Å; F602-F643 HydrophobicContact CZ-CD2 3.99Å; F602-F643 HydrophobicContact CZ-CE2 4.36Å; F602-F645 HydrophobicContact CB-CE1 4.31Å; F602-F645 HydrophobicContact CB-CZ 4.41Å; F602-F645 HydrophobicContact CD1-CE1 4.21Å
603	L	98.2	Very high	93.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.2	177.8	-66.4	89.3	0	0	0	110.5	T589 A590 C601 L628 V636 V642 F643 W644 F645	T589-L603 CarbonylContact O-C 3.54Å; T589-L603 VanDerWaalsContact O-CA 3.3Å; T589-L603 WeakPolarHBondContact O-CA 3.42Å; A590-L603 HydrophobicContact CB-CD2 4.43Å; A590-L603 HydrophobicContact CB-CG 3.88Å; C601-L603 VanDerWaalsContact SG-CD1 3.54Å; L603-L628 HydrophobicContact CD2-CD1 4.13Å; L603-V636 HydrophobicContact CD1-CG1 4.03Å; L603-V636 HydrophobicContact CD2-CG1 4.34Å; L603-V636 HydrophobicContact CD2-CG2 4.07Å; L603-V642 HydrophobicContact CD1-CG1 3.48Å; L603-V642 VanDerWaalsContact CD1-CG1 3.48Å; L603-F643 PolarHBondContact N-O 2.83Å; L603-W644 HydrophobicContact CB-CB 4.26Å; L603-W644 HydrophobicContact CB-CD2 4.2Å; L603-W644 HydrophobicContact CB-CG 3.76Å; L603-W644 HydrophobicContact CD2-CD2 4Å; L603-W644 HydrophobicContact CD2-CE3 4.26Å; L603-W644 HydrophobicContact CD2-CG 4.44Å; L603-W644 HydrophobicContact CD2-CZ2 4.3Å; L603-F645 PolarHBondContact O-N 3.49Å; L603-F645 VanDerWaalsContact O-O 3.1Å
604	C	98	Very high	94	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.4	168.8	-179.7	0	0	0	0	108.4	G505 Q507 I553 L555 G588 T589 F645	G505-C604 VanDerWaalsContact CA-SG 3.52Å; Q507-C604 PolarHBondContact NE2-SG 3.38Å; I553-C604 HydrophobicContact CG2-CB 4.31Å; L555-C604 HydrophobicContact CB-CB 3.89Å; L555-C604 HydrophobicContact CD1-CB 4.19Å; L555-C604 HydrophobicContact CD2-CB 4.38Å; L555-C604 HydrophobicContact CG-CB 4.37Å; G588-C604 CarbonylContact C-O 3.5Å; G588-C604 WeakPolarHBondContact CA-O 3.46Å; T589-C604 PolarHBondContact N-O 3.17Å; T589-C604 PolarHBondContact O-N 3.48Å; C604-F645 CarbonylContact C-O 3.46Å; C604-F645 WeakPolarHBondContact CA-O 3.23Å; C604-F645 HydrophobicContact CB-CD2 4.49Å; C604-F645 HydrophobicContact CB-CE2 4.22Å
605	S	97.3	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	157	178.1	-57.5	0	0	0	0	113.4	G587 W644 F645 G646 D647	G587-S605 VanDerWaalsContact O-CA 3.26Å; G587-S605 WeakPolarHBondContact O-CA 3.31Å; G587-S605 WeakPolarHBondContact O-CB 3.24Å; S605-W644 PolarHBondContact OG-NE1 2.81Å; S605-F645 PolarHBondContact N-O 3.1Å; S605-G646 VanDerWaalsContact O-CA 3.24Å; S605-G646 WeakPolarHBondContact O-CA 3.32Å; S605-D647 PolarHBondContact O-N 2.96Å; S605-D647 VanDerWaalsContact O-N 3.09Å
606	H	95.8	Very high	94.2	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	105.2	170	-171.5	172.6	0	0	0	107.4	Q507 E508 I553 K586 G587 D647 N649	Q507-H606 HydrophobicContact CB-CB 4.34Å; Q507-H606 HydrophobicContact CG-CB 3.91Å; E508-H606 IonicContact OE1-CE1 3.99Å; E508-H606 PolarHBondContact OE1-CE1 3.24Å; E508-H606 VanDerWaalsContact OE1-CE1 3.31Å; E508-H606 IonicContact OE1-NE2 2.63Å; I553-H606 HydrophobicContact CD1-CB 3.57Å; I553-H606 HydrophobicContact CG1-CB 3.78Å; K586-H606 WeakPolarHBondContact CA-O 3.44Å; K586-H606 WeakPolarHBondContact CB-O 3.39Å; K586-H606 HydrophobicContact CD-CB 4.36Å; K586-H606 VanDerWaalsContact CD-O 3.28Å; K586-H606 WeakPolarHBondContact CD-O 3.2Å; K586-H606 PolarHBondContact NZ-CE1 2.96Å; K586-H606 PolarHBondContact NZ-NE2 3.48Å; G587-H606 PolarHBondContact N-O 2.88Å; G587-H606 VanDerWaalsContact N-O 3.1Å; G587-H606 PolarHBondContact O-N 2.82Å; H606-D647 WeakPolarHBondContact CA-O 3.3Å; H606-D647 IonicContact CD2-OD2 2.87Å; H606-D647 IonicContact NE2-OD2 4Å; H606-N649 PolarHBondContact NE2-ND2 2.91Å
607	F	95.6	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-90.3	170.9	-178	-58.9	-22.6	0	0	0	112.3	K586 A609 R617 D620 W644 D647 F648 N649 Y650 F687	K586-F607 WeakPolarHBondContact CD-O 3.43Å; K586-F607 VanDerWaalsContact CE-O 3.26Å; K586-F607 WeakPolarHBondContact CE-O 3.46Å; F607-A609 PolarHBondContact O-N 3.1Å; F607-R617 HydrophobicContact CB-CB 4.43Å; F607-R617 HydrophobicContact CB-CG 4.01Å; F607-D620 WeakPolarHBondContact CA-OD2 3.41Å; F607-D620 HydrophobicContact CB-CB 4.16Å; F607-D620 HydrophobicContact CD1-CB 3.65Å; F607-D620 HydrophobicContact CE1-CB 4.22Å; F607-D620 HydrophobicContact CG-CB 3.98Å; F607-W644 HydrophobicContact CE1-CZ2 4.49Å; F607-W644 HydrophobicContact CZ-CZ2 4.08Å; F607-D647 PolarHBondContact N-O 3.18Å; F607-F648 WeakPolarHBondContact CB-O 3.49Å; F607-F648 HydrophobicContact CD2-CB 3.65Å; F607-F648 AromaticContact CD2-CD1 3.75Å; F607-F648 HydrophobicContact CD2-CD1 3.75Å; F607-F648 AromaticContact CD2-CG 3.92Å; F607-F648 HydrophobicContact CD2-CG 3.92Å; F607-F648 HydrophobicContact CE1-CD1 4.47Å; F607-F648 HydrophobicContact CE2-CB 3.94Å; F607-F648 AromaticContact CE2-CD1 3.42Å; F607-F648 HydrophobicContact CE2-CD1 3.42Å; F607-F648 VanDerWaalsContact CE2-CD1 3.42Å; F607-F648 HydrophobicContact CE2-CD2 4.48Å; F607-F648 HydrophobicContact CE2-CE1 4.04Å; F607-F648 AromaticContact CE2-CG 3.7Å; F607-F648 HydrophobicContact CE2-CG 3.7Å; F607-F648 HydrophobicContact CG-CD1 4.38Å; F607-F648 AromaticContact CZ-CD1 3.83Å; F607-F648 HydrophobicContact CZ-CD1 3.83Å; F607-F648 HydrophobicContact CZ-CE1 4.05Å; F607-N649 PolarHBondContact O-ND2 3.07Å; F607-Y650 HydrophobicContact CD2-CE2 4.15Å; F607-Y650 HydrophobicContact CE2-CE2 4.43Å; F607-F687 HydrophobicContact CE2-CE2 4.21Å; F607-F687 HydrophobicContact CE2-CZ 4.13Å; F607-F687 HydrophobicContact CZ-CZ 4.29Å
608	S	93.5	Very high	94.9	Very high	20 Å²	20	27 Å²	27	14%	0.14	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-61.3	130.5	-176.4	-64	0	0	0	0	112.2	R617 D620 N649	S608-R617 WeakPolarHBondContact O-CG 3.42Å; S608-R617 PolarHBondContact O-NH1 2.93Å; S608-R617 VanDerWaalsContact O-NH1 3.14Å; S608-D620 VanDerWaalsContact CB-OD2 3.28Å; S608-D620 WeakPolarHBondContact CB-OD2 3.16Å; S608-D620 PolarHBondContact N-OD2 3.47Å; S608-D620 PolarHBondContact OG-OD2 3.31Å; S608-N649 WeakPolarHBondContact O-CB 3.25Å
609	A	91.7	Very high	95	Very high	52 Å²	52	31.1 Å²	31.1	43%	0.43	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-88	150.2	-177.2	0	0	0	0	0	111.6	F607	F607-A609 PolarHBondContact O-N 3.1Å
610	G	90.7	Very high	95.1	Very high	23 Å²	23	31.4 Å²	31.4	24%	0.237	18%	0.181	C	C	.	.	S	Bend	trans	130.7	143.6	174.9	0	0	0	0	0	112.7	S612 Q613 R617	G610-S612 VanDerWaalsContact C-N 3.33Å; G610-S612 PolarHBondContact O-N 2.79Å; G610-Q613 PolarHBondContact O-N 3.2Å; G610-R617 PolarHBondContact O-NH1 3.11Å; G610-R617 PolarHBondContact O-NH2 2.76Å
611	Q	91.7	Very high	95	Very high	54 Å²	54	32 Å²	32	25%	0.252	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-44.5	-175.8	-168.9	67	19.6	0	0	112.5	V652 Q676	Q611-V652 PolarHBondContact NE2-O 3.37Å; Q611-Q676 PolarHBondContact O-NE2 2.87Å
612	S	93.4	Very high	94.9	Very high	108 Å²	108	33.7 Å²	33.7	76%	0.755	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.1	-174.2	-46.7	0	0	0	0	114.7	G610 V614	G610-S612 VanDerWaalsContact C-N 3.33Å; G610-S612 PolarHBondContact O-N 2.79Å; S612-V614 PolarHBondContact O-N 2.92Å
613	Q	93.5	Very high	94.5	Very high	72 Å²	72	34.5 Å²	34.5	34%	0.336	20%	0.201	S	C	.	.			trans	-85.7	39.5	-172.2	-60.3	-65.3	31.2	0	0	114	G610 E616 R617	G610-Q613 PolarHBondContact O-N 3.2Å; Q613-E616 HydrophobicContact CB-CB 4.29Å; Q613-E616 PolarHBondContact NE2-OE1 3.16Å; Q613-E616 VanDerWaalsContact NE2-OE1 3.13Å; Q613-E616 PolarHBondContact NE2-OE2 3.48Å; Q613-E616 PolarHBondContact O-N 2.92Å; Q613-E616 VanDerWaalsContact OE1-CD 3.28Å; Q613-E616 PolarHBondContact OE1-OE1 2.73Å; Q613-R617 WeakPolarHBondContact O-CG 3.31Å; Q613-R617 PolarHBondContact O-N 3.39Å; Q613-R617 PolarHBondContact O-NH1 3.21Å
614	V	95.9	Very high	94.2	Very high	26 Å²	26	34.5 Å²	34.5	16%	0.158	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-46	-178.3	-179.6	0	0	0	0	110.9	S612 E616 R617 N618 Y650 Q676 Q680	S612-V614 PolarHBondContact O-N 2.92Å; V614-E616 PolarHBondContact O-N 3.01Å; V614-R617 PolarHBondContact O-N 3.33Å; V614-N618 PolarHBondContact O-N 2.83Å; V614-N618 PolarHBondContact O-OD1 3.18Å; V614-Y650 HydrophobicContact CG1-CE1 4.35Å; V614-Q676 HydrophobicContact CG2-CB 4.37Å; V614-Q676 VanDerWaalsContact CG2-CD 3.44Å; V614-Q676 HydrophobicContact CG2-CG 4.02Å; V614-Q680 HydrophobicContact CG1-CG 3.62Å
615	Q	95.1	Very high	94	Very high	117 Å²	117	36.5 Å²	36.5	55%	0.547	21%	0.208	S	C	.	.	H	α-helix	trans	-63.9	-41.6	179.9	-172.8	59.3	47.3	0	0	112.2	R617 N618 D619	Q615-R617 VanDerWaalsContact C-N 3.27Å; Q615-R617 PolarHBondContact O-N 3.36Å; Q615-N618 WeakPolarHBondContact O-CB 3.44Å; Q615-N618 PolarHBondContact O-N 3.15Å; Q615-N618 VanDerWaalsContact O-N 3.15Å; Q615-D619 PolarHBondContact NE2-OD1 2.97Å; Q615-D619 WeakPolarHBondContact O-CB 3.36Å; Q615-D619 PolarHBondContact O-N 2.83Å
616	E	93.5	Very high	93.6	Very high	83 Å²	83	42.3 Å²	42.3	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-61.6	-35.9	176.5	-65	-177.7	174.9	0	0	111.8	Q613 V614 D619 D620	Q613-E616 HydrophobicContact CB-CB 4.29Å; Q613-E616 PolarHBondContact NE2-OE1 3.16Å; Q613-E616 VanDerWaalsContact NE2-OE1 3.13Å; Q613-E616 PolarHBondContact NE2-OE2 3.48Å; Q613-E616 PolarHBondContact O-N 2.92Å; Q613-E616 VanDerWaalsContact OE1-CD 3.28Å; Q613-E616 PolarHBondContact OE1-OE1 2.73Å; V614-E616 PolarHBondContact O-N 3.01Å; E616-D619 PolarHBondContact O-N 3.35Å; E616-D620 WeakPolarHBondContact O-CB 3.23Å; E616-D620 VanDerWaalsContact O-CG 3.27Å; E616-D620 PolarHBondContact O-N 2.91Å
617	R	95.8	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-38.8	173.9	-71	-174.9	-78	-82.4	8	112.8	F607 S608 G610 Q613 V614 Q615 D619 D620 Y621 F648 N649 Y650	F607-R617 HydrophobicContact CB-CB 4.43Å; F607-R617 HydrophobicContact CB-CG 4.01Å; S608-R617 WeakPolarHBondContact O-CG 3.42Å; S608-R617 PolarHBondContact O-NH1 2.93Å; S608-R617 VanDerWaalsContact O-NH1 3.14Å; G610-R617 PolarHBondContact O-NH1 3.11Å; G610-R617 PolarHBondContact O-NH2 2.76Å; Q613-R617 WeakPolarHBondContact O-CG 3.31Å; Q613-R617 PolarHBondContact O-N 3.39Å; Q613-R617 PolarHBondContact O-NH1 3.21Å; V614-R617 PolarHBondContact O-N 3.33Å; Q615-R617 VanDerWaalsContact C-N 3.27Å; Q615-R617 PolarHBondContact O-N 3.36Å; R617-D619 VanDerWaalsContact C-N 3.31Å; R617-D620 PolarHBondContact O-N 3.19Å; R617-Y621 PolarHBondContact O-N 3.13Å; R617-F648 WeakPolarHBondContact CD-O 3.25Å; R617-N649 VanDerWaalsContact CD-C 3.43Å; R617-N649 PolarHBondContact NH1-O 3.2Å; R617-Y650 HydrophobicContact CB-CE1 3.9Å; R617-Y650 HydrophobicContact CB-CE2 4.06Å
618	N	96.2	Very high	93	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-44.1	172.7	-66.3	-6.6	0	0	0	110	V614 Q615 Y621 D622 Y650 Q680 I686	V614-N618 PolarHBondContact O-N 2.83Å; V614-N618 PolarHBondContact O-OD1 3.18Å; Q615-N618 WeakPolarHBondContact O-CB 3.44Å; Q615-N618 PolarHBondContact O-N 3.15Å; Q615-N618 VanDerWaalsContact O-N 3.15Å; N618-Y621 WeakPolarHBondContact O-CB 3.3Å; N618-Y621 PolarHBondContact O-N 3.43Å; N618-D622 WeakPolarHBondContact O-CB 3.32Å; N618-D622 PolarHBondContact O-N 2.88Å; N618-Y650 PolarHBondContact OD1-OH 2.96Å; N618-Q680 PolarHBondContact ND2-OE1 2.85Å; N618-I686 HydrophobicContact CB-CG2 3.86Å; N618-I686 VanDerWaalsContact OD1-CG2 3.31Å; N618-I686 WeakPolarHBondContact OD1-CG2 3.41Å
619	D	94	Very high	92.4	Very high	87 Å²	87	51.8 Å²	51.8	47%	0.465	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-36.5	176.9	-64.9	-15.5	0	0	0	112	Q615 E616 R617 G623	Q615-D619 PolarHBondContact NE2-OD1 2.97Å; Q615-D619 WeakPolarHBondContact O-CB 3.36Å; Q615-D619 PolarHBondContact O-N 2.83Å; E616-D619 PolarHBondContact O-N 3.35Å; R617-D619 VanDerWaalsContact C-N 3.31Å; D619-G623 WeakPolarHBondContact O-CA 3.5Å; D619-G623 PolarHBondContact O-N 3.41Å
620	D	94.4	Very high	92	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-46.6	173.1	-79.9	-36.1	0	0	0	111.5	T577 F607 S608 E616 R617 T624	T577-D620 WeakPolarHBondContact CB-OD1 3.4Å; T577-D620 HydrophobicContact CG2-CB 4.49Å; T577-D620 PolarHBondContact OG1-OD1 3.02Å; F607-D620 WeakPolarHBondContact CA-OD2 3.41Å; F607-D620 HydrophobicContact CB-CB 4.16Å; F607-D620 HydrophobicContact CD1-CB 3.65Å; F607-D620 HydrophobicContact CE1-CB 4.22Å; F607-D620 HydrophobicContact CG-CB 3.98Å; S608-D620 VanDerWaalsContact CB-OD2 3.28Å; S608-D620 WeakPolarHBondContact CB-OD2 3.16Å; S608-D620 PolarHBondContact N-OD2 3.47Å; S608-D620 PolarHBondContact OG-OD2 3.31Å; E616-D620 WeakPolarHBondContact O-CB 3.23Å; E616-D620 VanDerWaalsContact O-CG 3.27Å; E616-D620 PolarHBondContact O-N 2.91Å; R617-D620 PolarHBondContact O-N 3.19Å; D620-T624 VanDerWaalsContact O-CB 3.25Å; D620-T624 WeakPolarHBondContact O-CB 3.39Å; D620-T624 PolarHBondContact O-N 3.47Å; D620-T624 PolarHBondContact O-OG1 2.9Å
621	Y	95.8	Very high	90.9	Very high	13 Å²	13	53.2 Å²	53.2	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-54.1	174.6	162.6	-98.4	0	0	0	110.4	R617 N618 G623 T624 W625 W644 I686 F687	R617-Y621 PolarHBondContact O-N 3.13Å; N618-Y621 WeakPolarHBondContact O-CB 3.3Å; N618-Y621 PolarHBondContact O-N 3.43Å; Y621-G623 PolarHBondContact O-N 2.82Å; Y621-T624 PolarHBondContact O-N 3.39Å; Y621-T624 VanDerWaalsContact O-N 3.15Å; Y621-W625 AromaticContact CE1-CD1 3.77Å; Y621-W625 AromaticContact CE1-NE1 3.77Å; Y621-W625 AromaticContact CZ-CD1 3.83Å; Y621-W625 VanDerWaalsContact O-CD1 3.25Å; Y621-W625 PolarHBondContact O-N 2.98Å; Y621-W625 VanDerWaalsContact O-N 3.14Å; Y621-W644 HydrophobicContact CD2-CE3 4.4Å; Y621-W644 AromaticContact CD2-CH2 3.41Å; Y621-W644 HydrophobicContact CD2-CH2 3.41Å; Y621-W644 VanDerWaalsContact CD2-CH2 3.41Å; Y621-W644 HydrophobicContact CD2-CZ2 4Å; Y621-W644 AromaticContact CD2-CZ3 3.66Å; Y621-W644 HydrophobicContact CD2-CZ3 3.66Å; Y621-W644 HydrophobicContact CE2-CE3 4.01Å; Y621-W644 AromaticContact CE2-CH2 3.59Å; Y621-W644 HydrophobicContact CE2-CH2 3.59Å; Y621-W644 HydrophobicContact CE2-CZ2 4.49Å; Y621-W644 AromaticContact CE2-CZ3 3.31Å; Y621-W644 HydrophobicContact CE2-CZ3 3.31Å; Y621-W644 HydrophobicContact CG-CH2 4.35Å; Y621-I686 HydrophobicContact CD1-CB 3.94Å; Y621-I686 HydrophobicContact CD1-CG2 3.83Å; Y621-I686 HydrophobicContact CE1-CB 4.15Å; Y621-I686 HydrophobicContact CE1-CG2 4.41Å; Y621-I686 HydrophobicContact CG-CB 4.34Å; Y621-I686 HydrophobicContact CG-CG2 4.31Å; Y621-F687 AromaticContact CD2-CD1 4Å; Y621-F687 HydrophobicContact CD2-CD1 4Å; Y621-F687 AromaticContact CD2-CD2 3.85Å; Y621-F687 HydrophobicContact CD2-CD2 3.85Å; Y621-F687 AromaticContact CD2-CE1 3.72Å; Y621-F687 HydrophobicContact CD2-CE1 3.72Å; Y621-F687 AromaticContact CD2-CE2 3.57Å; Y621-F687 HydrophobicContact CD2-CE2 3.57Å; Y621-F687 HydrophobicContact CD2-CG 4.06Å; Y621-F687 AromaticContact CD2-CZ 3.5Å; Y621-F687 HydrophobicContact CD2-CZ 3.5Å; Y621-F687 VanDerWaalsContact CD2-CZ 3.5Å; Y621-F687 HydrophobicContact CE2-CB 4.41Å; Y621-F687 AromaticContact CE2-CD1 3.49Å; Y621-F687 HydrophobicContact CE2-CD1 3.49Å; Y621-F687 VanDerWaalsContact CE2-CD1 3.49Å; Y621-F687 AromaticContact CE2-CD2 3.92Å; Y621-F687 HydrophobicContact CE2-CD2 3.92Å; Y621-F687 AromaticContact CE2-CE1 3.62Å; Y621-F687 HydrophobicContact CE2-CE1 3.62Å; Y621-F687 HydrophobicContact CE2-CE2 4.04Å; Y621-F687 AromaticContact CE2-CG 3.65Å; Y621-F687 HydrophobicContact CE2-CG 3.65Å; Y621-F687 AromaticContact CE2-CZ 3.89Å; Y621-F687 HydrophobicContact CE2-CZ 3.89Å; Y621-F687 HydrophobicContact CG-CD2 4.48Å; Y621-F687 HydrophobicContact CG-CE2 4.25Å; Y621-F687 WeakPolarHBondContact OH-CA 3.26Å; Y621-F687 PolarHBondContact OH-N 3.07Å; Y621-F687 VanDerWaalsContact OH-N 3.15Å
622	D	93.4	Very high	89.5	Confident	35 Å²	35	52.4 Å²	52.4	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-43.2	-176.6	-102.5	-4.6	0	0	0	112.6	N618 T624 W625 R626	N618-D622 WeakPolarHBondContact O-CB 3.32Å; N618-D622 PolarHBondContact O-N 2.88Å; D622-T624 VanDerWaalsContact C-N 3.28Å; D622-T624 PolarHBondContact O-N 3.41Å; D622-W625 PolarHBondContact OD1-NE1 3.28Å; D622-R626 VanDerWaalsContact O-CB 3.24Å; D622-R626 WeakPolarHBondContact O-CB 3.42Å; D622-R626 VanDerWaalsContact O-CG 3.25Å; D622-R626 WeakPolarHBondContact O-CG 3.44Å; D622-R626 PolarHBondContact O-N 3.34Å; D622-R626 IonicContact OD1-CZ 3.43Å; D622-R626 IonicContact OD1-NH1 3.32Å; D622-R626 PolarHBondContact OD1-NH1 3.45Å; D622-R626 IonicContact OD1-NH2 3.63Å; D622-R626 PolarHBondContact OD1-NH2 2.85Å; D622-R626 IonicContact OD2-CZ 2.76Å; D622-R626 VanDerWaalsContact OD2-CZ 3.25Å; D622-R626 IonicContact OD2-NH1 3.55Å; D622-R626 PolarHBondContact OD2-NH1 3.47Å; D622-R626 IonicContact OD2-NH2 3.83Å; D622-R626 PolarHBondContact OD2-NH2 3.15Å
623	G	91.1	Very high	88.2	Confident	17 Å²	17	50.5 Å²	50.5	18%	0.175	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-32.9	174.9	0	0	0	0	0	112.4	D619 Y621 R627	D619-G623 WeakPolarHBondContact O-CA 3.5Å; D619-G623 PolarHBondContact O-N 3.41Å; Y621-G623 PolarHBondContact O-N 2.82Å; G623-R627 VanDerWaalsContact O-CB 3.3Å; G623-R627 WeakPolarHBondContact O-CB 3.18Å; G623-R627 WeakPolarHBondContact O-CG 3.33Å; G623-R627 PolarHBondContact O-N 2.72Å; G623-R627 PolarHBondContact O-NE 2.65Å
624	T	92.8	Very high	87.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-61.1	179.3	-62.1	0	0	0	0	110.8	D620 Y621 D622 R626 R627 L628 W644	D620-T624 VanDerWaalsContact O-CB 3.25Å; D620-T624 WeakPolarHBondContact O-CB 3.39Å; D620-T624 PolarHBondContact O-N 3.47Å; D620-T624 PolarHBondContact O-OG1 2.9Å; Y621-T624 PolarHBondContact O-N 3.39Å; Y621-T624 VanDerWaalsContact O-N 3.15Å; D622-T624 VanDerWaalsContact C-N 3.28Å; D622-T624 PolarHBondContact O-N 3.41Å; T624-R626 PolarHBondContact O-N 3.18Å; T624-R627 PolarHBondContact O-N 2.65Å; T624-L628 VanDerWaalsContact O-CB 3.27Å; T624-L628 WeakPolarHBondContact O-CB 3.48Å; T624-L628 PolarHBondContact O-N 2.83Å; T624-W644 HydrophobicContact CG2-CH2 4.2Å; T624-W644 HydrophobicContact CG2-CZ2 3.69Å
625	W	92.1	Very high	86.9	Confident	42 Å²	42	50.9 Å²	50.9	16%	0.159	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-34.9	-174	77.8	-98.4	0	0	0	112.8	M1 Y621 D622 R627 F637 W644	M1-W625 HydrophobicContact CE-CD2 4.4Å; M1-W625 HydrophobicContact CE-CE3 3.86Å; M1-W625 HydrophobicContact CE-CH2 3.53Å; M1-W625 HydrophobicContact CE-CZ2 4.1Å; M1-W625 HydrophobicContact CE-CZ3 3.4Å; M1-W625 HydrophobicContact SD-CH2 3.94Å; M1-W625 HydrophobicContact SD-CZ2 4.35Å; M1-W625 HydrophobicContact SD-CZ3 4.4Å; Y621-W625 AromaticContact CE1-CD1 3.77Å; Y621-W625 AromaticContact CE1-NE1 3.77Å; Y621-W625 AromaticContact CZ-CD1 3.83Å; Y621-W625 VanDerWaalsContact O-CD1 3.25Å; Y621-W625 PolarHBondContact O-N 2.98Å; Y621-W625 VanDerWaalsContact O-N 3.14Å; D622-W625 PolarHBondContact OD1-NE1 3.28Å; W625-R627 PolarHBondContact O-N 2.74Å; W625-F637 HydrophobicContact CB-CE2 3.9Å; W625-F637 HydrophobicContact CD2-CD2 4.41Å; W625-F637 AromaticContact CD2-CE2 3.73Å; W625-F637 HydrophobicContact CD2-CE2 3.73Å; W625-F637 AromaticContact CE3-CD2 3.82Å; W625-F637 HydrophobicContact CE3-CD2 3.82Å; W625-F637 AromaticContact CE3-CE2 3.61Å; W625-F637 HydrophobicContact CE3-CE2 3.61Å; W625-F637 AromaticContact CG-CE2 3.89Å; W625-F637 HydrophobicContact CG-CE2 3.89Å; W625-F637 HydrophobicContact CZ3-CD2 4.28Å; W625-F637 HydrophobicContact CZ3-CE2 4.33Å; W625-W644 HydrophobicContact CB-CH2 3.77Å; W625-W644 HydrophobicContact CB-CZ3 3.82Å
626	R	90.1	Very high	86.7	Confident	122 Å²	122	45.4 Å²	45.4	46%	0.46	22%	0.216	S	C	.	.	H	α-helix	trans	-70.7	-30.2	-179.3	-69.6	-169.3	-172.7	108.1	10.7	113.4	D622 T624 R629	D622-R626 VanDerWaalsContact O-CB 3.24Å; D622-R626 WeakPolarHBondContact O-CB 3.42Å; D622-R626 VanDerWaalsContact O-CG 3.25Å; D622-R626 WeakPolarHBondContact O-CG 3.44Å; D622-R626 PolarHBondContact O-N 3.34Å; D622-R626 IonicContact OD1-CZ 3.43Å; D622-R626 IonicContact OD1-NH1 3.32Å; D622-R626 PolarHBondContact OD1-NH1 3.45Å; D622-R626 IonicContact OD1-NH2 3.63Å; D622-R626 PolarHBondContact OD1-NH2 2.85Å; D622-R626 IonicContact OD2-CZ 2.76Å; D622-R626 VanDerWaalsContact OD2-CZ 3.25Å; D622-R626 IonicContact OD2-NH1 3.55Å; D622-R626 PolarHBondContact OD2-NH1 3.47Å; D622-R626 IonicContact OD2-NH2 3.83Å; D622-R626 PolarHBondContact OD2-NH2 3.15Å; T624-R626 PolarHBondContact O-N 3.18Å; R626-R629 PolarHBondContact O-NH1 3.21Å; R626-R629 PolarHBondContact O-NH2 3.41Å
627	R	89.4	Confident	86.5	Confident	117 Å²	117	42.7 Å²	42.7	44%	0.442	20%	0.203	S	C	.	.	H	α-helix	trans	-99.3	-17.3	-178	-63.9	-176.2	-67	146.1	-2.8	113.7	V575 K576 G623 T624 W625 R629	V575-R627 HydrophobicContact CG1-CB 4.17Å; V575-R627 VanDerWaalsContact CG1-CZ 3.41Å; V575-R627 HydrophobicContact CG2-CB 4.24Å; K576-R627 VanDerWaalsContact O-CZ 3.32Å; K576-R627 PolarHBondContact O-NH1 2.86Å; K576-R627 PolarHBondContact O-NH2 2.82Å; G623-R627 VanDerWaalsContact O-CB 3.3Å; G623-R627 WeakPolarHBondContact O-CB 3.18Å; G623-R627 WeakPolarHBondContact O-CG 3.33Å; G623-R627 PolarHBondContact O-N 2.72Å; G623-R627 PolarHBondContact O-NE 2.65Å; T624-R627 PolarHBondContact O-N 2.65Å; W625-R627 PolarHBondContact O-N 2.74Å; R627-R629 PolarHBondContact O-N 3.35Å
628	L	88.8	Confident	86	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.205	C	C	.	.			trans	-66.8	123.5	178.3	-160.7	147	0	0	0	110	V575 A590 L603 T624 F630 V636	V575-L628 HydrophobicContact CG2-CB 3.7Å; V575-L628 HydrophobicContact CG2-CD1 4.31Å; V575-L628 HydrophobicContact CG2-CG 4.13Å; A590-L628 HydrophobicContact CB-CD1 3.55Å; A590-L628 HydrophobicContact CB-CD2 4.07Å; A590-L628 HydrophobicContact CB-CG 4.41Å; L603-L628 HydrophobicContact CD2-CD1 4.13Å; T624-L628 VanDerWaalsContact O-CB 3.27Å; T624-L628 WeakPolarHBondContact O-CB 3.48Å; T624-L628 PolarHBondContact O-N 2.83Å; L628-F630 HydrophobicContact CD2-CD2 4.02Å; L628-F630 HydrophobicContact CD2-CE1 4.03Å; L628-F630 HydrophobicContact CD2-CE2 3.45Å; L628-F630 VanDerWaalsContact CD2-CE2 3.45Å; L628-F630 HydrophobicContact CD2-CZ 3.48Å; L628-F630 VanDerWaalsContact CD2-CZ 3.48Å; L628-V636 HydrophobicContact CB-CG2 4.04Å; L628-V636 HydrophobicContact CD1-CG2 4.46Å; L628-V636 HydrophobicContact CD2-CG2 3.83Å; L628-V636 HydrophobicContact CG-CG2 4.31Å
629	R	81.4	Confident	85.7	Confident	104 Å²	104	43 Å²	43	39%	0.392	21%	0.205	S	C	.	.			trans	-132.4	133	177.8	-64.8	-66.7	178.5	-83.6	-2.4	108.8	R626 R627	R626-R629 PolarHBondContact O-NH1 3.21Å; R626-R629 PolarHBondContact O-NH2 3.41Å; R627-R629 PolarHBondContact O-N 3.35Å
630	F	82.2	Confident	85.7	Confident	5 Å²	5	39.7 Å²	39.7	2%	0.022	19%	0.187	C	C	.	.			trans	-89.1	151	170.8	-63.7	-77.6	0	0	0	110	A590 S592 L628 S632 D633 M634 H639	A590-F630 HydrophobicContact CB-CE1 4.01Å; A590-F630 HydrophobicContact CB-CZ 3.8Å; S592-F630 WeakPolarHBondContact OG-CD1 3.42Å; S592-F630 WeakPolarHBondContact OG-CE1 3.5Å; L628-F630 HydrophobicContact CD2-CD2 4.02Å; L628-F630 HydrophobicContact CD2-CE1 4.03Å; L628-F630 HydrophobicContact CD2-CE2 3.45Å; L628-F630 VanDerWaalsContact CD2-CE2 3.45Å; L628-F630 HydrophobicContact CD2-CZ 3.48Å; L628-F630 VanDerWaalsContact CD2-CZ 3.48Å; F630-S632 PolarHBondContact O-N 3.29Å; F630-D633 PolarHBondContact O-N 3.1Å; F630-M634 HydrophobicContact CB-CB 4.37Å; F630-M634 HydrophobicContact CD2-CB 4.26Å; F630-M634 WeakPolarHBondContact CD2-O 3.37Å; F630-M634 PolarHBondContact N-O 2.93Å; F630-M634 VanDerWaalsContact N-O 3.15Å; F630-H639 AromaticContact CD2-CE1 3.74Å; F630-H639 AromaticContact CE2-CE1 3.44Å; F630-H639 VanDerWaalsContact CE2-CE1 3.44Å; F630-H639 WeakPolarHBondContact CE2-CE1 3.41Å
631	P	69	Low	85.7	Confident	100 Å²	100	39.3 Å²	39.3	65%	0.649	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.2	175.2	-25.9	35.4	0	0	0	114.9	D633	P631-D633 PolarHBondContact O-N 2.92Å
632	S	62.1	Low	85.8	Confident	37 Å²	37	38.7 Å²	38.7	26%	0.259	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	1.8	173.9	53.4	0	0	0	0	114	F630 M634	F630-S632 PolarHBondContact O-N 3.29Å; S632-M634 PolarHBondContact O-N 3.08Å; S632-M634 WeakPolarHBondContact OG-CB 3.47Å; S632-M634 WeakPolarHBondContact OG-CG 3.49Å
633	D	65.3	Low	86.1	Confident	68 Å²	68	37 Å²	37	36%	0.364	17%	0.174	S	C	.	.	S	Bend	trans	63.2	13.6	-169.8	-54.4	-64.6	0	0	0	114.1	R392 P398 F630 P631 Y635	R392-D633 IonicContact CZ-OD2 4Å; R392-D633 IonicContact NH1-OD2 2.7Å; R392-D633 PolarHBondContact NH1-OD2 2.99Å; R392-D633 IonicContact NH2-OD2 2.83Å; R392-D633 PolarHBondContact NH2-OD2 3.44Å; P398-D633 HydrophobicContact CB-CB 3.87Å; F630-D633 PolarHBondContact O-N 3.1Å; P631-D633 PolarHBondContact O-N 2.92Å; D633-Y635 WeakPolarHBondContact O-CE2 3.3Å
634	M	76	Confident	86.4	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.039	17%	0.165	C	C	.	.			trans	-76.2	149.6	169.3	-70.5	-68.9	-95.1	0	0	111.4	A402 R403 F630 S632 S638	A402-M634 HydrophobicContact CB-CE 3.97Å; A402-M634 HydrophobicContact CB-CG 3.73Å; A402-M634 HydrophobicContact CB-SD 3.19Å; A402-M634 WeakPolarHBondContact CB-SD 3.21Å; R403-M634 HydrophobicContact CG-CE 4.5Å; F630-M634 HydrophobicContact CB-CB 4.37Å; F630-M634 HydrophobicContact CD2-CB 4.26Å; F630-M634 WeakPolarHBondContact CD2-O 3.37Å; F630-M634 PolarHBondContact N-O 2.93Å; F630-M634 VanDerWaalsContact N-O 3.15Å; S632-M634 PolarHBondContact O-N 3.08Å; S632-M634 WeakPolarHBondContact OG-CB 3.47Å; S632-M634 WeakPolarHBondContact OG-CG 3.49Å; M634-S638 VanDerWaalsContact CE-O 3.28Å; M634-S638 WeakPolarHBondContact CE-O 3.43Å; M634-S638 WeakPolarHBondContact SD-CB 3.3Å
635	Y	85.9	Confident	86.7	Confident	98 Å²	98	36.2 Å²	36.2	38%	0.384	17%	0.165	S	C	.	.			trans	-106.9	166.5	172.5	-53.4	-101.3	0	0	0	109.4	D633 F637 S638 H639	D633-Y635 WeakPolarHBondContact O-CE2 3.3Å; Y635-F637 VanDerWaalsContact C-N 3.3Å; Y635-F637 PolarHBondContact O-N 3.34Å; Y635-S638 WeakPolarHBondContact CB-OG 3.4Å; Y635-S638 PolarHBondContact N-OG 3.04Å; Y635-S638 VanDerWaalsContact N-OG 3.1Å; Y635-S638 WeakPolarHBondContact O-CB 3.48Å; Y635-S638 PolarHBondContact O-N 2.83Å; Y635-H639 PolarHBondContact O-CE1 2.94Å; Y635-H639 PolarHBondContact O-ND1 2.87Å
636	V	90.5	Very high	87	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-50.5	-53.1	176.7	174.8	0	0	0	0	110.7	L603 L628 S638 H639 V642	L603-V636 HydrophobicContact CD1-CG1 4.03Å; L603-V636 HydrophobicContact CD2-CG1 4.34Å; L603-V636 HydrophobicContact CD2-CG2 4.07Å; L628-V636 HydrophobicContact CB-CG2 4.04Å; L628-V636 HydrophobicContact CD1-CG2 4.46Å; L628-V636 HydrophobicContact CD2-CG2 3.83Å; L628-V636 HydrophobicContact CG-CG2 4.31Å; V636-S638 PolarHBondContact O-N 3.32Å; V636-S638 VanDerWaalsContact O-N 3.16Å; V636-H639 PolarHBondContact O-N 2.98Å; V636-H639 PolarHBondContact O-ND1 3.38Å; V636-V642 HydrophobicContact CG1-CG1 3.7Å; V636-V642 HydrophobicContact CG1-CG2 4.03Å; V636-V642 WeakPolarHBondContact O-CG2 3.41Å
637	F	90.2	Very high	87.4	Confident	27 Å²	27	28.5 Å²	28.5	12%	0.118	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-85.2	25.1	179.8	-54.9	-74.4	0	0	0	113.8	M1 W625 Y635 F690 W728 R730	M1-F637 HydrophobicContact CE-CB 4.19Å; M1-F637 HydrophobicContact CE-CD1 4.32Å; M1-F637 HydrophobicContact CE-CD2 3.01Å; M1-F637 HydrophobicContact CE-CE2 3.26Å; M1-F637 HydrophobicContact CE-CG 3.59Å; M1-F637 HydrophobicContact CE-CZ 4.04Å; W625-F637 HydrophobicContact CB-CE2 3.9Å; W625-F637 HydrophobicContact CD2-CD2 4.41Å; W625-F637 AromaticContact CD2-CE2 3.73Å; W625-F637 HydrophobicContact CD2-CE2 3.73Å; W625-F637 AromaticContact CE3-CD2 3.82Å; W625-F637 HydrophobicContact CE3-CD2 3.82Å; W625-F637 AromaticContact CE3-CE2 3.61Å; W625-F637 HydrophobicContact CE3-CE2 3.61Å; W625-F637 AromaticContact CG-CE2 3.89Å; W625-F637 HydrophobicContact CG-CE2 3.89Å; W625-F637 HydrophobicContact CZ3-CD2 4.28Å; W625-F637 HydrophobicContact CZ3-CE2 4.33Å; Y635-F637 VanDerWaalsContact C-N 3.3Å; Y635-F637 PolarHBondContact O-N 3.34Å; F637-F690 AromaticContact CE1-CE2 3.5Å; F637-F690 HydrophobicContact CE1-CE2 3.5Å; F637-F690 AromaticContact CE1-CZ 3.66Å; F637-F690 HydrophobicContact CE1-CZ 3.66Å; F637-F690 AromaticContact CZ-CE2 3.74Å; F637-F690 HydrophobicContact CZ-CE2 3.74Å; F637-F690 AromaticContact CZ-CZ 3.98Å; F637-F690 HydrophobicContact CZ-CZ 3.98Å; F637-W728 HydrophobicContact CD1-CD2 4.04Å; F637-W728 HydrophobicContact CD1-CE3 4.15Å; F637-W728 HydrophobicContact CD1-CH2 4.45Å; F637-W728 HydrophobicContact CD1-CZ2 4.37Å; F637-W728 HydrophobicContact CD1-CZ3 4.35Å; F637-W728 HydrophobicContact CE1-CD2 4.35Å; F637-W728 HydrophobicContact CE1-CG 4.38Å; F637-R730 PolarHBondContact O-NH2 2.93Å
638	S	85.4	Confident	87.8	Confident	7 Å²	7	22.9 Å²	22.9	5%	0.049	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-94.6	-11.1	163.8	-55.1	0	0	0	0	112.5	M634 Y635 V636 R730	M634-S638 VanDerWaalsContact CE-O 3.28Å; M634-S638 WeakPolarHBondContact CE-O 3.43Å; M634-S638 WeakPolarHBondContact SD-CB 3.3Å; Y635-S638 WeakPolarHBondContact CB-OG 3.4Å; Y635-S638 PolarHBondContact N-OG 3.04Å; Y635-S638 VanDerWaalsContact N-OG 3.1Å; Y635-S638 WeakPolarHBondContact O-CB 3.48Å; Y635-S638 PolarHBondContact O-N 2.83Å; V636-S638 PolarHBondContact O-N 3.32Å; V636-S638 VanDerWaalsContact O-N 3.16Å; S638-R730 PolarHBondContact O-NH2 2.99Å
639	H	90.9	Very high	88.2	Confident	6 Å²	6	23 Å²	23	3%	0.028	12%	0.116	C	C	.	.	S	Bend	trans	-85	165.4	-179.8	-55.9	80.9	0	0	0	112.3	S592 S599 C601 F630 Y635 V636 V642 W728 R730	S592-H639 WeakPolarHBondContact CB-NE2 3.36Å; S592-H639 PolarHBondContact OG-NE2 2.81Å; S599-H639 VanDerWaalsContact OG-CA 3.25Å; S599-H639 WeakPolarHBondContact OG-CA 3.3Å; C601-H639 HydrophobicContact CB-CB 3.94Å; F630-H639 AromaticContact CD2-CE1 3.74Å; F630-H639 AromaticContact CE2-CE1 3.44Å; F630-H639 VanDerWaalsContact CE2-CE1 3.44Å; F630-H639 WeakPolarHBondContact CE2-CE1 3.41Å; Y635-H639 PolarHBondContact O-CE1 2.94Å; Y635-H639 PolarHBondContact O-ND1 2.87Å; V636-H639 PolarHBondContact O-N 2.98Å; V636-H639 PolarHBondContact O-ND1 3.38Å; H639-V642 HydrophobicContact CB-CG2 4.45Å; H639-W728 WeakPolarHBondContact O-CZ3 3.19Å; H639-R730 PolarHBondContact O-NE 2.83Å; H639-R730 PolarHBondContact O-NH2 2.82Å
640	D	92	Very high	89	Confident	17 Å²	17	18.1 Å²	18.1	9%	0.091	10%	0.097	C	C	.	.	S	Bend	trans	-78.9	-39.2	176.2	-62.5	-58.2	0	0	0	111.4	T598 S599 E729 R730	T598-D640 HydrophobicContact CG2-CB 4.03Å; S599-D640 PolarHBondContact N-OD2 2.89Å; S599-D640 WeakPolarHBondContact O-CB 3.47Å; S599-D640 PolarHBondContact O-N 2.67Å; S599-D640 PolarHBondContact OG-N 3.47Å; S599-D640 PolarHBondContact OG-OD2 2.9Å; D640-E729 CarbonylContact O-C 3.56Å; D640-E729 WeakPolarHBondContact O-CA 3.26Å; D640-R730 PolarHBondContact O-N 2.81Å
641	F	96	Very high	89.7	Confident	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	174.3	-58.6	-83.1	0	0	0	111.3	T598 S599 L600 C601 F643 W728 E729 R739 C740 V764	T598-F641 HydrophobicContact CG2-CD2 3.58Å; T598-F641 HydrophobicContact CG2-CE2 3.58Å; S599-F641 PolarHBondContact O-N 2.84Å; S599-F641 VanDerWaalsContact O-N 3.1Å; L600-F641 HydrophobicContact CD2-CB 3.85Å; L600-F641 HydrophobicContact CD2-CD2 3.73Å; L600-F641 HydrophobicContact CD2-CG 4.18Å; C601-F641 PolarHBondContact N-O 2.82Å; F641-F643 HydrophobicContact CB-CE2 3.78Å; F641-F643 HydrophobicContact CB-CZ 4.23Å; F641-W728 CarbonylContact C-O 3.58Å; F641-W728 WeakPolarHBondContact CA-O 3.44Å; F641-E729 HydrophobicContact CD1-CB 3.69Å; F641-E729 HydrophobicContact CE1-CB 3.65Å; F641-R739 HydrophobicContact CE1-CB 4.04Å; F641-R739 HydrophobicContact CZ-CB 3.63Å; F641-C740 HydrophobicContact CD1-CB 4.03Å; F641-C740 HydrophobicContact CE1-CB 3.72Å; F641-V764 HydrophobicContact CD1-CG1 4.24Å; F641-V764 HydrophobicContact CD2-CG1 3.86Å; F641-V764 HydrophobicContact CE1-CG1 4.01Å; F641-V764 HydrophobicContact CE2-CG1 3.59Å; F641-V764 HydrophobicContact CG-CG1 4.17Å; F641-V764 HydrophobicContact CZ-CG1 3.66Å
642	V	97.5	Very high	91	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.6	174.4	-179.8	0	0	0	0	108.4	C601 L603 V636 H639 F690 F727 W728	C601-V642 HydrophobicContact CB-CG2 4.16Å; C601-V642 CarbonylContact O-C 3.54Å; C601-V642 VanDerWaalsContact O-CA 3.3Å; C601-V642 WeakPolarHBondContact O-CA 3.47Å; L603-V642 HydrophobicContact CD1-CG1 3.48Å; L603-V642 VanDerWaalsContact CD1-CG1 3.48Å; V636-V642 HydrophobicContact CG1-CG1 3.7Å; V636-V642 HydrophobicContact CG1-CG2 4.03Å; V636-V642 WeakPolarHBondContact O-CG2 3.41Å; H639-V642 HydrophobicContact CB-CG2 4.45Å; V642-F690 HydrophobicContact CG1-CE1 4.13Å; V642-F690 HydrophobicContact CG1-CZ 4.11Å; V642-F727 CarbonylContact O-C 3.57Å; V642-F727 WeakPolarHBondContact O-CA 3.38Å; V642-W728 HydrophobicContact CB-CB 4.28Å; V642-W728 HydrophobicContact CB-CE3 4.31Å; V642-W728 HydrophobicContact CG2-CE3 3.84Å; V642-W728 HydrophobicContact CG2-CZ3 4.36Å; V642-W728 PolarHBondContact N-O 3.09Å; V642-W728 PolarHBondContact O-N 2.85Å
643	F	98.6	Very high	92.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.2	171.6	-60.2	-86	0	0	0	108.1	I456 L600 C601 F602 L603 F641 F645 F727 F762 V764	I456-F643 HydrophobicContact CD1-CE2 4.04Å; I456-F643 HydrophobicContact CD1-CZ 4.11Å; L600-F643 HydrophobicContact CD2-CE2 4.45Å; C601-F643 PolarHBondContact O-N 3.24Å; F602-F643 CarbonylContact C-O 3.51Å; F602-F643 WeakPolarHBondContact CA-O 3.41Å; F602-F643 HydrophobicContact CD1-CB 3.77Å; F602-F643 AromaticContact CD1-CD2 3.86Å; F602-F643 HydrophobicContact CD1-CD2 3.86Å; F602-F643 HydrophobicContact CD1-CG 4.09Å; F602-F643 HydrophobicContact CE1-CB 4.13Å; F602-F643 AromaticContact CE1-CD2 3.44Å; F602-F643 HydrophobicContact CE1-CD2 3.44Å; F602-F643 VanDerWaalsContact CE1-CD2 3.44Å; F602-F643 HydrophobicContact CE1-CE2 4.12Å; F602-F643 AromaticContact CE1-CG 3.92Å; F602-F643 HydrophobicContact CE1-CG 3.92Å; F602-F643 AromaticContact CZ-CD2 3.99Å; F602-F643 HydrophobicContact CZ-CD2 3.99Å; F602-F643 HydrophobicContact CZ-CE2 4.36Å; L603-F643 PolarHBondContact N-O 2.83Å; F641-F643 HydrophobicContact CB-CE2 3.78Å; F641-F643 HydrophobicContact CB-CZ 4.23Å; F643-F645 HydrophobicContact CB-CD1 4.38Å; F643-F645 HydrophobicContact CB-CE1 4.24Å; F643-F727 HydrophobicContact CD1-CB 3.7Å; F643-F727 HydrophobicContact CE1-CB 3.89Å; F643-F762 AromaticContact CD1-CD2 3.86Å; F643-F762 HydrophobicContact CD1-CD2 3.86Å; F643-F762 AromaticContact CD1-CE2 3.71Å; F643-F762 HydrophobicContact CD1-CE2 3.71Å; F643-F762 HydrophobicContact CD1-CG 4.34Å; F643-F762 HydrophobicContact CD1-CZ 4.07Å; F643-F762 HydrophobicContact CE1-CB 4.22Å; F643-F762 HydrophobicContact CE1-CD1 4.04Å; F643-F762 AromaticContact CE1-CD2 3.61Å; F643-F762 HydrophobicContact CE1-CD2 3.61Å; F643-F762 HydrophobicContact CE1-CE1 4.33Å; F643-F762 AromaticContact CE1-CE2 3.91Å; F643-F762 HydrophobicContact CE1-CE2 3.91Å; F643-F762 AromaticContact CE1-CG 3.68Å; F643-F762 HydrophobicContact CE1-CG 3.68Å; F643-F762 HydrophobicContact CE1-CZ 4.26Å; F643-V764 HydrophobicContact CZ-CG2 3.89Å
644	W	98.4	Very high	93.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.7	-178.2	-161.5	-18.6	0	0	0	109.8	L603 S605 F607 Y621 T624 W625 F648 F687 F690 L726	L603-W644 HydrophobicContact CB-CB 4.26Å; L603-W644 HydrophobicContact CB-CD2 4.2Å; L603-W644 HydrophobicContact CB-CG 3.76Å; L603-W644 HydrophobicContact CD2-CD2 4Å; L603-W644 HydrophobicContact CD2-CE3 4.26Å; L603-W644 HydrophobicContact CD2-CG 4.44Å; L603-W644 HydrophobicContact CD2-CZ2 4.3Å; S605-W644 PolarHBondContact OG-NE1 2.81Å; F607-W644 HydrophobicContact CE1-CZ2 4.49Å; F607-W644 HydrophobicContact CZ-CZ2 4.08Å; Y621-W644 HydrophobicContact CD2-CE3 4.4Å; Y621-W644 AromaticContact CD2-CH2 3.41Å; Y621-W644 HydrophobicContact CD2-CH2 3.41Å; Y621-W644 VanDerWaalsContact CD2-CH2 3.41Å; Y621-W644 HydrophobicContact CD2-CZ2 4Å; Y621-W644 AromaticContact CD2-CZ3 3.66Å; Y621-W644 HydrophobicContact CD2-CZ3 3.66Å; Y621-W644 HydrophobicContact CE2-CE3 4.01Å; Y621-W644 AromaticContact CE2-CH2 3.59Å; Y621-W644 HydrophobicContact CE2-CH2 3.59Å; Y621-W644 HydrophobicContact CE2-CZ2 4.49Å; Y621-W644 AromaticContact CE2-CZ3 3.31Å; Y621-W644 HydrophobicContact CE2-CZ3 3.31Å; Y621-W644 HydrophobicContact CG-CH2 4.35Å; T624-W644 HydrophobicContact CG2-CH2 4.2Å; T624-W644 HydrophobicContact CG2-CZ2 3.69Å; W625-W644 HydrophobicContact CB-CH2 3.77Å; W625-W644 HydrophobicContact CB-CZ3 3.82Å; W644-F648 AromaticContact CD1-CE1 3.73Å; W644-F648 AromaticContact CD1-CZ 3.55Å; W644-F648 HydrophobicContact CG-CZ 4.15Å; W644-F648 AromaticContact NE1-CE1 3.82Å; W644-F687 HydrophobicContact CB-CE1 4.23Å; W644-F687 AromaticContact CD2-CE1 3.63Å; W644-F687 HydrophobicContact CD2-CE1 3.63Å; W644-F687 HydrophobicContact CD2-CZ 4.25Å; W644-F687 HydrophobicContact CE3-CD1 4.29Å; W644-F687 AromaticContact CE3-CE1 3.67Å; W644-F687 HydrophobicContact CE3-CE1 3.67Å; W644-F687 AromaticContact CG-CE1 3.9Å; W644-F687 HydrophobicContact CG-CE1 3.9Å; W644-F687 HydrophobicContact CZ3-CE1 4.23Å; W644-F690 HydrophobicContact CB-CE1 3.94Å; W644-F690 HydrophobicContact CE3-CE1 4.3Å; W644-F690 AromaticContact CE3-CZ 3.89Å; W644-F690 HydrophobicContact CE3-CZ 3.89Å; W644-L726 PolarHBondContact N-O 3.25Å; W644-L726 PolarHBondContact O-N 2.94Å
645	F	98.7	Very high	94.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	169.5	-178.7	46.8	-87.8	0	0	0	111.6	C458 A503 L555 F602 L603 C604 S605 F643 F648 R724 V725	C458-F645 HydrophobicContact CB-CD1 3.96Å; C458-F645 HydrophobicContact CB-CE1 3.99Å; A503-F645 HydrophobicContact CB-CE1 4.17Å; A503-F645 HydrophobicContact CB-CZ 3.82Å; L555-F645 HydrophobicContact CD1-CE2 3.72Å; L555-F645 HydrophobicContact CD1-CZ 3.51Å; F602-F645 HydrophobicContact CB-CE1 4.31Å; F602-F645 HydrophobicContact CB-CZ 4.41Å; F602-F645 HydrophobicContact CD1-CE1 4.21Å; L603-F645 PolarHBondContact O-N 3.49Å; L603-F645 VanDerWaalsContact O-O 3.1Å; C604-F645 CarbonylContact C-O 3.46Å; C604-F645 WeakPolarHBondContact CA-O 3.23Å; C604-F645 HydrophobicContact CB-CD2 4.49Å; C604-F645 HydrophobicContact CB-CE2 4.22Å; S605-F645 PolarHBondContact N-O 3.1Å; F643-F645 HydrophobicContact CB-CD1 4.38Å; F643-F645 HydrophobicContact CB-CE1 4.24Å; F645-F648 WeakPolarHBondContact O-CE1 3.39Å; F645-R724 CarbonylContact C-O 3.53Å; F645-R724 WeakPolarHBondContact CA-O 3.47Å; F645-R724 VanDerWaalsContact CB-O 3.22Å; F645-R724 WeakPolarHBondContact CB-O 3.44Å; F645-V725 HydrophobicContact CB-CB 4.12Å; F645-V725 HydrophobicContact CB-CG1 4.07Å; F645-V725 HydrophobicContact CB-CG2 3.8Å; F645-V725 HydrophobicContact CD1-CG1 4.49Å
646	G	98.2	Very high	95.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-173.9	178.6	0	0	0	0	0	113.7	T460 S605 F648 D723 R724	T460-G646 WeakPolarHBondContact OG1-CA 3.47Å; S605-G646 VanDerWaalsContact O-CA 3.24Å; S605-G646 WeakPolarHBondContact O-CA 3.32Å; G646-F648 PolarHBondContact O-N 3.13Å; G646-D723 WeakPolarHBondContact O-CA 3.49Å; G646-R724 PolarHBondContact N-O 3.08Å; G646-R724 VanDerWaalsContact N-O 3.09Å; G646-R724 PolarHBondContact O-N 3.18Å
647	D	98	Very high	95.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	90	162.4	179.6	-0.2	0	0	0	108.2	N462 Q507 S605 H606 F607 N649 T722 H755	N462-D647 HydrophobicContact CB-CB 4.43Å; N462-D647 PolarHBondContact ND2-OD2 2.98Å; Q507-D647 HydrophobicContact CB-CB 4.43Å; Q507-D647 HydrophobicContact CG-CB 4.01Å; S605-D647 PolarHBondContact O-N 2.96Å; S605-D647 VanDerWaalsContact O-N 3.09Å; H606-D647 WeakPolarHBondContact CA-O 3.3Å; H606-D647 IonicContact CD2-OD2 2.87Å; H606-D647 IonicContact NE2-OD2 4Å; F607-D647 PolarHBondContact N-O 3.18Å; D647-N649 PolarHBondContact O-N 2.98Å; D647-N649 WeakPolarHBondContact OD1-CA 3.47Å; D647-N649 PolarHBondContact OD1-N 3.08Å; D647-N649 PolarHBondContact OD1-ND2 2.8Å; D647-N649 PolarHBondContact OD2-ND2 2.92Å; D647-T722 CarbonylContact C-O 3.56Å; D647-T722 WeakPolarHBondContact CA-O 3.25Å; D647-T722 WeakPolarHBondContact OD1-CB 3.27Å; D647-H755 IonicContact OD2-CE1 3Å
648	F	98	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.			trans	-78.2	-7.8	177.3	-62	-20	0	0	0	112.6	F607 R617 W644 F645 G646 Y650 L677 F687 T722 R724 L726	F607-F648 WeakPolarHBondContact CB-O 3.49Å; F607-F648 HydrophobicContact CD2-CB 3.65Å; F607-F648 AromaticContact CD2-CD1 3.75Å; F607-F648 HydrophobicContact CD2-CD1 3.75Å; F607-F648 AromaticContact CD2-CG 3.92Å; F607-F648 HydrophobicContact CD2-CG 3.92Å; F607-F648 HydrophobicContact CE1-CD1 4.47Å; F607-F648 HydrophobicContact CE2-CB 3.94Å; F607-F648 AromaticContact CE2-CD1 3.42Å; F607-F648 HydrophobicContact CE2-CD1 3.42Å; F607-F648 VanDerWaalsContact CE2-CD1 3.42Å; F607-F648 HydrophobicContact CE2-CD2 4.48Å; F607-F648 HydrophobicContact CE2-CE1 4.04Å; F607-F648 AromaticContact CE2-CG 3.7Å; F607-F648 HydrophobicContact CE2-CG 3.7Å; F607-F648 HydrophobicContact CG-CD1 4.38Å; F607-F648 AromaticContact CZ-CD1 3.83Å; F607-F648 HydrophobicContact CZ-CD1 3.83Å; F607-F648 HydrophobicContact CZ-CE1 4.05Å; R617-F648 WeakPolarHBondContact CD-O 3.25Å; W644-F648 AromaticContact CD1-CE1 3.73Å; W644-F648 AromaticContact CD1-CZ 3.55Å; W644-F648 HydrophobicContact CG-CZ 4.15Å; W644-F648 AromaticContact NE1-CE1 3.82Å; F645-F648 WeakPolarHBondContact O-CE1 3.39Å; G646-F648 PolarHBondContact O-N 3.13Å; F648-Y650 HydrophobicContact CB-CD2 3.77Å; F648-Y650 HydrophobicContact CB-CE2 4.08Å; F648-Y650 WeakPolarHBondContact O-CD2 3.26Å; F648-Y650 PolarHBondContact O-N 3.32Å; F648-L677 HydrophobicContact CD2-CD2 4.21Å; F648-F687 HydrophobicContact CD2-CE2 4.35Å; F648-F687 HydrophobicContact CD2-CZ 4.1Å; F648-F687 HydrophobicContact CE1-CZ 4.42Å; F648-F687 HydrophobicContact CE2-CE1 4.26Å; F648-F687 HydrophobicContact CE2-CE2 4.33Å; F648-F687 AromaticContact CE2-CZ 3.7Å; F648-F687 HydrophobicContact CE2-CZ 3.7Å; F648-F687 HydrophobicContact CZ-CE1 4.32Å; F648-F687 AromaticContact CZ-CZ 3.86Å; F648-F687 HydrophobicContact CZ-CZ 3.86Å; F648-T722 PolarHBondContact N-O 3.48Å; F648-R724 HydrophobicContact CD2-CB 3.59Å; F648-R724 HydrophobicContact CD2-CG 4.11Å; F648-R724 HydrophobicContact CE2-CB 3.88Å; F648-R724 HydrophobicContact CG-CB 4.44Å; F648-L726 HydrophobicContact CD2-CD1 4.18Å; F648-L726 HydrophobicContact CE2-CD1 3.58Å
649	N	97.1	Very high	96.1	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	14%	0.135	C	C	.	.			trans	58.5	10.1	171.5	-101	-67.9	0	0	0	116.7	H606 F607 S608 R617 D647 R651 T722	H606-N649 PolarHBondContact NE2-ND2 2.91Å; F607-N649 PolarHBondContact O-ND2 3.07Å; S608-N649 WeakPolarHBondContact O-CB 3.25Å; R617-N649 VanDerWaalsContact CD-C 3.43Å; R617-N649 PolarHBondContact NH1-O 3.2Å; D647-N649 PolarHBondContact O-N 2.98Å; D647-N649 WeakPolarHBondContact OD1-CA 3.47Å; D647-N649 PolarHBondContact OD1-N 3.08Å; D647-N649 PolarHBondContact OD1-ND2 2.8Å; D647-N649 PolarHBondContact OD2-ND2 2.92Å; N649-R651 WeakPolarHBondContact O-CD 3.21Å; N649-R651 PolarHBondContact O-NE 2.82Å; N649-R651 PolarHBondContact OD1-NH2 3.28Å; N649-T722 PolarHBondContact N-O 3.49Å
650	Y	98.1	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.			trans	-64.4	147.8	169.1	-69.8	-87	0	0	0	110.3	F607 V614 R617 N618 F648 Q676 L677 Q680 I686	F607-Y650 HydrophobicContact CD2-CE2 4.15Å; F607-Y650 HydrophobicContact CE2-CE2 4.43Å; V614-Y650 HydrophobicContact CG1-CE1 4.35Å; R617-Y650 HydrophobicContact CB-CE1 3.9Å; R617-Y650 HydrophobicContact CB-CE2 4.06Å; N618-Y650 PolarHBondContact OD1-OH 2.96Å; F648-Y650 HydrophobicContact CB-CD2 3.77Å; F648-Y650 HydrophobicContact CB-CE2 4.08Å; F648-Y650 WeakPolarHBondContact O-CD2 3.26Å; F648-Y650 PolarHBondContact O-N 3.32Å; Y650-Q676 HydrophobicContact CD1-CB 3.83Å; Y650-Q676 HydrophobicContact CG-CB 4.48Å; Y650-L677 HydrophobicContact CD1-CB 4.22Å; Y650-L677 HydrophobicContact CD2-CB 3.77Å; Y650-L677 HydrophobicContact CD2-CD1 3.48Å; Y650-L677 VanDerWaalsContact CD2-CD1 3.48Å; Y650-L677 HydrophobicContact CD2-CG 4.13Å; Y650-L677 HydrophobicContact CE1-CD1 4.5Å; Y650-L677 HydrophobicContact CE2-CB 4.44Å; Y650-L677 HydrophobicContact CE2-CD1 3.35Å; Y650-L677 HydrophobicContact CE2-CG 4.45Å; Y650-L677 HydrophobicContact CG-CB 3.65Å; Y650-L677 HydrophobicContact CG-CD1 4.14Å; Y650-L677 HydrophobicContact CG-CG 4.48Å; Y650-Q680 HydrophobicContact CE1-CG 4.27Å; Y650-I686 HydrophobicContact CE1-CD1 4.02Å; Y650-I686 HydrophobicContact CE2-CD1 4.19Å; Y650-I686 VanDerWaalsContact OH-CD1 3.24Å; Y650-I686 WeakPolarHBondContact OH-CD1 3.46Å
651	R	97.5	Very high	96.5	Very high	10 Å²	10	31.7 Å²	31.7	4%	0.038	17%	0.171	C	C	.	.			trans	-119.1	167.2	-171.3	-49.7	-57.6	175.5	87	-10.4	111.4	N649 Q676 A720	N649-R651 WeakPolarHBondContact O-CD 3.21Å; N649-R651 PolarHBondContact O-NE 2.82Å; N649-R651 PolarHBondContact OD1-NH2 3.28Å; R651-Q676 VanDerWaalsContact O-CB 3.31Å; R651-Q676 WeakPolarHBondContact O-CB 3.33Å; R651-Q676 WeakPolarHBondContact O-CG 3.24Å; R651-Q676 PolarHBondContact O-N 2.58Å; R651-A720 HydrophobicContact CB-CB 4.29Å
652	V	97	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-87	124.7	170.3	179.6	0	0	0	0	108.4	Q611 M654 V659 L671 A674 A720 W721	Q611-V652 PolarHBondContact NE2-O 3.37Å; V652-M654 VanDerWaalsContact C-N 3.31Å; V652-M654 HydrophobicContact CG1-CB 4.11Å; V652-M654 HydrophobicContact CG1-CG 4.18Å; V652-M654 HydrophobicContact CG1-SD 4.11Å; V652-M654 PolarHBondContact O-N 3.19Å; V652-M654 VanDerWaalsContact O-N 3.17Å; V652-V659 HydrophobicContact CB-CG2 4.45Å; V652-V659 HydrophobicContact CG1-CG2 3.87Å; V652-L671 HydrophobicContact CG1-CD2 4.15Å; V652-A674 HydrophobicContact CG1-CB 3.9Å; V652-A720 HydrophobicContact CG2-CB 4.49Å; V652-W721 HydrophobicContact CG2-CE3 4.03Å; V652-W721 HydrophobicContact CG2-CZ3 4.23Å
653	D	95	Very high	96.5	Very high	103 Å²	103	33 Å²	33	55%	0.551	18%	0.178	S	C	*	.			trans	-89.4	64.1	-177.7	-159	32	0	0	0	111.5	A674 Q676	D653-A674 PolarHBondContact N-O 2.82Å; D653-Q676 HydrophobicContact CB-CG 4.3Å
654	M	94	Very high	96.3	Very high	48 Å²	48	40.4 Å²	40.4	24%	0.236	21%	0.213	C	C	.	.	S	Bend	trans	-141.7	160.1	178.1	-74.1	172.8	68	0	0	110.2	V652 D658 V659 T670 L671 A674 I718	V652-M654 VanDerWaalsContact C-N 3.31Å; V652-M654 HydrophobicContact CG1-CB 4.11Å; V652-M654 HydrophobicContact CG1-CG 4.18Å; V652-M654 HydrophobicContact CG1-SD 4.11Å; V652-M654 PolarHBondContact O-N 3.19Å; V652-M654 VanDerWaalsContact O-N 3.17Å; M654-D658 HydrophobicContact CE-CB 4.02Å; M654-V659 HydrophobicContact CB-CG2 3.54Å; M654-T670 HydrophobicContact CE-CG2 4.16Å; M654-T670 HydrophobicContact SD-CG2 4.48Å; M654-L671 HydrophobicContact SD-CD2 4.13Å; M654-A674 HydrophobicContact CG-CB 3.5Å; M654-A674 VanDerWaalsContact CG-CB 3.5Å; M654-A674 HydrophobicContact SD-CB 3.47Å; M654-A674 WeakPolarHBondContact SD-CB 3.46Å; M654-I718 WeakPolarHBondContact O-CD1 3.44Å
655	A	94.7	Very high	96.2	Very high	58 Å²	58	44.8 Å²	44.8	48%	0.479	24%	0.236	S	C	.	.			trans	-63.2	142.8	173.7	0	0	0	0	0	111.2	D657 D658 V659	A655-D657 VanDerWaalsContact C-N 3.31Å; A655-D657 PolarHBondContact O-N 3.04Å; A655-D658 PolarHBondContact O-N 2.81Å; A655-D658 VanDerWaalsContact O-N 3.11Å; A655-V659 WeakPolarHBondContact O-CG2 3.49Å; A655-V659 PolarHBondContact O-N 3.43Å
656	G	92.8	Very high	96.1	Very high	21 Å²	21	54.2 Å²	54.2	22%	0.216	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-37.6	-172	0	0	0	0	0	114.7	V659 K660	G656-V659 PolarHBondContact O-N 3.09Å; G656-K660 WeakPolarHBondContact O-CG 3.4Å; G656-K660 PolarHBondContact O-N 3.43Å
657	D	93.3	Very high	96	Very high	126 Å²	126	61.1 Å²	61.1	67%	0.674	30%	0.298	S	S	*	.	H	α-helix	trans	-70.5	-37.6	178.7	-66.6	-24.5	0	0	0	112.1	A655 V659 K660 K661	A655-D657 VanDerWaalsContact C-N 3.31Å; A655-D657 PolarHBondContact O-N 3.04Å; D657-V659 VanDerWaalsContact C-N 3.33Å; D657-K660 PolarHBondContact O-N 2.82Å; D657-K661 WeakPolarHBondContact O-CB 3.34Å; D657-K661 PolarHBondContact O-N 2.92Å
658	D	96.4	Very high	95.9	Very high	90 Å²	90	62.9 Å²	62.9	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-38.4	175.1	-67.2	-37.3	0	0	0	111.2	M654 A655 K661 A662	M654-D658 HydrophobicContact CE-CB 4.02Å; A655-D658 PolarHBondContact O-N 2.81Å; A655-D658 VanDerWaalsContact O-N 3.11Å; D658-K661 PolarHBondContact O-N 3.46Å; D658-A662 WeakPolarHBondContact O-CB 3.38Å; D658-A662 PolarHBondContact O-N 3.43Å
659	V	96.8	Very high	95.7	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-50.4	174.4	171.8	0	0	0	0	110.7	V652 M654 A655 G656 D657 K661 A662 I663 L671 I718 P719	V652-V659 HydrophobicContact CB-CG2 4.45Å; V652-V659 HydrophobicContact CG1-CG2 3.87Å; M654-V659 HydrophobicContact CB-CG2 3.54Å; A655-V659 WeakPolarHBondContact O-CG2 3.49Å; A655-V659 PolarHBondContact O-N 3.43Å; G656-V659 PolarHBondContact O-N 3.09Å; D657-V659 VanDerWaalsContact C-N 3.33Å; V659-K661 VanDerWaalsContact C-N 3.32Å; V659-K661 PolarHBondContact O-N 3.45Å; V659-A662 PolarHBondContact O-N 2.7Å; V659-I663 HydrophobicContact CG1-CD1 3.83Å; V659-I663 HydrophobicContact CG1-CG1 4.45Å; V659-I663 VanDerWaalsContact O-CG1 3.26Å; V659-I663 WeakPolarHBondContact O-CG1 3.22Å; V659-I663 PolarHBondContact O-N 3.43Å; V659-L671 HydrophobicContact CB-CD2 4.13Å; V659-L671 HydrophobicContact CG1-CD2 3.88Å; V659-L671 HydrophobicContact CG2-CD2 3.99Å; V659-I718 HydrophobicContact CB-CG2 4.02Å; V659-I718 HydrophobicContact CG1-CG2 4.1Å; V659-I718 HydrophobicContact CG2-CG2 3.69Å; V659-P719 HydrophobicContact CG1-CB 3.86Å; V659-P719 HydrophobicContact CG1-CG 4.03Å
660	K	95.1	Very high	95.6	Very high	77 Å²	77	72.1 Å²	72.1	34%	0.335	36%	0.356	S	S	.	.	H	α-helix	trans	-57.8	-44.8	178	-72.5	171.4	-176.9	175.7	0	111.5	G656 D657 A662 I663 E664 P719	G656-K660 WeakPolarHBondContact O-CG 3.4Å; G656-K660 PolarHBondContact O-N 3.43Å; D657-K660 PolarHBondContact O-N 2.82Å; K660-A662 PolarHBondContact O-N 3.32Å; K660-I663 WeakPolarHBondContact O-CB 3.37Å; K660-I663 PolarHBondContact O-N 3.44Å; K660-E664 WeakPolarHBondContact O-CG 3.28Å; K660-E664 PolarHBondContact O-N 3.5Å; K660-P719 HydrophobicContact CG-CG 4.48Å
661	K	96	Very high	95.6	Very high	127 Å²	127	72.1 Å²	72.1	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-62.9	-40.8	176.5	-171.2	177.7	-176.3	177.6	0	112.5	D657 D658 V659 I663 E664 L665	D657-K661 WeakPolarHBondContact O-CB 3.34Å; D657-K661 PolarHBondContact O-N 2.92Å; D658-K661 PolarHBondContact O-N 3.46Å; V659-K661 VanDerWaalsContact C-N 3.32Å; V659-K661 PolarHBondContact O-N 3.45Å; K661-I663 VanDerWaalsContact C-N 3.34Å; K661-E664 PolarHBondContact O-N 3.14Å; K661-L665 HydrophobicContact CG-CD1 4.18Å; K661-L665 WeakPolarHBondContact O-CB 3.29Å; K661-L665 VanDerWaalsContact O-CG 3.3Å; K661-L665 WeakPolarHBondContact O-CG 3.48Å; K661-L665 PolarHBondContact O-N 3.34Å
662	A	96.5	Very high	95.5	Very high	6 Å²	6	74.8 Å²	74.8	5%	0.05	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-36.8	176.3	0	0	0	0	0	112	D658 V659 K660 L665 R666 R667 L671	D658-A662 WeakPolarHBondContact O-CB 3.38Å; D658-A662 PolarHBondContact O-N 3.43Å; V659-A662 PolarHBondContact O-N 2.7Å; K660-A662 PolarHBondContact O-N 3.32Å; A662-L665 CarbonylContact O-C 3.33Å; A662-L665 PolarHBondContact O-N 3.48Å; A662-R666 PolarHBondContact O-N 3.48Å; A662-R667 HydrophobicContact CB-CB 4.34Å; A662-R667 PolarHBondContact O-N 2.95Å; A662-L671 HydrophobicContact CB-CD1 4.09Å; A662-L671 HydrophobicContact CB-CD2 3.77Å; A662-L671 HydrophobicContact CB-CG 3.78Å
663	I	96.3	Very high	95.4	Very high	21 Å²	21	78 Å²	78	11%	0.108	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-47.4	174	-65.2	164.8	0	0	0	111	V659 K660 K661 L665 R666 W668 L671 P699 Y710 P719	V659-I663 HydrophobicContact CG1-CD1 3.83Å; V659-I663 HydrophobicContact CG1-CG1 4.45Å; V659-I663 VanDerWaalsContact O-CG1 3.26Å; V659-I663 WeakPolarHBondContact O-CG1 3.22Å; V659-I663 PolarHBondContact O-N 3.43Å; K660-I663 WeakPolarHBondContact O-CB 3.37Å; K660-I663 PolarHBondContact O-N 3.44Å; K661-I663 VanDerWaalsContact C-N 3.34Å; I663-L665 VanDerWaalsContact C-N 3.26Å; I663-L665 PolarHBondContact O-N 2.97Å; I663-R666 PolarHBondContact O-N 3.16Å; I663-W668 HydrophobicContact CB-CZ3 4.32Å; I663-W668 HydrophobicContact CG1-CZ3 4.17Å; I663-W668 HydrophobicContact CG2-CH2 4.1Å; I663-W668 HydrophobicContact CG2-CZ3 4.21Å; I663-L671 HydrophobicContact CG1-CD1 3.69Å; I663-P699 HydrophobicContact CD1-CG 3.85Å; I663-P699 HydrophobicContact CG1-CG 4.1Å; I663-Y710 HydrophobicContact CD1-CD2 4.48Å; I663-Y710 HydrophobicContact CD1-CE2 3.76Å; I663-Y710 HydrophobicContact CG2-CE2 4.05Å; I663-P719 HydrophobicContact CD1-CB 3.56Å; I663-P719 HydrophobicContact CD1-CG 3.83Å
664	E	95.1	Very high	95.5	Very high	157 Å²	157	73.6 Å²	73.6	73%	0.734	37%	0.371	S	S	*	.	H	α-helix	trans	-57.8	-40.5	177.1	-74	173.7	-175	0	0	111.8	K660 K661 R666	K660-E664 WeakPolarHBondContact O-CG 3.28Å; K660-E664 PolarHBondContact O-N 3.5Å; K661-E664 PolarHBondContact O-N 3.14Å; E664-R666 VanDerWaalsContact C-N 3.28Å; E664-R666 PolarHBondContact O-N 3.02Å
665	L	96.6	Very high	95.7	Very high	92 Å²	92	71.3 Å²	71.3	48%	0.482	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	0.7	176.9	-63.4	175.2	0	0	0	113.9	K661 A662 I663 R667	K661-L665 HydrophobicContact CG-CD1 4.18Å; K661-L665 WeakPolarHBondContact O-CB 3.29Å; K661-L665 VanDerWaalsContact O-CG 3.3Å; K661-L665 WeakPolarHBondContact O-CG 3.48Å; K661-L665 PolarHBondContact O-N 3.34Å; A662-L665 CarbonylContact O-C 3.33Å; A662-L665 PolarHBondContact O-N 3.48Å; I663-L665 VanDerWaalsContact C-N 3.26Å; I663-L665 PolarHBondContact O-N 2.97Å; L665-R667 HydrophobicContact CB-CG 3.94Å; L665-R667 PolarHBondContact O-N 3.24Å
666	R	96	Very high	95.9	Very high	198 Å²	198	69 Å²	69	75%	0.747	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	37.8	-176.2	-56	-176.9	-180	-171.5	-1.1	113.9	A662 I663 E664 W668	A662-R666 PolarHBondContact O-N 3.48Å; I663-R666 PolarHBondContact O-N 3.16Å; E664-R666 VanDerWaalsContact C-N 3.28Å; E664-R666 PolarHBondContact O-N 3.02Å; R666-W668 VanDerWaalsContact C-N 3.27Å; R666-W668 HydrophobicContact CB-CZ2 3.92Å; R666-W668 HydrophobicContact CG-CZ2 3.94Å; R666-W668 PolarHBondContact O-N 2.79Å; R666-W668 VanDerWaalsContact O-N 3.09Å
667	R	96.1	Very high	96.1	Very high	145 Å²	145	68 Å²	68	55%	0.547	33%	0.329	S	S	.	.			trans	-86.2	66.5	178.3	-67.6	-176.9	177	-177.5	-2.1	110.7	A662 L665 D669 T670 L671	A662-R667 HydrophobicContact CB-CB 4.34Å; A662-R667 PolarHBondContact O-N 2.95Å; L665-R667 HydrophobicContact CB-CG 3.94Å; L665-R667 PolarHBondContact O-N 3.24Å; R667-D669 VanDerWaalsContact C-N 3.32Å; R667-D669 PolarHBondContact O-N 2.8Å; R667-T670 PolarHBondContact O-N 2.8Å; R667-L671 PolarHBondContact O-N 3.24Å
668	W	95.3	Very high	96.3	Very high	37 Å²	37	62.6 Å²	62.6	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-41.1	-176.7	-51.9	134.5	0	0	0	112.5	I663 R666 T670 L671 W672 L695 E696 P698 W721	I663-W668 HydrophobicContact CB-CZ3 4.32Å; I663-W668 HydrophobicContact CG1-CZ3 4.17Å; I663-W668 HydrophobicContact CG2-CH2 4.1Å; I663-W668 HydrophobicContact CG2-CZ3 4.21Å; R666-W668 VanDerWaalsContact C-N 3.27Å; R666-W668 HydrophobicContact CB-CZ2 3.92Å; R666-W668 HydrophobicContact CG-CZ2 3.94Å; R666-W668 PolarHBondContact O-N 2.79Å; R666-W668 VanDerWaalsContact O-N 3.09Å; W668-T670 VanDerWaalsContact C-N 3.28Å; W668-T670 PolarHBondContact O-N 3.38Å; W668-L671 HydrophobicContact CE3-CD1 3.97Å; W668-L671 HydrophobicContact CZ3-CD1 4.12Å; W668-L671 PolarHBondContact O-N 3.21Å; W668-L671 VanDerWaalsContact O-N 3.11Å; W668-W672 WeakPolarHBondContact O-CB 3.48Å; W668-W672 PolarHBondContact O-N 3.09Å; W668-L695 WeakPolarHBondContact CB-O 3.13Å; W668-E696 PolarHBondContact NE1-O 3.39Å; W668-P698 HydrophobicContact CH2-CB 3.63Å; W668-P698 HydrophobicContact CH2-CG 3.61Å; W668-P698 HydrophobicContact CZ2-CB 4.36Å; W668-P698 HydrophobicContact CZ2-CG 3.88Å; W668-P698 HydrophobicContact CZ3-CB 4.06Å; W668-P698 HydrophobicContact CZ3-CG 4.47Å; W668-W721 HydrophobicContact CE3-CH2 4.47Å; W668-W721 HydrophobicContact CE3-CZ2 4.06Å
669	D	94.7	Very high	96.3	Very high	129 Å²	129	61.2 Å²	61.2	69%	0.69	29%	0.291	S	S	*	.	H	α-helix	trans	-58.2	-38.8	179.3	-57.4	-29.5	0	0	0	113	R667 W672 A673	R667-D669 VanDerWaalsContact C-N 3.32Å; R667-D669 PolarHBondContact O-N 2.8Å; D669-W672 PolarHBondContact O-N 3.11Å; D669-A673 WeakPolarHBondContact O-CB 3.25Å; D669-A673 PolarHBondContact O-N 3.36Å
670	T	95.2	Very high	96.3	Very high	69 Å²	69	63 Å²	63	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-43.3	178.1	-54.9	0	0	0	0	111.3	M654 R667 W668 A674	M654-T670 HydrophobicContact CE-CG2 4.16Å; M654-T670 HydrophobicContact SD-CG2 4.48Å; R667-T670 PolarHBondContact O-N 2.8Å; W668-T670 VanDerWaalsContact C-N 3.28Å; W668-T670 PolarHBondContact O-N 3.38Å; T670-A674 PolarHBondContact O-N 3.16Å
671	L	96.9	Very high	96.4	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.1	-38.8	178.2	-67.4	173.8	0	0	0	111.2	V652 M654 V659 A662 I663 R667 W668 A674 D675 P699 W721	V652-L671 HydrophobicContact CG1-CD2 4.15Å; M654-L671 HydrophobicContact SD-CD2 4.13Å; V659-L671 HydrophobicContact CB-CD2 4.13Å; V659-L671 HydrophobicContact CG1-CD2 3.88Å; V659-L671 HydrophobicContact CG2-CD2 3.99Å; A662-L671 HydrophobicContact CB-CD1 4.09Å; A662-L671 HydrophobicContact CB-CD2 3.77Å; A662-L671 HydrophobicContact CB-CG 3.78Å; I663-L671 HydrophobicContact CG1-CD1 3.69Å; R667-L671 PolarHBondContact O-N 3.24Å; W668-L671 HydrophobicContact CE3-CD1 3.97Å; W668-L671 HydrophobicContact CZ3-CD1 4.12Å; W668-L671 PolarHBondContact O-N 3.21Å; W668-L671 VanDerWaalsContact O-N 3.11Å; L671-A674 CarbonylContact O-C 3.57Å; L671-A674 PolarHBondContact O-N 2.93Å; L671-A674 VanDerWaalsContact O-N 3.15Å; L671-D675 PolarHBondContact O-N 2.77Å; L671-D675 VanDerWaalsContact O-N 3.1Å; L671-P699 HydrophobicContact CD1-CG 4.44Å; L671-W721 HydrophobicContact CB-CH2 3.36Å; L671-W721 HydrophobicContact CB-CZ3 3.44Å; L671-W721 VanDerWaalsContact CB-CZ3 3.44Å; L671-W721 HydrophobicContact CD1-CH2 4.11Å; L671-W721 HydrophobicContact CG-CH2 4.38Å
672	W	96	Very high	96.3	Very high	66 Å²	66	63.2 Å²	63.2	25%	0.25	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-41.5	-179.4	-171.5	4.9	0	0	0	111.3	W668 D669 A674 D675 T678 P694 L695 W721	W668-W672 WeakPolarHBondContact O-CB 3.48Å; W668-W672 PolarHBondContact O-N 3.09Å; D669-W672 PolarHBondContact O-N 3.11Å; W672-A674 PolarHBondContact O-N 3.05Å; W672-A674 VanDerWaalsContact O-N 3.16Å; W672-D675 VanDerWaalsContact O-CB 3.27Å; W672-D675 WeakPolarHBondContact O-CB 3.32Å; W672-D675 PolarHBondContact O-N 2.85Å; W672-T678 PolarHBondContact NE1-OG1 3.46Å; W672-P694 VanDerWaalsContact CH2-CA 3.48Å; W672-P694 HydrophobicContact CH2-CB 3.93Å; W672-P694 HydrophobicContact CZ3-CB 3.79Å; W672-L695 HydrophobicContact CD2-CB 4.21Å; W672-L695 HydrophobicContact CD2-CD1 4.39Å; W672-L695 HydrophobicContact CD2-CG 4.43Å; W672-L695 HydrophobicContact CE3-CB 4.38Å; W672-L695 HydrophobicContact CG-CB 4.42Å; W672-L695 HydrophobicContact CG-CD1 4.06Å; W672-W721 HydrophobicContact CB-CZ3 4.5Å
673	A	95.6	Very high	96.3	Very high	69 Å²	69	67.3 Å²	67.3	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-25.9	172.7	0	0	0	0	0	113.2	D669 Q679	D669-A673 WeakPolarHBondContact O-CB 3.25Å; D669-A673 PolarHBondContact O-N 3.36Å; A673-Q679 PolarHBondContact O-NE2 3.29Å
674	A	96.8	Very high	96.2	Very high	10 Å²	10	68.2 Å²	68.2	8%	0.083	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.3	175.7	0	0	0	0	0	114.2	V652 D653 M654 T670 L671 W672 Q676	V652-A674 HydrophobicContact CG1-CB 3.9Å; D653-A674 PolarHBondContact N-O 2.82Å; M654-A674 HydrophobicContact CG-CB 3.5Å; M654-A674 VanDerWaalsContact CG-CB 3.5Å; M654-A674 HydrophobicContact SD-CB 3.47Å; M654-A674 WeakPolarHBondContact SD-CB 3.46Å; T670-A674 PolarHBondContact O-N 3.16Å; L671-A674 CarbonylContact O-C 3.57Å; L671-A674 PolarHBondContact O-N 2.93Å; L671-A674 VanDerWaalsContact O-N 3.15Å; W672-A674 PolarHBondContact O-N 3.05Å; W672-A674 VanDerWaalsContact O-N 3.16Å; A674-Q676 PolarHBondContact O-N 2.95Å
675	D	97.6	Very high	96.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-74.1	124.5	179.8	171.9	61.9	0	0	0	110.8	L671 W672 L677 T678 Q679 R724	L671-D675 PolarHBondContact O-N 2.77Å; L671-D675 VanDerWaalsContact O-N 3.1Å; W672-D675 VanDerWaalsContact O-CB 3.27Å; W672-D675 WeakPolarHBondContact O-CB 3.32Å; W672-D675 PolarHBondContact O-N 2.85Å; D675-L677 VanDerWaalsContact C-N 3.31Å; D675-L677 PolarHBondContact O-N 3.07Å; D675-L677 WeakPolarHBondContact OD2-CB 3.37Å; D675-L677 PolarHBondContact OD2-N 2.85Å; D675-T678 WeakPolarHBondContact O-CB 3.41Å; D675-T678 PolarHBondContact O-N 3.09Å; D675-T678 VanDerWaalsContact O-N 3.16Å; D675-T678 PolarHBondContact OD2-N 3.25Å; D675-T678 PolarHBondContact OD2-OG1 3.33Å; D675-Q679 WeakPolarHBondContact O-CG 3.24Å; D675-Q679 PolarHBondContact O-N 3.01Å; D675-R724 VanDerWaalsContact CG-NH1 3.3Å; D675-R724 IonicContact OD1-NH1 2.67Å; D675-R724 PolarHBondContact OD1-NH1 3.37Å; D675-R724 IonicContact OD2-CZ 3.47Å; D675-R724 IonicContact OD2-NH1 2.78Å; D675-R724 PolarHBondContact OD2-NH1 3.44Å; D675-R724 IonicContact OD2-NH2 3.23Å; D675-R724 PolarHBondContact OD2-NH2 3.11Å
676	Q	98.2	Very high	96.1	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-36.9	-177.3	-70.9	167.8	-10.5	0	0	112.4	Q611 V614 Y650 R651 D653 A674 T678 Q679 Q680	Q611-Q676 PolarHBondContact O-NE2 2.87Å; V614-Q676 HydrophobicContact CG2-CB 4.37Å; V614-Q676 VanDerWaalsContact CG2-CD 3.44Å; V614-Q676 HydrophobicContact CG2-CG 4.02Å; Y650-Q676 HydrophobicContact CD1-CB 3.83Å; Y650-Q676 HydrophobicContact CG-CB 4.48Å; R651-Q676 VanDerWaalsContact O-CB 3.31Å; R651-Q676 WeakPolarHBondContact O-CB 3.33Å; R651-Q676 WeakPolarHBondContact O-CG 3.24Å; R651-Q676 PolarHBondContact O-N 2.58Å; D653-Q676 HydrophobicContact CB-CG 4.3Å; A674-Q676 PolarHBondContact O-N 2.95Å; Q676-T678 VanDerWaalsContact C-N 3.32Å; Q676-T678 PolarHBondContact O-N 3.06Å; Q676-Q679 PolarHBondContact O-N 2.83Å; Q676-Q680 WeakPolarHBondContact O-CB 3.21Å; Q676-Q680 WeakPolarHBondContact O-CG 3.42Å; Q676-Q680 PolarHBondContact O-N 2.95Å
677	L	97.9	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-44.8	178.4	-179.2	70	0	0	0	110.3	F648 Y650 D675 Q680 R681 I686 F687 R724 L726	F648-L677 HydrophobicContact CD2-CD2 4.21Å; Y650-L677 HydrophobicContact CD1-CB 4.22Å; Y650-L677 HydrophobicContact CD2-CB 3.77Å; Y650-L677 HydrophobicContact CD2-CD1 3.48Å; Y650-L677 VanDerWaalsContact CD2-CD1 3.48Å; Y650-L677 HydrophobicContact CD2-CG 4.13Å; Y650-L677 HydrophobicContact CE1-CD1 4.5Å; Y650-L677 HydrophobicContact CE2-CB 4.44Å; Y650-L677 HydrophobicContact CE2-CD1 3.35Å; Y650-L677 HydrophobicContact CE2-CG 4.45Å; Y650-L677 HydrophobicContact CG-CB 3.65Å; Y650-L677 HydrophobicContact CG-CD1 4.14Å; Y650-L677 HydrophobicContact CG-CG 4.48Å; D675-L677 VanDerWaalsContact C-N 3.31Å; D675-L677 PolarHBondContact O-N 3.07Å; D675-L677 WeakPolarHBondContact OD2-CB 3.37Å; D675-L677 PolarHBondContact OD2-N 2.85Å; L677-Q680 PolarHBondContact O-N 2.83Å; L677-R681 WeakPolarHBondContact O-CB 3.02Å; L677-R681 VanDerWaalsContact O-CG 3.31Å; L677-R681 WeakPolarHBondContact O-CG 3.47Å; L677-R681 PolarHBondContact O-N 2.9Å; L677-I686 HydrophobicContact CD1-CD1 3.41Å; L677-I686 VanDerWaalsContact CD1-CD1 3.41Å; L677-F687 HydrophobicContact CD1-CD2 3.89Å; L677-F687 HydrophobicContact CD1-CE2 3.91Å; L677-R724 HydrophobicContact CD2-CB 4.26Å; L677-R724 HydrophobicContact CD2-CG 3.95Å; L677-L726 HydrophobicContact CD2-CD1 3.95Å
678	T	96.7	Very high	96	Very high	12 Å²	12	49 Å²	49	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-50.7	179.2	-56.8	0	0	0	0	110.9	W672 D675 Q676 Q680 R681 E682	W672-T678 PolarHBondContact NE1-OG1 3.46Å; D675-T678 WeakPolarHBondContact O-CB 3.41Å; D675-T678 PolarHBondContact O-N 3.09Å; D675-T678 VanDerWaalsContact O-N 3.16Å; D675-T678 PolarHBondContact OD2-N 3.25Å; D675-T678 PolarHBondContact OD2-OG1 3.33Å; Q676-T678 VanDerWaalsContact C-N 3.32Å; Q676-T678 PolarHBondContact O-N 3.06Å; T678-Q680 PolarHBondContact O-N 3.33Å; T678-R681 WeakPolarHBondContact O-CB 3.34Å; T678-R681 PolarHBondContact O-N 3.3Å; T678-R681 VanDerWaalsContact O-N 3.16Å; T678-E682 WeakPolarHBondContact O-CG 3.25Å; T678-E682 PolarHBondContact O-N 2.8Å
679	Q	97.2	Very high	95.8	Very high	62 Å²	62	49.6 Å²	49.6	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-41	177.5	-66.3	173.4	-3.4	0	0	113	A673 D675 Q676 R681 E682 T683	A673-Q679 PolarHBondContact O-NE2 3.29Å; D675-Q679 WeakPolarHBondContact O-CG 3.24Å; D675-Q679 PolarHBondContact O-N 3.01Å; Q676-Q679 PolarHBondContact O-N 2.83Å; Q679-R681 VanDerWaalsContact C-N 3.32Å; Q679-R681 PolarHBondContact O-N 3.13Å; Q679-E682 PolarHBondContact O-N 3.07Å; Q679-T683 WeakPolarHBondContact O-CG2 3.4Å; Q679-T683 PolarHBondContact O-N 3.21Å; Q679-T683 VanDerWaalsContact O-N 3.14Å; Q679-T683 PolarHBondContact O-OG1 3.36Å
680	Q	97.6	Very high	95.8	Very high	37 Å²	37	43.8 Å²	43.8	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-29.6	178.2	-68.6	-56.1	-58.1	0	0	112.6	V614 N618 Y650 Q676 L677 T678 T683 N685 I686	V614-Q680 HydrophobicContact CG1-CG 3.62Å; N618-Q680 PolarHBondContact ND2-OE1 2.85Å; Y650-Q680 HydrophobicContact CE1-CG 4.27Å; Q676-Q680 WeakPolarHBondContact O-CB 3.21Å; Q676-Q680 WeakPolarHBondContact O-CG 3.42Å; Q676-Q680 PolarHBondContact O-N 2.95Å; L677-Q680 PolarHBondContact O-N 2.83Å; T678-Q680 PolarHBondContact O-N 3.33Å; Q680-T683 WeakPolarHBondContact CA-OG1 3.44Å; Q680-T683 PolarHBondContact O-OG1 3.32Å; Q680-T683 VanDerWaalsContact O-OG1 3.08Å; Q680-N685 PolarHBondContact O-N 3.49Å; Q680-N685 VanDerWaalsContact O-N 3.07Å; Q680-N685 PolarHBondContact OE1-ND2 3Å; Q680-I686 HydrophobicContact CB-CD1 3.42Å; Q680-I686 VanDerWaalsContact CB-CD1 3.42Å; Q680-I686 HydrophobicContact CB-CG1 3.72Å; Q680-I686 HydrophobicContact CG-CD1 4.42Å
681	R	96.4	Very high	95.8	Very high	56 Å²	56	43.4 Å²	43.4	21%	0.211	25%	0.254	C	S	.	.	H	α-helix	trans	-72.4	-45.1	173	-76.2	174.2	65.4	-149.1	-2	112.1	L677 T678 Q679 T683 G684 I686 F687 F690 E692	L677-R681 WeakPolarHBondContact O-CB 3.02Å; L677-R681 VanDerWaalsContact O-CG 3.31Å; L677-R681 WeakPolarHBondContact O-CG 3.47Å; L677-R681 PolarHBondContact O-N 2.9Å; T678-R681 WeakPolarHBondContact O-CB 3.34Å; T678-R681 PolarHBondContact O-N 3.3Å; T678-R681 VanDerWaalsContact O-N 3.16Å; Q679-R681 VanDerWaalsContact C-N 3.32Å; Q679-R681 PolarHBondContact O-N 3.13Å; R681-T683 PolarHBondContact O-N 3.04Å; R681-G684 PolarHBondContact O-N 3.14Å; R681-I686 HydrophobicContact CG-CD1 4.36Å; R681-I686 HydrophobicContact CG-CG1 3.97Å; R681-F687 HydrophobicContact CG-CB 4.02Å; R681-F690 PolarHBondContact NH2-O 3.09Å; R681-E692 VanDerWaalsContact NH1-CB 3.32Å; R681-E692 IonicContact NH1-OE2 3.2Å; R681-E692 PolarHBondContact NH1-OE2 2.93Å
682	E	94.4	Very high	95.8	Very high	152 Å²	152	44.8 Å²	44.8	71%	0.71	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-34	178.6	-73.1	175.6	169.9	0	0	112.5	T678 Q679 G684	T678-E682 WeakPolarHBondContact O-CG 3.25Å; T678-E682 PolarHBondContact O-N 2.8Å; Q679-E682 PolarHBondContact O-N 3.07Å; E682-G684 VanDerWaalsContact C-N 3.26Å; E682-G684 PolarHBondContact O-N 3.22Å
683	T	95.3	Very high	95.7	Very high	92 Å²	92	41.7 Å²	41.7	56%	0.564	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.8	174.3	50.9	0	0	0	0	113.9	Q679 Q680 R681 N685	Q679-T683 WeakPolarHBondContact O-CG2 3.4Å; Q679-T683 PolarHBondContact O-N 3.21Å; Q679-T683 VanDerWaalsContact O-N 3.14Å; Q679-T683 PolarHBondContact O-OG1 3.36Å; Q680-T683 WeakPolarHBondContact CA-OG1 3.44Å; Q680-T683 PolarHBondContact O-OG1 3.32Å; Q680-T683 VanDerWaalsContact O-OG1 3.08Å; R681-T683 PolarHBondContact O-N 3.04Å; T683-N685 PolarHBondContact OG1-ND2 2.83Å
684	G	94.6	Very high	95.6	Very high	40 Å²	40	41 Å²	41	41%	0.412	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	13.7	177.8	0	0	0	0	0	115.2	R681 E682 V688	R681-G684 PolarHBondContact O-N 3.14Å; E682-G684 VanDerWaalsContact C-N 3.26Å; E682-G684 PolarHBondContact O-N 3.22Å; G684-V688 VanDerWaalsContact O-CG2 3.26Å; G684-V688 WeakPolarHBondContact O-CG2 3.18Å
685	N	94.1	Very high	95.5	Very high	87 Å²	87	40.6 Å²	40.6	47%	0.465	24%	0.235	S	C	.	.	S	Bend	trans	-77.7	-30.2	-176.9	-69.7	-24.3	0	0	0	113.1	Q680 T683	Q680-N685 PolarHBondContact O-N 3.49Å; Q680-N685 VanDerWaalsContact O-N 3.07Å; Q680-N685 PolarHBondContact OE1-ND2 3Å; T683-N685 PolarHBondContact OG1-ND2 2.83Å
686	I	96.7	Very high	95.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	27%	0.267	C	S	.	.	S	Bend	trans	-142.9	159.1	-174.5	61.2	175.3	0	0	0	110.9	N618 Y621 Y650 L677 Q680 R681 V688	N618-I686 HydrophobicContact CB-CG2 3.86Å; N618-I686 VanDerWaalsContact OD1-CG2 3.31Å; N618-I686 WeakPolarHBondContact OD1-CG2 3.41Å; Y621-I686 HydrophobicContact CD1-CB 3.94Å; Y621-I686 HydrophobicContact CD1-CG2 3.83Å; Y621-I686 HydrophobicContact CE1-CB 4.15Å; Y621-I686 HydrophobicContact CE1-CG2 4.41Å; Y621-I686 HydrophobicContact CG-CB 4.34Å; Y621-I686 HydrophobicContact CG-CG2 4.31Å; Y650-I686 HydrophobicContact CE1-CD1 4.02Å; Y650-I686 HydrophobicContact CE2-CD1 4.19Å; Y650-I686 VanDerWaalsContact OH-CD1 3.24Å; Y650-I686 WeakPolarHBondContact OH-CD1 3.46Å; L677-I686 HydrophobicContact CD1-CD1 3.41Å; L677-I686 VanDerWaalsContact CD1-CD1 3.41Å; Q680-I686 HydrophobicContact CB-CD1 3.42Å; Q680-I686 VanDerWaalsContact CB-CD1 3.42Å; Q680-I686 HydrophobicContact CB-CG1 3.72Å; Q680-I686 HydrophobicContact CG-CD1 4.42Å; R681-I686 HydrophobicContact CG-CD1 4.36Å; R681-I686 HydrophobicContact CG-CG1 3.97Å; I686-V688 PolarHBondContact O-N 3.02Å
687	F	95.7	Very high	95.2	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.013	27%	0.266	C	S	.	.	S	Bend	trans	47.5	37.8	173.1	-67.7	-80.8	0	0	0	114	F607 Y621 W644 F648 L677 R681 G689 F690 L726	F607-F687 HydrophobicContact CE2-CE2 4.21Å; F607-F687 HydrophobicContact CE2-CZ 4.13Å; F607-F687 HydrophobicContact CZ-CZ 4.29Å; Y621-F687 AromaticContact CD2-CD1 4Å; Y621-F687 HydrophobicContact CD2-CD1 4Å; Y621-F687 AromaticContact CD2-CD2 3.85Å; Y621-F687 HydrophobicContact CD2-CD2 3.85Å; Y621-F687 AromaticContact CD2-CE1 3.72Å; Y621-F687 HydrophobicContact CD2-CE1 3.72Å; Y621-F687 AromaticContact CD2-CE2 3.57Å; Y621-F687 HydrophobicContact CD2-CE2 3.57Å; Y621-F687 HydrophobicContact CD2-CG 4.06Å; Y621-F687 AromaticContact CD2-CZ 3.5Å; Y621-F687 HydrophobicContact CD2-CZ 3.5Å; Y621-F687 VanDerWaalsContact CD2-CZ 3.5Å; Y621-F687 HydrophobicContact CE2-CB 4.41Å; Y621-F687 AromaticContact CE2-CD1 3.49Å; Y621-F687 HydrophobicContact CE2-CD1 3.49Å; Y621-F687 VanDerWaalsContact CE2-CD1 3.49Å; Y621-F687 AromaticContact CE2-CD2 3.92Å; Y621-F687 HydrophobicContact CE2-CD2 3.92Å; Y621-F687 AromaticContact CE2-CE1 3.62Å; Y621-F687 HydrophobicContact CE2-CE1 3.62Å; Y621-F687 HydrophobicContact CE2-CE2 4.04Å; Y621-F687 AromaticContact CE2-CG 3.65Å; Y621-F687 HydrophobicContact CE2-CG 3.65Å; Y621-F687 AromaticContact CE2-CZ 3.89Å; Y621-F687 HydrophobicContact CE2-CZ 3.89Å; Y621-F687 HydrophobicContact CG-CD2 4.48Å; Y621-F687 HydrophobicContact CG-CE2 4.25Å; Y621-F687 WeakPolarHBondContact OH-CA 3.26Å; Y621-F687 PolarHBondContact OH-N 3.07Å; Y621-F687 VanDerWaalsContact OH-N 3.15Å; W644-F687 HydrophobicContact CB-CE1 4.23Å; W644-F687 AromaticContact CD2-CE1 3.63Å; W644-F687 HydrophobicContact CD2-CE1 3.63Å; W644-F687 HydrophobicContact CD2-CZ 4.25Å; W644-F687 HydrophobicContact CE3-CD1 4.29Å; W644-F687 AromaticContact CE3-CE1 3.67Å; W644-F687 HydrophobicContact CE3-CE1 3.67Å; W644-F687 AromaticContact CG-CE1 3.9Å; W644-F687 HydrophobicContact CG-CE1 3.9Å; W644-F687 HydrophobicContact CZ3-CE1 4.23Å; F648-F687 HydrophobicContact CD2-CE2 4.35Å; F648-F687 HydrophobicContact CD2-CZ 4.1Å; F648-F687 HydrophobicContact CE1-CZ 4.42Å; F648-F687 HydrophobicContact CE2-CE1 4.26Å; F648-F687 HydrophobicContact CE2-CE2 4.33Å; F648-F687 AromaticContact CE2-CZ 3.7Å; F648-F687 HydrophobicContact CE2-CZ 3.7Å; F648-F687 HydrophobicContact CZ-CE1 4.32Å; F648-F687 AromaticContact CZ-CZ 3.86Å; F648-F687 HydrophobicContact CZ-CZ 3.86Å; L677-F687 HydrophobicContact CD1-CD2 3.89Å; L677-F687 HydrophobicContact CD1-CE2 3.91Å; R681-F687 HydrophobicContact CG-CB 4.02Å; F687-G689 PolarHBondContact O-N 2.78Å; F687-F690 HydrophobicContact CB-CB 4.08Å; F687-F690 HydrophobicContact CB-CD2 4.08Å; F687-F690 HydrophobicContact CB-CG 4.2Å; F687-F690 HydrophobicContact CD1-CB 4.49Å; F687-F690 HydrophobicContact CD1-CD1 4.09Å; F687-F690 HydrophobicContact CD1-CD2 4.01Å; F687-F690 HydrophobicContact CD1-CE1 4.33Å; F687-F690 HydrophobicContact CD1-CE2 4.22Å; F687-F690 AromaticContact CD1-CG 3.94Å; F687-F690 HydrophobicContact CD1-CG 3.94Å; F687-F690 HydrophobicContact CD1-CZ 4.39Å; F687-F690 WeakPolarHBondContact O-CB 3.44Å; F687-F690 PolarHBondContact O-N 2.86Å; F687-L726 HydrophobicContact CB-CD2 4.1Å; F687-L726 HydrophobicContact CD1-CD2 4.15Å; F687-L726 HydrophobicContact CG-CD2 4.07Å
688	V	93.2	Very high	95.1	Very high	98 Å²	98	48.8 Å²	48.8	59%	0.594	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	124.4	-179.6	179.7	0	0	0	0	110.1	G684 I686 F690	G684-V688 VanDerWaalsContact O-CG2 3.26Å; G684-V688 WeakPolarHBondContact O-CG2 3.18Å; I686-V688 PolarHBondContact O-N 3.02Å; V688-F690 VanDerWaalsContact C-N 3.3Å; V688-F690 PolarHBondContact O-N 2.94Å
689	G	91.2	Very high	95.2	Very high	50 Å²	50	48.2 Å²	48.2	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	2	-178.5	0	0	0	0	0	115.4	F687	F687-G689 PolarHBondContact O-N 2.78Å
690	F	95.4	Very high	95.2	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.026	26%	0.258	C	S	.	.			trans	-81.4	144.2	169.9	-76.4	-108.8	0	0	0	110.8	F637 V642 W644 R681 F687 V688 L726 F727 W728	F637-F690 AromaticContact CE1-CE2 3.5Å; F637-F690 HydrophobicContact CE1-CE2 3.5Å; F637-F690 AromaticContact CE1-CZ 3.66Å; F637-F690 HydrophobicContact CE1-CZ 3.66Å; F637-F690 AromaticContact CZ-CE2 3.74Å; F637-F690 HydrophobicContact CZ-CE2 3.74Å; F637-F690 AromaticContact CZ-CZ 3.98Å; F637-F690 HydrophobicContact CZ-CZ 3.98Å; V642-F690 HydrophobicContact CG1-CE1 4.13Å; V642-F690 HydrophobicContact CG1-CZ 4.11Å; W644-F690 HydrophobicContact CB-CE1 3.94Å; W644-F690 HydrophobicContact CE3-CE1 4.3Å; W644-F690 AromaticContact CE3-CZ 3.89Å; W644-F690 HydrophobicContact CE3-CZ 3.89Å; R681-F690 PolarHBondContact NH2-O 3.09Å; F687-F690 HydrophobicContact CB-CB 4.08Å; F687-F690 HydrophobicContact CB-CD2 4.08Å; F687-F690 HydrophobicContact CB-CG 4.2Å; F687-F690 HydrophobicContact CD1-CB 4.49Å; F687-F690 HydrophobicContact CD1-CD1 4.09Å; F687-F690 HydrophobicContact CD1-CD2 4.01Å; F687-F690 HydrophobicContact CD1-CE1 4.33Å; F687-F690 HydrophobicContact CD1-CE2 4.22Å; F687-F690 AromaticContact CD1-CG 3.94Å; F687-F690 HydrophobicContact CD1-CG 3.94Å; F687-F690 HydrophobicContact CD1-CZ 4.39Å; F687-F690 WeakPolarHBondContact O-CB 3.44Å; F687-F690 PolarHBondContact O-N 2.86Å; V688-F690 VanDerWaalsContact C-N 3.3Å; V688-F690 PolarHBondContact O-N 2.94Å; F690-L726 HydrophobicContact CB-CB 4.26Å; F690-L726 HydrophobicContact CB-CD2 4.03Å; F690-L726 HydrophobicContact CD1-CB 3.9Å; F690-L726 HydrophobicContact CG-CB 4.48Å; F690-F727 CarbonylContact C-O 3.52Å; F690-F727 WeakPolarHBondContact CA-O 3.36Å; F690-F727 WeakPolarHBondContact CB-O 3.31Å; F690-F727 VanDerWaalsContact CD1-C 3.41Å; F690-F727 WeakPolarHBondContact CD1-O 3.48Å; F690-W728 HydrophobicContact CD1-CB 3.7Å; F690-W728 HydrophobicContact CD2-CB 3.95Å; F690-W728 HydrophobicContact CD2-CG 4.39Å; F690-W728 HydrophobicContact CE1-CB 3.6Å; F690-W728 HydrophobicContact CE2-CB 3.87Å; F690-W728 HydrophobicContact CE2-CG 4.24Å; F690-W728 HydrophobicContact CG-CB 3.87Å; F690-W728 HydrophobicContact CZ-CB 3.69Å; F690-W728 HydrophobicContact CZ-CG 4.4Å
691	D	94.8	Very high	95.2	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	156.9	170.7	-74.1	-11.2	0	0	0	111.1	L726 F727 R738	D691-L726 WeakPolarHBondContact O-CA 3.43Å; D691-F727 HydrophobicContact CB-CD1 3.87Å; D691-F727 HydrophobicContact CB-CE1 3.28Å; D691-F727 HydrophobicContact CB-CE2 4.08Å; D691-F727 HydrophobicContact CB-CZ 3.4Å; D691-F727 VanDerWaalsContact CB-CZ 3.4Å; D691-F727 PolarHBondContact N-O 2.97Å; D691-F727 PolarHBondContact O-N 3.48Å; D691-F727 WeakPolarHBondContact OD2-CZ 3.43Å; D691-R738 IonicContact OD1-NH2 2.94Å; D691-R738 IonicContact OD2-CZ 2.68Å; D691-R738 IonicContact OD2-NE 3.83Å; D691-R738 IonicContact OD2-NH2 3.88Å; D691-R738 PolarHBondContact OD2-NH2 3.12Å
692	E	96.5	Very high	95.1	Very high	29 Å²	29	43.4 Å²	43.4	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.4	175.3	-168.3	172.7	-152.5	0	0	109.3	R681 R724 L726 Y745	R681-E692 VanDerWaalsContact NH1-CB 3.32Å; R681-E692 IonicContact NH1-OE2 3.2Å; R681-E692 PolarHBondContact NH1-OE2 2.93Å; E692-R724 IonicContact OE1-CZ 4Å; E692-R724 IonicContact OE1-NE 3.05Å; E692-R724 PolarHBondContact OE1-NE 3.16Å; E692-R724 IonicContact OE1-NH2 3.3Å; E692-R724 PolarHBondContact OE1-NH2 2.94Å; E692-R724 IonicContact OE2-CZ 3.39Å; E692-R724 IonicContact OE2-NH2 2.66Å; E692-R724 PolarHBondContact OE2-NH2 3.26Å; E692-L726 HydrophobicContact CB-CD2 4.39Å; E692-L726 HydrophobicContact CB-CG 4.05Å; E692-L726 HydrophobicContact CG-CD1 4.48Å; E692-L726 HydrophobicContact CG-CG 4.15Å; E692-Y745 HydrophobicContact CG-CE1 3.94Å
693	G	94.3	Very high	95.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	22%	0.218	C	C	.	.			trans	-70.3	164.3	171.7	0	0	0	0	0	112.7	Y745	G693-Y745 WeakPolarHBondContact O-CD1 3.47Å
694	P	94.1	Very high	95	Very high	54 Å²	54	33.7 Å²	33.7	35%	0.351	20%	0.2	S	C	.	.			trans	-67.9	138.7	176.1	31.1	-36	0	0	0	112.1	W672 E696	W672-P694 VanDerWaalsContact CH2-CA 3.48Å; W672-P694 HydrophobicContact CH2-CB 3.93Å; W672-P694 HydrophobicContact CZ3-CB 3.79Å; P694-E696 VanDerWaalsContact C-N 3.3Å; P694-E696 HydrophobicContact CB-CG 4.01Å; P694-E696 HydrophobicContact CG-CG 4.3Å; P694-E696 PolarHBondContact O-N 2.84Å
695	L	94.8	Very high	94.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.201	C	C	.	.			trans	-83.6	66.3	-179.8	-67.6	178.2	0	0	0	111.9	W668 W672 F697 W721 Y745	W668-L695 WeakPolarHBondContact CB-O 3.13Å; W672-L695 HydrophobicContact CD2-CB 4.21Å; W672-L695 HydrophobicContact CD2-CD1 4.39Å; W672-L695 HydrophobicContact CD2-CG 4.43Å; W672-L695 HydrophobicContact CE3-CB 4.38Å; W672-L695 HydrophobicContact CG-CB 4.42Å; W672-L695 HydrophobicContact CG-CD1 4.06Å; L695-F697 HydrophobicContact CD2-CE1 4.08Å; L695-F697 HydrophobicContact CD2-CE2 4.21Å; L695-F697 HydrophobicContact CD2-CZ 3.57Å; L695-F697 PolarHBondContact O-N 2.87Å; L695-W721 HydrophobicContact CB-CZ2 4.22Å; L695-W721 HydrophobicContact CD1-CB 4.38Å; L695-W721 HydrophobicContact CD1-CD2 3.87Å; L695-W721 HydrophobicContact CD1-CE3 3.95Å; L695-W721 HydrophobicContact CD1-CG 4.08Å; L695-W721 HydrophobicContact CD1-CZ3 4.36Å; L695-W721 HydrophobicContact CD2-CG 4.37Å; L695-Y745 HydrophobicContact CD2-CE1 3.71Å
696	E	93.4	Very high	94.2	Very high	146 Å²	146	34.9 Å²	34.9	68%	0.682	20%	0.2	S	C	*	.			trans	-88.2	21.2	-176.1	-60.2	-176.7	158.2	0	0	114	W668 P694	W668-E696 PolarHBondContact NE1-O 3.39Å; P694-E696 VanDerWaalsContact C-N 3.3Å; P694-E696 HydrophobicContact CB-CG 4.01Å; P694-E696 HydrophobicContact CG-CG 4.3Å; P694-E696 PolarHBondContact O-N 2.84Å
697	F	94.9	Very high	93.9	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	21%	0.212	C	C	.	.	S	Bend	trans	-131.1	154.5	-176.2	52.4	-93.7	0	0	0	111.4	L695 T700 W721 Y745 N746 R747 V758	L695-F697 HydrophobicContact CD2-CE1 4.08Å; L695-F697 HydrophobicContact CD2-CE2 4.21Å; L695-F697 HydrophobicContact CD2-CZ 3.57Å; L695-F697 PolarHBondContact O-N 2.87Å; F697-T700 HydrophobicContact CD2-CG2 4.41Å; F697-T700 HydrophobicContact CE2-CG2 4.1Å; F697-W721 AromaticContact CD2-CD1 3.99Å; F697-W721 AromaticContact CD2-NE1 3.74Å; F697-W721 AromaticContact CE2-CD1 3.58Å; F697-W721 AromaticContact CE2-NE1 3.76Å; F697-W721 WeakPolarHBondContact O-CZ2 3.3Å; F697-W721 PolarHBondContact O-NE1 3.43Å; F697-Y745 AromaticContact CE1-CD1 3.93Å; F697-Y745 HydrophobicContact CE1-CD1 3.93Å; F697-Y745 HydrophobicContact CE1-CE1 4.06Å; F697-Y745 HydrophobicContact CE1-CG 4.19Å; F697-Y745 HydrophobicContact CZ-CD1 4.36Å; F697-Y745 HydrophobicContact CZ-CE1 4.03Å; F697-Y745 HydrophobicContact CZ-CE2 4.37Å; F697-N746 WeakPolarHBondContact CB-OD1 3.22Å; F697-R747 HydrophobicContact CB-CG 4.26Å; F697-R747 HydrophobicContact CD2-CB 4.18Å; F697-R747 HydrophobicContact CD2-CG 4.29Å; F697-R747 HydrophobicContact CG-CG 4.49Å; F697-V758 HydrophobicContact CE2-CG2 4.45Å; F697-V758 HydrophobicContact CZ-CG1 4.47Å
698	P	96.1	Very high	93.7	Very high	32 Å²	32	40.6 Å²	40.6	21%	0.208	23%	0.233	C	C	.	.			trans	-63.1	150.2	-177.4	-14.5	24.4	0	0	0	113	W668 T700 R747	W668-P698 HydrophobicContact CH2-CB 3.63Å; W668-P698 HydrophobicContact CH2-CG 3.61Å; W668-P698 HydrophobicContact CZ2-CB 4.36Å; W668-P698 HydrophobicContact CZ2-CG 3.88Å; W668-P698 HydrophobicContact CZ3-CB 4.06Å; W668-P698 HydrophobicContact CZ3-CG 4.47Å; P698-T700 PolarHBondContact O-N 2.85Å; P698-R747 WeakPolarHBondContact O-CD 3.45Å; P698-R747 PolarHBondContact O-NH1 2.89Å
699	P	97.5	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.			trans	-44.5	138.1	174.8	-33.8	38.8	0	0	0	113.6	I663 L671 Y703 Y710 P719 W721 R747	I663-P699 HydrophobicContact CD1-CG 3.85Å; I663-P699 HydrophobicContact CG1-CG 4.1Å; L671-P699 HydrophobicContact CD1-CG 4.44Å; P699-Y703 WeakPolarHBondContact O-CE2 3.4Å; P699-Y703 PolarHBondContact O-OH 2.95Å; P699-Y710 HydrophobicContact CB-CE1 4.36Å; P699-Y710 PolarHBondContact O-OH 3.15Å; P699-P719 HydrophobicContact CB-CB 3.89Å; P699-P719 HydrophobicContact CG-CB 4.23Å; P699-W721 HydrophobicContact CG-CD2 4.26Å; P699-W721 HydrophobicContact CG-CZ2 4.21Å; P699-R747 PolarHBondContact O-NH1 3.33Å
700	T	97.3	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.			trans	-88.9	-10.8	-169.7	57.7	0	0	0	0	113.2	F697 P698 Y703 A720 D723 R747 H755 R756 V758	F697-T700 HydrophobicContact CD2-CG2 4.41Å; F697-T700 HydrophobicContact CE2-CG2 4.1Å; P698-T700 PolarHBondContact O-N 2.85Å; T700-Y703 WeakPolarHBondContact O-CE2 3.27Å; T700-A720 PolarHBondContact N-O 3.47Å; T700-A720 VanDerWaalsContact N-O 3.07Å; T700-D723 WeakPolarHBondContact CB-OD2 3.37Å; T700-D723 PolarHBondContact OG1-N 3.08Å; T700-D723 PolarHBondContact OG1-OD2 3.02Å; T700-R747 HydrophobicContact CG2-CB 4.43Å; T700-H755 CarbonylContact O-C 3.51Å; T700-H755 VanDerWaalsContact O-CA 3.25Å; T700-H755 WeakPolarHBondContact O-CA 3.35Å; T700-R756 HydrophobicContact CG2-CB 4.5Å; T700-R756 PolarHBondContact O-N 3.44Å; T700-V758 HydrophobicContact CG2-CG2 3.45Å; T700-V758 VanDerWaalsContact CG2-CG2 3.45Å
701	Y	97.4	Very high	93.8	Very high	16 Å²	16	38.1 Å²	38.1	6%	0.063	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-140.6	153.1	-178.2	176.8	-105.4	0	0	0	110.1	R717 P719 A720 T722 H755	Y701-R717 WeakPolarHBondContact OH-CD 3.21Å; Y701-R717 PolarHBondContact OH-NE 2.79Å; Y701-P719 CarbonylContact O-C 3.47Å; Y701-P719 WeakPolarHBondContact O-CA 3.31Å; Y701-A720 PolarHBondContact N-O 2.96Å; Y701-A720 VanDerWaalsContact N-O 3.07Å; Y701-A720 PolarHBondContact O-N 3.3Å; Y701-T722 WeakPolarHBondContact CB-OG1 3.32Å; Y701-T722 HydrophobicContact CD1-CG2 3.72Å; Y701-T722 HydrophobicContact CG-CG2 3.96Å; Y701-H755 AromaticContact CD2-CD2 3.59Å; Y701-H755 AromaticContact CD2-CE1 3.29Å; Y701-H755 WeakPolarHBondContact CD2-CE1 3.34Å; Y701-H755 AromaticContact CD2-ND1 3.85Å; Y701-H755 AromaticContact CD2-NE2 3.08Å; Y701-H755 WeakPolarHBondContact CD2-NE2 3.43Å; Y701-H755 AromaticContact CE2-CE1 3.9Å; Y701-H755 AromaticContact CE2-NE2 3.34Å; Y701-H755 VanDerWaalsContact CE2-NE2 3.34Å; Y701-H755 WeakPolarHBondContact CE2-NE2 3.06Å; Y701-H755 AromaticContact CG-CE1 3.76Å
702	K	95.3	Very high	93.6	Very high	38 Å²	38	40.3 Å²	40.3	17%	0.165	22%	0.223	C	C	.	.			cis	-105	128.6	-12.2	-174.9	178.7	169.1	179.7	0	109.8	Y710 D711 R717 D754	K702-Y710 CarbonylContact O-C 3.59Å; K702-Y710 VanDerWaalsContact O-CA 3.26Å; K702-Y710 WeakPolarHBondContact O-CA 3.43Å; K702-Y710 WeakPolarHBondContact O-CD1 3.48Å; K702-D711 HydrophobicContact CB-CB 4.15Å; K702-D711 HydrophobicContact CD-CB 4.26Å; K702-D711 HydrophobicContact CG-CB 4.29Å; K702-D711 PolarHBondContact O-N 2.84Å; K702-R717 HydrophobicContact CB-CB 4.34Å; K702-D754 WeakPolarHBondContact CE-OD2 3.28Å; K702-D754 HydrophobicContact CG-CB 3.92Å; K702-D754 IonicContact NZ-OD2 2.65Å
703	Y	95	Very high	93.3	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.016	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-95.1	154.9	174	-70.3	-83.8	0	0	0	112.4	P699 T700 D708 S709 Y710 R747 D754 R756	P699-Y703 WeakPolarHBondContact O-CE2 3.4Å; P699-Y703 PolarHBondContact O-OH 2.95Å; T700-Y703 WeakPolarHBondContact O-CE2 3.27Å; Y703-D708 WeakPolarHBondContact CE1-O 3.37Å; Y703-S709 WeakPolarHBondContact CA-O 3.16Å; Y703-Y710 HydrophobicContact CD1-CD1 4.23Å; Y703-Y710 HydrophobicContact CD1-CE1 4.35Å; Y703-Y710 HydrophobicContact CD2-CE1 4.44Å; Y703-Y710 AromaticContact CE1-CD1 3.91Å; Y703-Y710 HydrophobicContact CE1-CD1 3.91Å; Y703-Y710 AromaticContact CE1-CE1 3.64Å; Y703-Y710 HydrophobicContact CE1-CE1 3.64Å; Y703-Y710 HydrophobicContact CE1-CE2 4.37Å; Y703-Y710 HydrophobicContact CE1-CG 4.41Å; Y703-Y710 AromaticContact CE1-CZ 3.91Å; Y703-Y710 HydrophobicContact CE2-CD1 4.34Å; Y703-Y710 AromaticContact CE2-CE1 3.76Å; Y703-Y710 HydrophobicContact CE2-CE1 3.76Å; Y703-Y710 AromaticContact CZ-CD1 3.97Å; Y703-Y710 AromaticContact CZ-CE1 3.29Å; Y703-Y710 AromaticContact CZ-CZ 3.64Å; Y703-Y710 VanDerWaalsContact OH-CE1 3.28Å; Y703-Y710 WeakPolarHBondContact OH-CE1 3.44Å; Y703-Y710 PolarHBondContact OH-OH 3.12Å; Y703-R747 PolarHBondContact OH-NH1 3.11Å; Y703-R747 PolarHBondContact OH-NH2 3.38Å; Y703-D754 PolarHBondContact N-O 3.38Å; Y703-D754 WeakPolarHBondContact O-CA 3.02Å; Y703-D754 WeakPolarHBondContact O-CB 3.37Å; Y703-R756 HydrophobicContact CD2-CG 4.03Å; Y703-R756 HydrophobicContact CE2-CG 3.62Å
704	D	92.6	Very high	93	Very high	37 Å²	37	51 Å²	51	20%	0.198	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.2	134.5	156.6	-63.5	-28.5	0	0	0	108.7	F706 S707 S709 T712	D704-F706 PolarHBondContact O-N 3.48Å; D704-S707 WeakPolarHBondContact O-CB 3.33Å; D704-S707 PolarHBondContact O-N 2.97Å; D704-S707 VanDerWaalsContact O-N 3.07Å; D704-S709 PolarHBondContact N-O 3.5Å; D704-T712 PolarHBondContact OD1-N 2.86Å; D704-T712 VanDerWaalsContact OD1-N 3.1Å; D704-T712 VanDerWaalsContact OD2-CB 3.29Å; D704-T712 WeakPolarHBondContact OD2-CB 3.45Å; D704-T712 WeakPolarHBondContact OD2-CG2 3.33Å; D704-T712 PolarHBondContact OD2-N 3.4Å; D704-T712 PolarHBondContact OD2-OG1 3.12Å
705	A	85.6	Confident	92.8	Very high	51 Å²	51	55.7 Å²	55.7	42%	0.421	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.2	-179	0	0	0	0	0	110.9	S707	A705-S707 PolarHBondContact O-N 3.43Å
706	F	86.5	Confident	92.6	Very high	101 Å²	101	58.2 Å²	58.2	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	13.6	-176.2	-46.3	-81.5	0	0	0	115.1	V473 D704 K751 T752	V473-F706 HydrophobicContact CB-CE1 4.43Å; V473-F706 HydrophobicContact CG1-CD1 4.14Å; V473-F706 HydrophobicContact CG1-CE1 3.97Å; D704-F706 PolarHBondContact O-N 3.48Å; F706-K751 VanDerWaalsContact CA-O 3.29Å; F706-K751 WeakPolarHBondContact CA-O 3.47Å; F706-K751 PolarHBondContact N-O 3.3Å; F706-T752 HydrophobicContact CE1-CG2 3.97Å
707	S	89.8	Confident	92.6	Very high	36 Å²	36	54.7 Å²	54.7	25%	0.252	30%	0.295	S	S	.	.	S	Bend	trans	-127.9	159.6	-177.8	-177.3	0	0	0	0	111.8	D704 A705 S709 R756	D704-S707 WeakPolarHBondContact O-CB 3.33Å; D704-S707 PolarHBondContact O-N 2.97Å; D704-S707 VanDerWaalsContact O-N 3.07Å; A705-S707 PolarHBondContact O-N 3.43Å; S707-S709 WeakPolarHBondContact OG-CB 3.49Å; S707-S709 PolarHBondContact OG-N 2.9Å; S707-S709 PolarHBondContact OG-OG 2.81Å; S707-R756 PolarHBondContact O-NH2 3.09Å
708	D	91.8	Very high	92.6	Very high	88 Å²	88	56.3 Å²	56.3	47%	0.471	30%	0.303	S	S	.	.	S	Bend	trans	-92.9	0.4	167.8	-62.7	-39.7	0	0	0	112.6	Y703 K751 R756	Y703-D708 WeakPolarHBondContact CE1-O 3.37Å; D708-K751 VanDerWaalsContact CG-NZ 3.25Å; D708-K751 WeakPolarHBondContact OD1-CD 3.28Å; D708-K751 WeakPolarHBondContact OD1-CE 3.36Å; D708-K751 IonicContact OD1-NZ 2.91Å; D708-K751 PolarHBondContact OD1-NZ 2.88Å; D708-K751 VanDerWaalsContact OD1-NZ 3.1Å; D708-K751 IonicContact OD2-NZ 2.87Å; D708-K751 PolarHBondContact OD2-NZ 3.02Å; D708-R756 IonicContact OD1-CZ 3.78Å; D708-R756 IonicContact OD1-NH2 3.74Å; D708-R756 PolarHBondContact OD1-NH2 2.94Å
709	S	93.8	Very high	92.7	Very high	59 Å²	59	54.8 Å²	54.8	41%	0.413	29%	0.293	S	S	.	.	S	Bend	trans	-77.9	135.7	175.8	-57.1	0	0	0	0	110.8	Y703 D704 S707	Y703-S709 WeakPolarHBondContact CA-O 3.16Å; D704-S709 PolarHBondContact N-O 3.5Å; S707-S709 WeakPolarHBondContact OG-CB 3.49Å; S707-S709 PolarHBondContact OG-N 2.9Å; S707-S709 PolarHBondContact OG-OG 2.81Å
710	Y	94.9	Very high	92.7	Very high	38 Å²	38	54.8 Å²	54.8	15%	0.149	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-75.7	146.5	169.7	-66.5	-77.2	0	0	0	111	I663 P699 K702 Y703 T712 P719	I663-Y710 HydrophobicContact CD1-CD2 4.48Å; I663-Y710 HydrophobicContact CD1-CE2 3.76Å; I663-Y710 HydrophobicContact CG2-CE2 4.05Å; P699-Y710 HydrophobicContact CB-CE1 4.36Å; P699-Y710 PolarHBondContact O-OH 3.15Å; K702-Y710 CarbonylContact O-C 3.59Å; K702-Y710 VanDerWaalsContact O-CA 3.26Å; K702-Y710 WeakPolarHBondContact O-CA 3.43Å; K702-Y710 WeakPolarHBondContact O-CD1 3.48Å; Y703-Y710 HydrophobicContact CD1-CD1 4.23Å; Y703-Y710 HydrophobicContact CD1-CE1 4.35Å; Y703-Y710 HydrophobicContact CD2-CE1 4.44Å; Y703-Y710 AromaticContact CE1-CD1 3.91Å; Y703-Y710 HydrophobicContact CE1-CD1 3.91Å; Y703-Y710 AromaticContact CE1-CE1 3.64Å; Y703-Y710 HydrophobicContact CE1-CE1 3.64Å; Y703-Y710 HydrophobicContact CE1-CE2 4.37Å; Y703-Y710 HydrophobicContact CE1-CG 4.41Å; Y703-Y710 AromaticContact CE1-CZ 3.91Å; Y703-Y710 HydrophobicContact CE2-CD1 4.34Å; Y703-Y710 AromaticContact CE2-CE1 3.76Å; Y703-Y710 HydrophobicContact CE2-CE1 3.76Å; Y703-Y710 AromaticContact CZ-CD1 3.97Å; Y703-Y710 AromaticContact CZ-CE1 3.29Å; Y703-Y710 AromaticContact CZ-CZ 3.64Å; Y703-Y710 VanDerWaalsContact OH-CE1 3.28Å; Y703-Y710 WeakPolarHBondContact OH-CE1 3.44Å; Y703-Y710 PolarHBondContact OH-OH 3.12Å; Y710-T712 PolarHBondContact O-N 2.77Å; Y710-T712 VanDerWaalsContact O-N 3.11Å; Y710-P719 HydrophobicContact CD1-CB 3.76Å; Y710-P719 HydrophobicContact CD1-CG 3.67Å; Y710-P719 HydrophobicContact CD2-CG 3.98Å; Y710-P719 HydrophobicContact CE1-CB 3.7Å; Y710-P719 HydrophobicContact CE1-CG 4.07Å; Y710-P719 HydrophobicContact CE2-CG 4.36Å; Y710-P719 HydrophobicContact CG-CB 4.19Å; Y710-P719 HydrophobicContact CG-CG 3.61Å
711	D	92.9	Very high	92.7	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.027	29%	0.293	C	S	.	.			trans	-17.6	96.8	-174.3	-166	5.1	0	0	0	114.6	K702 S713 R717	K702-D711 HydrophobicContact CB-CB 4.15Å; K702-D711 HydrophobicContact CD-CB 4.26Å; K702-D711 HydrophobicContact CG-CB 4.29Å; K702-D711 PolarHBondContact O-N 2.84Å; D711-S713 VanDerWaalsContact C-N 3.26Å; D711-S713 WeakPolarHBondContact OD1-CB 3.39Å; D711-S713 PolarHBondContact OD1-N 3.13Å; D711-S713 PolarHBondContact OD1-OG 3.01Å; D711-S713 PolarHBondContact OD2-OG 3.11Å; D711-R717 HydrophobicContact CB-CB 4.36Å; D711-R717 WeakPolarHBondContact OD2-CB 3.4Å; D711-R717 VanDerWaalsContact OD2-CG 3.31Å; D711-R717 WeakPolarHBondContact OD2-CG 3.33Å; D711-R717 PolarHBondContact OD2-N 2.86Å; D711-R717 VanDerWaalsContact OD2-N 3.12Å; D711-R717 IonicContact OD2-NH1 3.25Å; D711-R717 PolarHBondContact OD2-NH1 2.95Å
712	T	91.1	Very high	92.8	Very high	108 Å²	108	54 Å²	54	66%	0.663	29%	0.29	S	S	*	.			trans	-86.7	3.2	175.6	61.9	0	0	0	0	112.7	D704 Y710	D704-T712 PolarHBondContact OD1-N 2.86Å; D704-T712 VanDerWaalsContact OD1-N 3.1Å; D704-T712 VanDerWaalsContact OD2-CB 3.29Å; D704-T712 WeakPolarHBondContact OD2-CB 3.45Å; D704-T712 WeakPolarHBondContact OD2-CG2 3.33Å; D704-T712 PolarHBondContact OD2-N 3.4Å; D704-T712 PolarHBondContact OD2-OG1 3.12Å; Y710-T712 PolarHBondContact O-N 2.77Å; Y710-T712 VanDerWaalsContact O-N 3.11Å
713	S	91.2	Very high	92.9	Very high	50 Å²	50	52.2 Å²	52.2	35%	0.35	28%	0.282	S	S	.	.	S	Bend	trans	-68.9	165.6	174.9	79.4	0	0	0	0	112.1	D711 K715 A716	D711-S713 VanDerWaalsContact C-N 3.26Å; D711-S713 WeakPolarHBondContact OD1-CB 3.39Å; D711-S713 PolarHBondContact OD1-N 3.13Å; D711-S713 PolarHBondContact OD1-OG 3.01Å; D711-S713 PolarHBondContact OD2-OG 3.11Å; S713-K715 PolarHBondContact O-N 2.74Å; S713-K715 PolarHBondContact OG-N 2.82Å; S713-A716 PolarHBondContact O-N 3Å
714	E	87.9	Confident	93.1	Very high	204 Å²	204	52 Å²	52	95%	0.953	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.5	176.1	-62.4	179.9	173.8	0	0	113.8	A716	E714-A716 VanDerWaalsContact C-N 3.33Å
715	K	89	Confident	93.4	Very high	152 Å²	152	50.3 Å²	50.3	66%	0.661	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.1	177.9	-67.6	-175.3	178.7	179.6	0	113	S713 R717	S713-K715 PolarHBondContact O-N 2.74Å; S713-K715 PolarHBondContact OG-N 2.82Å; K715-R717 VanDerWaalsContact C-N 3.28Å; K715-R717 HydrophobicContact CB-CG 4.5Å; K715-R717 PolarHBondContact O-N 2.83Å; K715-R717 VanDerWaalsContact O-N 3.09Å
716	A	89.9	Confident	94	Very high	55 Å²	55	47.9 Å²	47.9	46%	0.455	25%	0.253	S	S	.	.			trans	38	53.7	176.3	0	0	0	0	0	113.5	S713 E714 I718	S713-A716 PolarHBondContact O-N 3Å; E714-A716 VanDerWaalsContact C-N 3.33Å; A716-I718 PolarHBondContact O-N 2.87Å
717	R	93.5	Very high	94.5	Very high	71 Å²	71	43.5 Å²	43.5	27%	0.268	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-59.6	136.8	-174.8	-70	-179	-178.3	88.7	-11.8	110.9	Y701 K702 D711 K715	Y701-R717 WeakPolarHBondContact OH-CD 3.21Å; Y701-R717 PolarHBondContact OH-NE 2.79Å; K702-R717 HydrophobicContact CB-CB 4.34Å; D711-R717 HydrophobicContact CB-CB 4.36Å; D711-R717 WeakPolarHBondContact OD2-CB 3.4Å; D711-R717 VanDerWaalsContact OD2-CG 3.31Å; D711-R717 WeakPolarHBondContact OD2-CG 3.33Å; D711-R717 PolarHBondContact OD2-N 2.86Å; D711-R717 VanDerWaalsContact OD2-N 3.12Å; D711-R717 IonicContact OD2-NH1 3.25Å; D711-R717 PolarHBondContact OD2-NH1 2.95Å; K715-R717 VanDerWaalsContact C-N 3.28Å; K715-R717 HydrophobicContact CB-CG 4.5Å; K715-R717 PolarHBondContact O-N 2.83Å; K715-R717 VanDerWaalsContact O-N 3.09Å
718	I	96.3	Very high	94.8	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.195	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-64.2	130.5	177.6	-59	165.9	0	0	0	108.8	M654 V659 A716 A720	M654-I718 WeakPolarHBondContact O-CD1 3.44Å; V659-I718 HydrophobicContact CB-CG2 4.02Å; V659-I718 HydrophobicContact CG1-CG2 4.1Å; V659-I718 HydrophobicContact CG2-CG2 3.69Å; A716-I718 PolarHBondContact O-N 2.87Å; I718-A720 PolarHBondContact O-N 3.19Å
719	P	97.4	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-56.4	136.4	174.7	-27.1	35.3	0	0	0	112.7	V659 K660 I663 P699 Y701 Y710	V659-P719 HydrophobicContact CG1-CB 3.86Å; V659-P719 HydrophobicContact CG1-CG 4.03Å; K660-P719 HydrophobicContact CG-CG 4.48Å; I663-P719 HydrophobicContact CD1-CB 3.56Å; I663-P719 HydrophobicContact CD1-CG 3.83Å; P699-P719 HydrophobicContact CB-CB 3.89Å; P699-P719 HydrophobicContact CG-CB 4.23Å; Y701-P719 CarbonylContact O-C 3.47Å; Y701-P719 WeakPolarHBondContact O-CA 3.31Å; Y710-P719 HydrophobicContact CD1-CB 3.76Å; Y710-P719 HydrophobicContact CD1-CG 3.67Å; Y710-P719 HydrophobicContact CD2-CG 3.98Å; Y710-P719 HydrophobicContact CE1-CB 3.7Å; Y710-P719 HydrophobicContact CE1-CG 4.07Å; Y710-P719 HydrophobicContact CE2-CG 4.36Å; Y710-P719 HydrophobicContact CG-CB 4.19Å; Y710-P719 HydrophobicContact CG-CG 3.61Å
720	A	97.7	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-147.6	153.5	-176.2	0	0	0	0	0	113.8	R651 V652 T700 Y701 I718 T722	R651-A720 HydrophobicContact CB-CB 4.29Å; V652-A720 HydrophobicContact CG2-CB 4.49Å; T700-A720 PolarHBondContact N-O 3.47Å; T700-A720 VanDerWaalsContact N-O 3.07Å; Y701-A720 PolarHBondContact N-O 2.96Å; Y701-A720 VanDerWaalsContact N-O 3.07Å; Y701-A720 PolarHBondContact O-N 3.3Å; I718-A720 PolarHBondContact O-N 3.19Å; A720-T722 HydrophobicContact CB-CG2 4.1Å; A720-T722 PolarHBondContact O-N 3.18Å
721	W	98	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.			trans	-86.3	81.9	167.1	-66.8	-79.1	0	0	0	110.3	V652 W668 L671 W672 L695 F697 P699 R724	V652-W721 HydrophobicContact CG2-CE3 4.03Å; V652-W721 HydrophobicContact CG2-CZ3 4.23Å; W668-W721 HydrophobicContact CE3-CH2 4.47Å; W668-W721 HydrophobicContact CE3-CZ2 4.06Å; L671-W721 HydrophobicContact CB-CH2 3.36Å; L671-W721 HydrophobicContact CB-CZ3 3.44Å; L671-W721 VanDerWaalsContact CB-CZ3 3.44Å; L671-W721 HydrophobicContact CD1-CH2 4.11Å; L671-W721 HydrophobicContact CG-CH2 4.38Å; W672-W721 HydrophobicContact CB-CZ3 4.5Å; L695-W721 HydrophobicContact CB-CZ2 4.22Å; L695-W721 HydrophobicContact CD1-CB 4.38Å; L695-W721 HydrophobicContact CD1-CD2 3.87Å; L695-W721 HydrophobicContact CD1-CE3 3.95Å; L695-W721 HydrophobicContact CD1-CG 4.08Å; L695-W721 HydrophobicContact CD1-CZ3 4.36Å; L695-W721 HydrophobicContact CD2-CG 4.37Å; F697-W721 AromaticContact CD2-CD1 3.99Å; F697-W721 AromaticContact CD2-NE1 3.74Å; F697-W721 AromaticContact CE2-CD1 3.58Å; F697-W721 AromaticContact CE2-NE1 3.76Å; F697-W721 WeakPolarHBondContact O-CZ2 3.3Å; F697-W721 PolarHBondContact O-NE1 3.43Å; P699-W721 HydrophobicContact CG-CD2 4.26Å; P699-W721 HydrophobicContact CG-CZ2 4.21Å; W721-R724 WeakPolarHBondContact O-CD 3.34Å; W721-R724 PolarHBondContact O-NH1 2.8Å
722	T	98.1	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.			trans	-80.5	-30.3	178.7	50.3	0	0	0	0	112.5	D647 F648 N649 Y701 A720 H755	D647-T722 CarbonylContact C-O 3.56Å; D647-T722 WeakPolarHBondContact CA-O 3.25Å; D647-T722 WeakPolarHBondContact OD1-CB 3.27Å; F648-T722 PolarHBondContact N-O 3.48Å; N649-T722 PolarHBondContact N-O 3.49Å; Y701-T722 WeakPolarHBondContact CB-OG1 3.32Å; Y701-T722 HydrophobicContact CD1-CG2 3.72Å; Y701-T722 HydrophobicContact CG-CG2 3.96Å; A720-T722 HydrophobicContact CB-CG2 4.1Å; A720-T722 PolarHBondContact O-N 3.18Å; T722-H755 PolarHBondContact OG1-CE1 3.13Å; T722-H755 VanDerWaalsContact OG1-CE1 3.28Å; T722-H755 PolarHBondContact OG1-ND1 2.89Å
723	D	98.4	Very high	90	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.4	-173.3	-55	-88.7	0	0	0	110.2	T460 G646 T700 H755 V758	T460-D723 HydrophobicContact CG2-CB 4.06Å; G646-D723 WeakPolarHBondContact O-CA 3.49Å; T700-D723 WeakPolarHBondContact CB-OD2 3.37Å; T700-D723 PolarHBondContact OG1-N 3.08Å; T700-D723 PolarHBondContact OG1-OD2 3.02Å; D723-H755 IonicContact OD1-ND1 2.86Å; D723-H755 PolarHBondContact OD1-ND1 3.17Å; D723-H755 IonicContact OD2-CE1 3.78Å; D723-H755 IonicContact OD2-CG 3.47Å; D723-H755 IonicContact OD2-ND1 2.78Å; D723-H755 PolarHBondContact OD2-ND1 3.38Å; D723-V758 HydrophobicContact CB-CB 4.29Å; D723-V758 HydrophobicContact CB-CG2 3.71Å
724	R	98.5	Very high	87.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.8	-165.7	-52.3	-64	-75.2	-90.4	-2.6	112.4	F645 G646 F648 D675 L677 E692 W721 L726 Y745	F645-R724 CarbonylContact C-O 3.53Å; F645-R724 WeakPolarHBondContact CA-O 3.47Å; F645-R724 VanDerWaalsContact CB-O 3.22Å; F645-R724 WeakPolarHBondContact CB-O 3.44Å; G646-R724 PolarHBondContact N-O 3.08Å; G646-R724 VanDerWaalsContact N-O 3.09Å; G646-R724 PolarHBondContact O-N 3.18Å; F648-R724 HydrophobicContact CD2-CB 3.59Å; F648-R724 HydrophobicContact CD2-CG 4.11Å; F648-R724 HydrophobicContact CE2-CB 3.88Å; F648-R724 HydrophobicContact CG-CB 4.44Å; D675-R724 VanDerWaalsContact CG-NH1 3.3Å; D675-R724 IonicContact OD1-NH1 2.67Å; D675-R724 PolarHBondContact OD1-NH1 3.37Å; D675-R724 IonicContact OD2-CZ 3.47Å; D675-R724 IonicContact OD2-NH1 2.78Å; D675-R724 PolarHBondContact OD2-NH1 3.44Å; D675-R724 IonicContact OD2-NH2 3.23Å; D675-R724 PolarHBondContact OD2-NH2 3.11Å; L677-R724 HydrophobicContact CD2-CB 4.26Å; L677-R724 HydrophobicContact CD2-CG 3.95Å; E692-R724 IonicContact OE1-CZ 4Å; E692-R724 IonicContact OE1-NE 3.05Å; E692-R724 PolarHBondContact OE1-NE 3.16Å; E692-R724 IonicContact OE1-NH2 3.3Å; E692-R724 PolarHBondContact OE1-NH2 2.94Å; E692-R724 IonicContact OE2-CZ 3.39Å; E692-R724 IonicContact OE2-NH2 2.66Å; E692-R724 PolarHBondContact OE2-NH2 3.26Å; W721-R724 WeakPolarHBondContact O-CD 3.34Å; W721-R724 PolarHBondContact O-NH1 2.8Å; R724-L726 HydrophobicContact CB-CD1 3.98Å; R724-Y745 WeakPolarHBondContact CA-OH 3.47Å
725	V	98.6	Very high	86.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.1	175.8	-174.4	0	0	0	0	109.4	C458 T460 F645 Y745 V758 A760 F762	C458-V725 HydrophobicContact CB-CG1 3.83Å; T460-V725 HydrophobicContact CG2-CG2 4.2Å; F645-V725 HydrophobicContact CB-CB 4.12Å; F645-V725 HydrophobicContact CB-CG1 4.07Å; F645-V725 HydrophobicContact CB-CG2 3.8Å; F645-V725 HydrophobicContact CD1-CG1 4.49Å; V725-Y745 HydrophobicContact CB-CE2 3.85Å; V725-Y745 HydrophobicContact CG2-CE2 3.99Å; V725-Y745 PolarHBondContact N-OH 3.44Å; V725-Y745 VanDerWaalsContact N-OH 3.17Å; V725-V758 HydrophobicContact CG2-CG1 4.17Å; V725-A760 HydrophobicContact CB-CB 3.99Å; V725-A760 HydrophobicContact CG1-CB 3.71Å; V725-A760 HydrophobicContact CG2-CB 4.38Å; V725-F762 HydrophobicContact CG1-CE2 4.09Å; V725-F762 HydrophobicContact CG1-CZ 3.91Å
726	L	98.3	Very high	85.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155.6	177.4	-72.4	90.4	0	0	0	110.3	W644 F648 L677 F687 F690 D691 E692 R724	W644-L726 PolarHBondContact N-O 3.25Å; W644-L726 PolarHBondContact O-N 2.94Å; F648-L726 HydrophobicContact CD2-CD1 4.18Å; F648-L726 HydrophobicContact CE2-CD1 3.58Å; L677-L726 HydrophobicContact CD2-CD1 3.95Å; F687-L726 HydrophobicContact CB-CD2 4.1Å; F687-L726 HydrophobicContact CD1-CD2 4.15Å; F687-L726 HydrophobicContact CG-CD2 4.07Å; F690-L726 HydrophobicContact CB-CB 4.26Å; F690-L726 HydrophobicContact CB-CD2 4.03Å; F690-L726 HydrophobicContact CD1-CB 3.9Å; F690-L726 HydrophobicContact CG-CB 4.48Å; D691-L726 WeakPolarHBondContact O-CA 3.43Å; E692-L726 HydrophobicContact CB-CD2 4.39Å; E692-L726 HydrophobicContact CB-CG 4.05Å; E692-L726 HydrophobicContact CG-CD1 4.48Å; E692-L726 HydrophobicContact CG-CG 4.15Å; R724-L726 HydrophobicContact CB-CD1 3.98Å
727	F	97.5	Very high	84.5	Confident	8 Å²	8	39 Å²	39	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.2	174.4	76.2	-81.9	0	0	0	112.6	V642 F643 F690 D691 C740 F762	V642-F727 CarbonylContact O-C 3.57Å; V642-F727 WeakPolarHBondContact O-CA 3.38Å; F643-F727 HydrophobicContact CD1-CB 3.7Å; F643-F727 HydrophobicContact CE1-CB 3.89Å; F690-F727 CarbonylContact C-O 3.52Å; F690-F727 WeakPolarHBondContact CA-O 3.36Å; F690-F727 WeakPolarHBondContact CB-O 3.31Å; F690-F727 VanDerWaalsContact CD1-C 3.41Å; F690-F727 WeakPolarHBondContact CD1-O 3.48Å; D691-F727 HydrophobicContact CB-CD1 3.87Å; D691-F727 HydrophobicContact CB-CE1 3.28Å; D691-F727 HydrophobicContact CB-CE2 4.08Å; D691-F727 HydrophobicContact CB-CZ 3.4Å; D691-F727 VanDerWaalsContact CB-CZ 3.4Å; D691-F727 PolarHBondContact N-O 2.97Å; D691-F727 PolarHBondContact O-N 3.48Å; D691-F727 WeakPolarHBondContact OD2-CZ 3.43Å; F727-C740 HydrophobicContact CD2-CB 4.01Å; F727-C740 VanDerWaalsContact CD2-SG 3.52Å; F727-C740 HydrophobicContact CE2-CB 3.71Å; F727-C740 VanDerWaalsContact CE2-SG 3.51Å; F727-F762 HydrophobicContact CB-CE1 4.27Å; F727-F762 HydrophobicContact CB-CZ 4.47Å; F727-F762 HydrophobicContact CD1-CD1 4.18Å; F727-F762 AromaticContact CD1-CE1 3.45Å; F727-F762 HydrophobicContact CD1-CE1 3.45Å; F727-F762 VanDerWaalsContact CD1-CE1 3.45Å; F727-F762 HydrophobicContact CD1-CZ 4.23Å; F727-F762 HydrophobicContact CE1-CD1 4.46Å; F727-F762 AromaticContact CE1-CE1 3.96Å; F727-F762 HydrophobicContact CE1-CE1 3.96Å; F727-F762 HydrophobicContact CG-CD1 4.48Å; F727-F762 AromaticContact CG-CE1 3.99Å; F727-F762 HydrophobicContact CG-CE1 3.99Å
728	W	95.9	Very high	84.2	Confident	39 Å²	39	40.1 Å²	40.1	15%	0.148	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.4	175.8	176	94.2	0	0	0	109	F637 H639 F641 V642 F690 R730	F637-W728 HydrophobicContact CD1-CD2 4.04Å; F637-W728 HydrophobicContact CD1-CE3 4.15Å; F637-W728 HydrophobicContact CD1-CH2 4.45Å; F637-W728 HydrophobicContact CD1-CZ2 4.37Å; F637-W728 HydrophobicContact CD1-CZ3 4.35Å; F637-W728 HydrophobicContact CE1-CD2 4.35Å; F637-W728 HydrophobicContact CE1-CG 4.38Å; H639-W728 WeakPolarHBondContact O-CZ3 3.19Å; F641-W728 CarbonylContact C-O 3.58Å; F641-W728 WeakPolarHBondContact CA-O 3.44Å; V642-W728 HydrophobicContact CB-CB 4.28Å; V642-W728 HydrophobicContact CB-CE3 4.31Å; V642-W728 HydrophobicContact CG2-CE3 3.84Å; V642-W728 HydrophobicContact CG2-CZ3 4.36Å; V642-W728 PolarHBondContact N-O 3.09Å; V642-W728 PolarHBondContact O-N 2.85Å; F690-W728 HydrophobicContact CD1-CB 3.7Å; F690-W728 HydrophobicContact CD2-CB 3.95Å; F690-W728 HydrophobicContact CD2-CG 4.39Å; F690-W728 HydrophobicContact CE1-CB 3.6Å; F690-W728 HydrophobicContact CE2-CB 3.87Å; F690-W728 HydrophobicContact CE2-CG 4.24Å; F690-W728 HydrophobicContact CG-CB 3.87Å; F690-W728 HydrophobicContact CZ-CB 3.69Å; F690-W728 HydrophobicContact CZ-CG 4.4Å; W728-R730 VanDerWaalsContact CH2-CA 3.41Å; W728-R730 HydrophobicContact CH2-CB 3.54Å; W728-R730 HydrophobicContact CH2-CG 4.04Å; W728-R730 HydrophobicContact CZ2-CB 4.43Å; W728-R730 HydrophobicContact CZ3-CB 3.72Å
729	E	92.9	Very high	83.9	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.7	172.8	66.1	175.9	-158.9	0	0	110.5	D640 F641 G731 R738 R739 C740	D640-E729 CarbonylContact O-C 3.56Å; D640-E729 WeakPolarHBondContact O-CA 3.26Å; F641-E729 HydrophobicContact CD1-CB 3.69Å; F641-E729 HydrophobicContact CE1-CB 3.65Å; E729-G731 PolarHBondContact O-N 2.83Å; E729-R738 VanDerWaalsContact CD-CZ 3.4Å; E729-R738 WeakPolarHBondContact OE1-CA 3.31Å; E729-R738 WeakPolarHBondContact OE1-CD 3.14Å; E729-R738 IonicContact OE1-CZ 3.58Å; E729-R738 IonicContact OE1-NE 2.84Å; E729-R738 PolarHBondContact OE1-NE 2.65Å; E729-R738 IonicContact OE1-NH1 3.2Å; E729-R738 PolarHBondContact OE1-NH1 3.35Å; E729-R738 VanDerWaalsContact OE1-NH1 3.15Å; E729-R738 IonicContact OE1-NH2 3.37Å; E729-R739 PolarHBondContact OE2-N 2.87Å; E729-C740 PolarHBondContact OE2-N 2.87Å
730	R	87.8	Confident	83.7	Confident	44 Å²	44	39.2 Å²	39.2	17%	0.166	21%	0.214	C	C	.	.	S	Bend	trans	-74.8	120.4	177.6	179	-170.9	-60.6	-73.7	-28.1	110.5	F637 S638 H639 D640 W728	F637-R730 PolarHBondContact O-NH2 2.93Å; S638-R730 PolarHBondContact O-NH2 2.99Å; H639-R730 PolarHBondContact O-NE 2.83Å; H639-R730 PolarHBondContact O-NH2 2.82Å; D640-R730 PolarHBondContact O-N 2.81Å; W728-R730 VanDerWaalsContact CH2-CA 3.41Å; W728-R730 HydrophobicContact CH2-CB 3.54Å; W728-R730 HydrophobicContact CH2-CG 4.04Å; W728-R730 HydrophobicContact CZ2-CB 4.43Å; W728-R730 HydrophobicContact CZ3-CB 3.72Å
731	G	73.5	Confident	83.5	Confident	43 Å²	43	45.3 Å²	45.3	44%	0.443	24%	0.241	S	C	.	.			trans	70.1	137.6	170.7	0	0	0	0	0	111.1	E729	E729-G731 PolarHBondContact O-N 2.83Å
732	V	56.6	Low	83.3	Confident	92 Å²	92	47.5 Å²	47.5	56%	0.558	25%	0.252	S	S	*	.			trans	-81.7	125.9	158.7	-173.4	0	0	0	0	104.8
733	N	53.6	Low	83.1	Confident	18 Å²	18	51.4 Å²	51.4	10%	0.096	27%	0.273	C	S	.	.			trans	-49.4	149.9	172.3	-45.3	11.2	0	0	0	107.9	S735 G736 K737	N733-S735 VanDerWaalsContact CB-OG 3.31Å; N733-S735 WeakPolarHBondContact CB-OG 3.12Å; N733-S735 PolarHBondContact O-N 2.76Å; N733-G736 PolarHBondContact O-N 3.03Å; N733-K737 PolarHBondContact ND2-O 3.18Å; N733-K737 PolarHBondContact OD1-O 3.16Å; N733-K737 VanDerWaalsContact OD1-O 3.11Å
734	E	46	Very low	82.9	Confident	207 Å²	207	52.4 Å²	52.4	97%	0.967	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.4	175.8	-65.7	-175.6	171	0	0	112.2	G736	E734-G736 VanDerWaalsContact C-N 3.34Å; E734-G736 PolarHBondContact O-N 2.88Å
735	S	55.2	Low	82.8	Confident	88 Å²	88	53.4 Å²	53.4	62%	0.615	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.2	173.8	56.4	0	0	0	0	116.1	N733 K737	N733-S735 VanDerWaalsContact CB-OG 3.31Å; N733-S735 WeakPolarHBondContact CB-OG 3.12Å; N733-S735 PolarHBondContact O-N 2.76Å; S735-K737 PolarHBondContact O-N 3.32Å
736	G	67.8	Low	82.6	Confident	47 Å²	47	56.5 Å²	56.5	49%	0.485	30%	0.301	S	S	.	.			trans	73.6	-3.8	-174.1	0	0	0	0	0	114.7	N733 E734 R738	N733-G736 PolarHBondContact O-N 3.03Å; E734-G736 VanDerWaalsContact C-N 3.34Å; E734-G736 PolarHBondContact O-N 2.88Å; G736-R738 PolarHBondContact O-N 2.88Å
737	K	73.4	Confident	82.5	Confident	114 Å²	114	57.7 Å²	57.7	50%	0.496	31%	0.306	S	S	.	.			trans	-74.5	116.4	-173.4	-172.9	-170.6	175.5	-159.4	0	110.8	E451 N733 S735	E451-K737 IonicContact OE2-NZ 2.76Å; E451-K737 PolarHBondContact OE2-NZ 3.3Å; N733-K737 PolarHBondContact ND2-O 3.18Å; N733-K737 PolarHBondContact OD1-O 3.16Å; N733-K737 VanDerWaalsContact OD1-O 3.11Å; S735-K737 PolarHBondContact O-N 3.32Å
738	R	85.9	Confident	82.2	Confident	96 Å²	96	57.5 Å²	57.5	36%	0.362	31%	0.306	S	S	.	.			trans	-67.6	141.3	168.9	-57.2	-72.1	-67.9	179.9	-1	109.9	D691 E729 G736	D691-R738 IonicContact OD1-NH2 2.94Å; D691-R738 IonicContact OD2-CZ 2.68Å; D691-R738 IonicContact OD2-NE 3.83Å; D691-R738 IonicContact OD2-NH2 3.88Å; D691-R738 PolarHBondContact OD2-NH2 3.12Å; E729-R738 VanDerWaalsContact CD-CZ 3.4Å; E729-R738 WeakPolarHBondContact OE1-CA 3.31Å; E729-R738 WeakPolarHBondContact OE1-CD 3.14Å; E729-R738 IonicContact OE1-CZ 3.58Å; E729-R738 IonicContact OE1-NE 2.84Å; E729-R738 PolarHBondContact OE1-NE 2.65Å; E729-R738 IonicContact OE1-NH1 3.2Å; E729-R738 PolarHBondContact OE1-NH1 3.35Å; E729-R738 VanDerWaalsContact OE1-NH1 3.15Å; E729-R738 IonicContact OE1-NH2 3.37Å; G736-R738 PolarHBondContact O-N 2.88Å
739	R	90.7	Very high	82	Confident	12 Å²	12	59.6 Å²	59.6	5%	0.045	32%	0.317	C	S	.	.	S	Bend	trans	-101.4	-8.6	177.3	-69.5	-170	-62	156.9	-2.1	113	E451 F641 E729 V764 A765	E451-R739 VanDerWaalsContact OE1-CD 3.24Å; E451-R739 WeakPolarHBondContact OE1-CD 3.38Å; F641-R739 HydrophobicContact CE1-CB 4.04Å; F641-R739 HydrophobicContact CZ-CB 3.63Å; E729-R739 PolarHBondContact OE2-N 2.87Å; R739-V764 WeakPolarHBondContact O-CA 3.32Å; R739-A765 HydrophobicContact CB-CB 4.07Å; R739-A765 HydrophobicContact CG-CB 4.35Å; R739-A765 PolarHBondContact O-N 3.14Å
740	C	94.2	Very high	81.8	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.1	173.1	-179.9	0	0	0	0	110.7	F641 F727 E729 E763	F641-C740 HydrophobicContact CD1-CB 4.03Å; F641-C740 HydrophobicContact CE1-CB 3.72Å; F727-C740 HydrophobicContact CD2-CB 4.01Å; F727-C740 VanDerWaalsContact CD2-SG 3.52Å; F727-C740 HydrophobicContact CE2-CB 3.71Å; F727-C740 VanDerWaalsContact CE2-SG 3.51Å; E729-C740 PolarHBondContact OE2-N 2.87Å; C740-E763 WeakPolarHBondContact CA-O 3.45Å
741	K	93.2	Very high	81.9	Confident	128 Å²	128	60.4 Å²	60.4	56%	0.557	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.1	175.7	178.4	-176.1	175.2	-171.5	0	109.4	L743 F762 E763	K741-L743 HydrophobicContact CD-CD2 4.21Å; K741-L743 HydrophobicContact CG-CD2 4.42Å; K741-F762 CarbonylContact O-C 3.57Å; K741-F762 VanDerWaalsContact O-CA 3.3Å; K741-F762 WeakPolarHBondContact O-CA 3.27Å; K741-E763 HydrophobicContact CB-CB 4.48Å; K741-E763 PolarHBondContact N-O 3Å; K741-E763 PolarHBondContact O-N 3.31Å
742	I	94.3	Very high	82.4	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.236	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.6	170.3	-160.9	167.6	0	0	0	109.9	Y745 A760 F762	I742-Y745 HydrophobicContact CD1-CG 4.22Å; I742-A760 HydrophobicContact CD1-CB 4.24Å; I742-F762 HydrophobicContact CB-CD1 4.2Å; I742-F762 HydrophobicContact CB-CE1 4.21Å; I742-F762 HydrophobicContact CD1-CE1 4Å; I742-F762 HydrophobicContact CD1-CZ 4.48Å; I742-F762 HydrophobicContact CG1-CD1 4.16Å; I742-F762 HydrophobicContact CG1-CE1 3.93Å
743	L	93.6	Very high	84	Confident	83 Å²	83	54.9 Å²	54.9	44%	0.435	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-35.6	178.9	-61.5	-175	0	0	0	111.8	T455 K741 I761 E763	T455-L743 HydrophobicContact CG2-CD1 4.43Å; K741-L743 HydrophobicContact CD-CD2 4.21Å; K741-L743 HydrophobicContact CG-CD2 4.42Å; L743-I761 HydrophobicContact CB-CB 4.35Å; L743-I761 HydrophobicContact CB-CG2 4.08Å; L743-I761 HydrophobicContact CD1-CG2 4.08Å; L743-I761 PolarHBondContact N-O 3.05Å; L743-E763 HydrophobicContact CD1-CB 4.01Å; L743-E763 HydrophobicContact CD2-CB 4Å; L743-E763 HydrophobicContact CG-CB 4.02Å
744	A	94	Very high	85.9	Confident	21 Å²	21	54.7 Å²	54.7	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	149.9	176.7	0	0	0	0	0	110.6	A760 I761	A744-A760 CarbonylContact O-C 3.46Å; A744-A760 VanDerWaalsContact O-CA 3.26Å; A744-A760 WeakPolarHBondContact O-CA 3.31Å; A744-I761 HydrophobicContact CB-CB 4.37Å; A744-I761 HydrophobicContact CB-CD1 3.97Å; A744-I761 PolarHBondContact N-O 3.42Å; A744-I761 PolarHBondContact O-N 3Å
745	Y	96.2	Very high	88.3	Confident	21 Å²	21	45 Å²	45	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	112	173.3	-171.9	-145.2	0	0	0	109.5	E692 G693 L695 F697 R724 V725 I742 V758 G759 A760	E692-Y745 HydrophobicContact CG-CE1 3.94Å; G693-Y745 WeakPolarHBondContact O-CD1 3.47Å; L695-Y745 HydrophobicContact CD2-CE1 3.71Å; F697-Y745 AromaticContact CE1-CD1 3.93Å; F697-Y745 HydrophobicContact CE1-CD1 3.93Å; F697-Y745 HydrophobicContact CE1-CE1 4.06Å; F697-Y745 HydrophobicContact CE1-CG 4.19Å; F697-Y745 HydrophobicContact CZ-CD1 4.36Å; F697-Y745 HydrophobicContact CZ-CE1 4.03Å; F697-Y745 HydrophobicContact CZ-CE2 4.37Å; R724-Y745 WeakPolarHBondContact CA-OH 3.47Å; V725-Y745 HydrophobicContact CB-CE2 3.85Å; V725-Y745 HydrophobicContact CG2-CE2 3.99Å; V725-Y745 PolarHBondContact N-OH 3.44Å; V725-Y745 VanDerWaalsContact N-OH 3.17Å; I742-Y745 HydrophobicContact CD1-CG 4.22Å; Y745-V758 HydrophobicContact CD2-CG1 4.25Å; Y745-V758 HydrophobicContact CE2-CG1 3.45Å; Y745-V758 VanDerWaalsContact CE2-CG1 3.45Å; Y745-G759 WeakPolarHBondContact CD2-O 3.29Å; Y745-A760 HydrophobicContact CD2-CB 3.71Å; Y745-A760 HydrophobicContact CE2-CB 4.31Å
746	N	95.3	Very high	90.2	Very high	65 Å²	65	40.9 Å²	40.9	35%	0.348	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	176.8	-173.5	-150.1	-20.6	0	0	0	111.9	L487 F697 G759	L487-N746 HydrophobicContact CD1-CB 4.12Å; L487-N746 HydrophobicContact CG-CB 4.27Å; F697-N746 WeakPolarHBondContact CB-OD1 3.22Å; N746-G759 PolarHBondContact N-O 3.3Å; N746-G759 PolarHBondContact O-N 3.23Å; N746-G759 VanDerWaalsContact O-O 3.14Å
747	R	94.6	Very high	91.5	Very high	25 Å²	25	38.6 Å²	38.6	9%	0.094	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	160.5	172.1	75.5	-175.5	-155.9	160.6	9.7	112	F697 P698 P699 T700 Y703 E749 R756 P757 V758	F697-R747 HydrophobicContact CB-CG 4.26Å; F697-R747 HydrophobicContact CD2-CB 4.18Å; F697-R747 HydrophobicContact CD2-CG 4.29Å; F697-R747 HydrophobicContact CG-CG 4.49Å; P698-R747 WeakPolarHBondContact O-CD 3.45Å; P698-R747 PolarHBondContact O-NH1 2.89Å; P699-R747 PolarHBondContact O-NH1 3.33Å; T700-R747 HydrophobicContact CG2-CB 4.43Å; Y703-R747 PolarHBondContact OH-NH1 3.11Å; Y703-R747 PolarHBondContact OH-NH2 3.38Å; R747-E749 IonicContact CZ-OE1 3.28Å; R747-E749 VanDerWaalsContact CZ-OE1 3.23Å; R747-E749 IonicContact NE-OE1 3.44Å; R747-E749 PolarHBondContact NE-OE1 2.97Å; R747-E749 IonicContact NH2-OE1 2.72Å; R747-E749 PolarHBondContact NH2-OE1 3.5Å; R747-E749 IonicContact NH2-OE2 3.1Å; R747-E749 PolarHBondContact NH2-OE2 3.17Å; R747-R756 HydrophobicContact CB-CB 4.5Å; R747-P757 CarbonylContact C-O 3.58Å; R747-P757 WeakPolarHBondContact CA-O 3.4Å; R747-P757 WeakPolarHBondContact CB-O 3.39Å; R747-V758 HydrophobicContact CB-CG2 4.33Å
748	A	92.7	Very high	92.7	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.041	16%	0.158	C	C	.	.			trans	-110.7	148.5	171.4	0	0	0	0	0	111.5	W483 L487 L750 P757	W483-A748 HydrophobicContact CB-CB 3.58Å; W483-A748 HydrophobicContact CG-CB 4.06Å; L487-A748 HydrophobicContact CD1-CB 4.49Å; A748-L750 PolarHBondContact O-N 2.85Å; A748-P757 HydrophobicContact CB-CG 4.4Å; A748-P757 PolarHBondContact N-O 2.84Å; A748-P757 WeakPolarHBondContact O-CD 3.28Å
749	E	91	Very high	93.2	Very high	83 Å²	83	28.6 Å²	28.6	39%	0.388	14%	0.141	S	C	.	.			trans	-86.8	53.7	-177.1	-62.7	-58.4	155.3	0	0	112.9	R747 R756	R747-E749 IonicContact CZ-OE1 3.28Å; R747-E749 VanDerWaalsContact CZ-OE1 3.23Å; R747-E749 IonicContact NE-OE1 3.44Å; R747-E749 PolarHBondContact NE-OE1 2.97Å; R747-E749 IonicContact NH2-OE1 2.72Å; R747-E749 PolarHBondContact NH2-OE1 3.5Å; R747-E749 IonicContact NH2-OE2 3.1Å; R747-E749 PolarHBondContact NH2-OE2 3.17Å; E749-R756 IonicContact OE2-NE 3.13Å; E749-R756 PolarHBondContact OE2-NE 3.35Å
750	L	88.5	Confident	93.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.138	C	C	.	.			trans	-88.8	112.9	169.9	-57.3	-177.6	0	0	0	109.3	W461 L480 W483 A748 P757	W461-L750 HydrophobicContact CH2-CB 4.16Å; W461-L750 HydrophobicContact CH2-CD1 4.01Å; W461-L750 HydrophobicContact CZ2-CB 4.07Å; W461-L750 HydrophobicContact CZ3-CD1 4.04Å; L480-L750 HydrophobicContact CD2-CD1 4Å; W483-L750 HydrophobicContact CB-CD1 4.25Å; A748-L750 PolarHBondContact O-N 2.85Å; L750-P757 HydrophobicContact CB-CG 3.71Å; L750-P757 HydrophobicContact CD1-CG 3.68Å; L750-P757 HydrophobicContact CG-CG 3.87Å
751	K	89.3	Confident	93.7	Very high	67 Å²	67	28 Å²	28	29%	0.291	14%	0.137	S	C	.	.			trans	-96.2	2.6	-166.2	-48.7	-172.1	-174.2	-175	0	114.8	F706 D708 S753	F706-K751 VanDerWaalsContact CA-O 3.29Å; F706-K751 WeakPolarHBondContact CA-O 3.47Å; F706-K751 PolarHBondContact N-O 3.3Å; D708-K751 VanDerWaalsContact CG-NZ 3.25Å; D708-K751 WeakPolarHBondContact OD1-CD 3.28Å; D708-K751 WeakPolarHBondContact OD1-CE 3.36Å; D708-K751 IonicContact OD1-NZ 2.91Å; D708-K751 PolarHBondContact OD1-NZ 2.88Å; D708-K751 VanDerWaalsContact OD1-NZ 3.1Å; D708-K751 IonicContact OD2-NZ 2.87Å; D708-K751 PolarHBondContact OD2-NZ 3.02Å; K751-S753 PolarHBondContact O-N 3.01Å
752	T	84.7	Confident	93.8	Very high	19 Å²	19	21.9 Å²	21.9	12%	0.117	11%	0.111	C	C	.	.	S	Bend	trans	-71.8	-18.2	-173.9	55.2	0	0	0	0	114.1	W461 L468 F474 F706	W461-T752 WeakPolarHBondContact CH2-OG1 3.4Å; W461-T752 WeakPolarHBondContact CZ2-OG1 3.5Å; L468-T752 HydrophobicContact CD2-CG2 4.23Å; L468-T752 WeakPolarHBondContact CD2-OG1 3.46Å; F474-T752 HydrophobicContact CD2-CG2 4.02Å; F706-T752 HydrophobicContact CE1-CG2 3.97Å
753	S	90.2	Very high	93.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-110.4	161	177	178.3	0	0	0	0	109.3	N462 K751 H755	N462-S753 WeakPolarHBondContact O-CB 3.08Å; N462-S753 PolarHBondContact O-OG 2.86Å; K751-S753 PolarHBondContact O-N 3.01Å; S753-H755 WeakPolarHBondContact CB-O 3.49Å; S753-H755 PolarHBondContact O-N 3.21Å; S753-H755 PolarHBondContact OG-N 2.86Å; S753-H755 VanDerWaalsContact OG-N 3.1Å
754	D	93.3	Very high	94	Very high	14 Å²	14	18.7 Å²	18.7	8%	0.075	9%	0.093	C	C	.	.	S	Bend	trans	-72.5	-2	166	60	-21.7	0	0	0	112.4	N464 K702 Y703	N464-D754 VanDerWaalsContact CB-OD1 3.26Å; N464-D754 WeakPolarHBondContact CB-OD1 3.12Å; N464-D754 VanDerWaalsContact CG-OD1 3.26Å; N464-D754 PolarHBondContact ND2-OD1 3.1Å; K702-D754 WeakPolarHBondContact CE-OD2 3.28Å; K702-D754 HydrophobicContact CG-CB 3.92Å; K702-D754 IonicContact NZ-OD2 2.65Å; Y703-D754 PolarHBondContact N-O 3.38Å; Y703-D754 WeakPolarHBondContact O-CA 3.02Å; Y703-D754 WeakPolarHBondContact O-CB 3.37Å
755	H	95.8	Very high	94	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.023	9%	0.086	C	C	.	.	S	Bend	trans	-113	145	168	-68.5	-112.5	0	0	0	113	W461 N462 D647 T700 Y701 T722 D723 S753	W461-H755 PolarHBondContact NE1-O 2.97Å; W461-H755 VanDerWaalsContact NE1-O 3.09Å; N462-H755 HydrophobicContact CB-CB 4.07Å; D647-H755 IonicContact OD2-CE1 3Å; T700-H755 CarbonylContact O-C 3.51Å; T700-H755 VanDerWaalsContact O-CA 3.25Å; T700-H755 WeakPolarHBondContact O-CA 3.35Å; Y701-H755 AromaticContact CD2-CD2 3.59Å; Y701-H755 AromaticContact CD2-CE1 3.29Å; Y701-H755 WeakPolarHBondContact CD2-CE1 3.34Å; Y701-H755 AromaticContact CD2-ND1 3.85Å; Y701-H755 AromaticContact CD2-NE2 3.08Å; Y701-H755 WeakPolarHBondContact CD2-NE2 3.43Å; Y701-H755 AromaticContact CE2-CE1 3.9Å; Y701-H755 AromaticContact CE2-NE2 3.34Å; Y701-H755 VanDerWaalsContact CE2-NE2 3.34Å; Y701-H755 WeakPolarHBondContact CE2-NE2 3.06Å; Y701-H755 AromaticContact CG-CE1 3.76Å; T722-H755 PolarHBondContact OG1-CE1 3.13Å; T722-H755 VanDerWaalsContact OG1-CE1 3.28Å; T722-H755 PolarHBondContact OG1-ND1 2.89Å; D723-H755 IonicContact OD1-ND1 2.86Å; D723-H755 PolarHBondContact OD1-ND1 3.17Å; D723-H755 IonicContact OD2-CE1 3.78Å; D723-H755 IonicContact OD2-CG 3.47Å; D723-H755 IonicContact OD2-ND1 2.78Å; D723-H755 PolarHBondContact OD2-ND1 3.38Å; S753-H755 WeakPolarHBondContact CB-O 3.49Å; S753-H755 PolarHBondContact O-N 3.21Å; S753-H755 PolarHBondContact OG-N 2.86Å; S753-H755 VanDerWaalsContact OG-N 3.1Å
756	R	94.9	Very high	93.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.			trans	-89.4	133	167	-66.3	-65.1	-173.2	-84.6	-1.4	110.8	T700 Y703 S707 D708 R747 E749	T700-R756 HydrophobicContact CG2-CB 4.5Å; T700-R756 PolarHBondContact O-N 3.44Å; Y703-R756 HydrophobicContact CD2-CG 4.03Å; Y703-R756 HydrophobicContact CE2-CG 3.62Å; S707-R756 PolarHBondContact O-NH2 3.09Å; D708-R756 IonicContact OD1-CZ 3.78Å; D708-R756 IonicContact OD1-NH2 3.74Å; D708-R756 PolarHBondContact OD1-NH2 2.94Å; R747-R756 HydrophobicContact CB-CB 4.5Å; E749-R756 IonicContact OE2-NE 3.13Å; E749-R756 PolarHBondContact OE2-NE 3.35Å
757	P	95.7	Very high	93.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.			trans	-59.8	140.2	174.5	-7.8	10.8	0	0	0	111.8	W461 W483 R747 A748 L750	W461-P757 HydrophobicContact CB-CB 4Å; W461-P757 HydrophobicContact CD2-CB 4.13Å; W461-P757 HydrophobicContact CD2-CG 3.73Å; W461-P757 HydrophobicContact CE3-CG 4.26Å; W461-P757 HydrophobicContact CG-CB 3.8Å; W461-P757 HydrophobicContact CG-CG 3.84Å; W461-P757 HydrophobicContact CZ2-CG 4.26Å; W483-P757 HydrophobicContact CD2-CB 3.6Å; W483-P757 HydrophobicContact CD2-CG 4.39Å; W483-P757 HydrophobicContact CE3-CB 4.15Å; W483-P757 HydrophobicContact CG-CB 3.81Å; W483-P757 HydrophobicContact CG-CG 4.48Å; W483-P757 HydrophobicContact CH2-CB 4.5Å; W483-P757 HydrophobicContact CZ2-CB 4Å; R747-P757 CarbonylContact C-O 3.58Å; R747-P757 WeakPolarHBondContact CA-O 3.4Å; R747-P757 WeakPolarHBondContact CB-O 3.39Å; A748-P757 HydrophobicContact CB-CG 4.4Å; A748-P757 PolarHBondContact N-O 2.84Å; A748-P757 WeakPolarHBondContact O-CD 3.28Å; L750-P757 HydrophobicContact CB-CG 3.71Å; L750-P757 HydrophobicContact CD1-CG 3.68Å; L750-P757 HydrophobicContact CG-CG 3.87Å
758	V	97.8	Very high	93.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.7	176.5	175	0	0	0	0	109.5	G459 T460 W483 F697 T700 D723 V725 Y745 R747	G459-V758 CarbonylContact C-O 3.48Å; G459-V758 VanDerWaalsContact CA-O 3.27Å; G459-V758 WeakPolarHBondContact CA-O 3.49Å; T460-V758 HydrophobicContact CG2-CB 3.96Å; T460-V758 PolarHBondContact N-O 3.31Å; T460-V758 PolarHBondContact O-N 2.8Å; W483-V758 PolarHBondContact NE1-O 3.34Å; F697-V758 HydrophobicContact CE2-CG2 4.45Å; F697-V758 HydrophobicContact CZ-CG1 4.47Å; T700-V758 HydrophobicContact CG2-CG2 3.45Å; T700-V758 VanDerWaalsContact CG2-CG2 3.45Å; D723-V758 HydrophobicContact CB-CB 4.29Å; D723-V758 HydrophobicContact CB-CG2 3.71Å; V725-V758 HydrophobicContact CG2-CG1 4.17Å; Y745-V758 HydrophobicContact CD2-CG1 4.25Å; Y745-V758 HydrophobicContact CE2-CG1 3.45Å; Y745-V758 VanDerWaalsContact CE2-CG1 3.45Å; R747-V758 HydrophobicContact CB-CG2 4.33Å
759	G	97.5	Very high	93	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.4	170.8	0	0	0	0	0	112.8	C458 L487 Y745 N746	C458-G759 CarbonylContact O-C 3.49Å; C458-G759 VanDerWaalsContact O-CA 3.25Å; C458-G759 WeakPolarHBondContact O-CA 3.07Å; L487-G759 VanDerWaalsContact CD2-C 3.46Å; L487-G759 VanDerWaalsContact CD2-CA 3.47Å; L487-G759 WeakPolarHBondContact CD2-O 3.34Å; Y745-G759 WeakPolarHBondContact CD2-O 3.29Å; N746-G759 PolarHBondContact N-O 3.3Å; N746-G759 PolarHBondContact O-N 3.23Å; N746-G759 VanDerWaalsContact O-O 3.14Å
760	A	97.5	Very high	92.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.8	169.9	0	0	0	0	0	109.5	F457 C458 V725 I742 A744 Y745 F762	F457-A760 WeakPolarHBondContact CA-O 3.46Å; C458-A760 PolarHBondContact N-O 3.18Å; C458-A760 PolarHBondContact O-N 2.84Å; V725-A760 HydrophobicContact CB-CB 3.99Å; V725-A760 HydrophobicContact CG1-CB 3.71Å; V725-A760 HydrophobicContact CG2-CB 4.38Å; I742-A760 HydrophobicContact CD1-CB 4.24Å; A744-A760 CarbonylContact O-C 3.46Å; A744-A760 VanDerWaalsContact O-CA 3.26Å; A744-A760 WeakPolarHBondContact O-CA 3.31Å; Y745-A760 HydrophobicContact CD2-CB 3.71Å; Y745-A760 HydrophobicContact CE2-CB 4.31Å; A760-F762 HydrophobicContact CB-CD2 4.47Å; A760-F762 HydrophobicContact CB-CE1 4.35Å; A760-F762 HydrophobicContact CB-CE2 3.56Å; A760-F762 HydrophobicContact CB-CZ 3.49Å; A760-F762 VanDerWaalsContact CB-CZ 3.49Å
761	I	96.8	Very high	92.3	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.4	176.9	-61.6	153.9	0	0	0	107.2	I456 F457 L487 Y499 L743 A744	I456-I761 CarbonylContact O-C 3.57Å; I456-I761 WeakPolarHBondContact O-CA 3.31Å; F457-I761 HydrophobicContact CD2-CG1 3.89Å; L487-I761 HydrophobicContact CB-CD1 4.44Å; Y499-I761 HydrophobicContact CD1-CG2 4.08Å; Y499-I761 HydrophobicContact CE1-CD1 4.14Å; Y499-I761 HydrophobicContact CE1-CG1 4.2Å; Y499-I761 HydrophobicContact CE1-CG2 3.68Å; Y499-I761 HydrophobicContact CE2-CD1 4.22Å; Y499-I761 HydrophobicContact CE2-CG1 4.18Å; Y499-I761 WeakPolarHBondContact OH-CD1 3.46Å; L743-I761 HydrophobicContact CB-CB 4.35Å; L743-I761 HydrophobicContact CB-CG2 4.08Å; L743-I761 HydrophobicContact CD1-CG2 4.08Å; L743-I761 PolarHBondContact N-O 3.05Å; A744-I761 HydrophobicContact CB-CB 4.37Å; A744-I761 HydrophobicContact CB-CD1 3.97Å; A744-I761 PolarHBondContact N-O 3.42Å; A744-I761 PolarHBondContact O-N 3Å
762	F	96.9	Very high	92.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.2	-178	-55.7	-83.7	0	0	0	110.5	T455 I456 C458 F643 V725 F727 K741 I742 A760 V764	T455-F762 CarbonylContact C-O 3.57Å; T455-F762 VanDerWaalsContact CA-O 3.25Å; T455-F762 WeakPolarHBondContact CA-O 3.38Å; I456-F762 HydrophobicContact CB-CB 4.41Å; I456-F762 PolarHBondContact N-O 2.96Å; I456-F762 PolarHBondContact O-N 2.94Å; C458-F762 HydrophobicContact CB-CE2 3.96Å; F643-F762 AromaticContact CD1-CD2 3.86Å; F643-F762 HydrophobicContact CD1-CD2 3.86Å; F643-F762 AromaticContact CD1-CE2 3.71Å; F643-F762 HydrophobicContact CD1-CE2 3.71Å; F643-F762 HydrophobicContact CD1-CG 4.34Å; F643-F762 HydrophobicContact CD1-CZ 4.07Å; F643-F762 HydrophobicContact CE1-CB 4.22Å; F643-F762 HydrophobicContact CE1-CD1 4.04Å; F643-F762 AromaticContact CE1-CD2 3.61Å; F643-F762 HydrophobicContact CE1-CD2 3.61Å; F643-F762 HydrophobicContact CE1-CE1 4.33Å; F643-F762 AromaticContact CE1-CE2 3.91Å; F643-F762 HydrophobicContact CE1-CE2 3.91Å; F643-F762 AromaticContact CE1-CG 3.68Å; F643-F762 HydrophobicContact CE1-CG 3.68Å; F643-F762 HydrophobicContact CE1-CZ 4.26Å; V725-F762 HydrophobicContact CG1-CE2 4.09Å; V725-F762 HydrophobicContact CG1-CZ 3.91Å; F727-F762 HydrophobicContact CB-CE1 4.27Å; F727-F762 HydrophobicContact CB-CZ 4.47Å; F727-F762 HydrophobicContact CD1-CD1 4.18Å; F727-F762 AromaticContact CD1-CE1 3.45Å; F727-F762 HydrophobicContact CD1-CE1 3.45Å; F727-F762 VanDerWaalsContact CD1-CE1 3.45Å; F727-F762 HydrophobicContact CD1-CZ 4.23Å; F727-F762 HydrophobicContact CE1-CD1 4.46Å; F727-F762 AromaticContact CE1-CE1 3.96Å; F727-F762 HydrophobicContact CE1-CE1 3.96Å; F727-F762 HydrophobicContact CG-CD1 4.48Å; F727-F762 AromaticContact CG-CE1 3.99Å; F727-F762 HydrophobicContact CG-CE1 3.99Å; K741-F762 CarbonylContact O-C 3.57Å; K741-F762 VanDerWaalsContact O-CA 3.3Å; K741-F762 WeakPolarHBondContact O-CA 3.27Å; I742-F762 HydrophobicContact CB-CD1 4.2Å; I742-F762 HydrophobicContact CB-CE1 4.21Å; I742-F762 HydrophobicContact CD1-CE1 4Å; I742-F762 HydrophobicContact CD1-CZ 4.48Å; I742-F762 HydrophobicContact CG1-CD1 4.16Å; I742-F762 HydrophobicContact CG1-CE1 3.93Å; A760-F762 HydrophobicContact CB-CD2 4.47Å; A760-F762 HydrophobicContact CB-CE1 4.35Å; A760-F762 HydrophobicContact CB-CE2 3.56Å; A760-F762 HydrophobicContact CB-CZ 3.49Å; A760-F762 VanDerWaalsContact CB-CZ 3.49Å; F762-V764 HydrophobicContact CB-CG2 3.92Å
763	E	96.1	Very high	92.3	Very high	63 Å²	63	24.3 Å²	24.3	29%	0.294	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.3	158.7	-175.7	178.4	46.2	0	0	107.8	N453 C740 K741 L743	N453-E763 HydrophobicContact CB-CG 3.89Å; N453-E763 VanDerWaalsContact ND2-CD 3.28Å; N453-E763 PolarHBondContact ND2-OE2 2.95Å; C740-E763 WeakPolarHBondContact CA-O 3.45Å; K741-E763 HydrophobicContact CB-CB 4.48Å; K741-E763 PolarHBondContact N-O 3Å; K741-E763 PolarHBondContact O-N 3.31Å; L743-E763 HydrophobicContact CD1-CB 4.01Å; L743-E763 HydrophobicContact CD2-CB 4Å; L743-E763 HydrophobicContact CG-CB 4.02Å
764	V	96.1	Very high	92.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.7	-175	-173.5	0	0	0	0	109.7	N453 L454 I456 F641 F643 R739 F762 I766	N453-V764 WeakPolarHBondContact CA-O 3.49Å; L454-V764 PolarHBondContact N-O 3.34Å; L454-V764 PolarHBondContact O-N 3.23Å; I456-V764 HydrophobicContact CD1-CB 4.17Å; I456-V764 HydrophobicContact CD1-CG2 3.69Å; I456-V764 HydrophobicContact CG1-CG2 3.97Å; F641-V764 HydrophobicContact CD1-CG1 4.24Å; F641-V764 HydrophobicContact CD2-CG1 3.86Å; F641-V764 HydrophobicContact CE1-CG1 4.01Å; F641-V764 HydrophobicContact CE2-CG1 3.59Å; F641-V764 HydrophobicContact CG-CG1 4.17Å; F641-V764 HydrophobicContact CZ-CG1 3.66Å; F643-V764 HydrophobicContact CZ-CG2 3.89Å; R739-V764 WeakPolarHBondContact O-CA 3.32Å; F762-V764 HydrophobicContact CB-CG2 3.92Å; V764-I766 HydrophobicContact CB-CD1 4.41Å; V764-I766 HydrophobicContact CG1-CD1 3.84Å; V764-I766 PolarHBondContact O-N 3.31Å; V764-I766 VanDerWaalsContact O-N 3.07Å
765	A	93.9	Very high	91.7	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.033	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	95	173.8	0	0	0	0	0	109.9	E451 R739	E451-A765 HydrophobicContact CB-CB 4.28Å; E451-A765 HydrophobicContact CG-CB 4.34Å; R739-A765 HydrophobicContact CB-CB 4.07Å; R739-A765 HydrophobicContact CG-CB 4.35Å; R739-A765 PolarHBondContact O-N 3.14Å
766	I	93.2	Very high	91.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.4	175.9	-59.5	-61.4	0	0	0	109	E451 S452 L454 L595 F596 T598 L600 V764	E451-I766 WeakPolarHBondContact CA-O 3.13Å; S452-I766 PolarHBondContact N-O 3.32Å; S452-I766 PolarHBondContact O-N 3.45Å; S452-I766 PolarHBondContact OG-O 3.26Å; L454-I766 HydrophobicContact CB-CG1 4.02Å; L454-I766 HydrophobicContact CD1-CB 4.41Å; L454-I766 HydrophobicContact CD1-CG1 3.81Å; L454-I766 HydrophobicContact CG-CB 4.38Å; L454-I766 HydrophobicContact CG-CG1 3.85Å; L595-I766 HydrophobicContact CD2-CG2 4.4Å; L595-I766 HydrophobicContact CG-CG2 4.32Å; F596-I766 HydrophobicContact CB-CG2 4.48Å; F596-I766 HydrophobicContact CD2-CG2 3.74Å; T598-I766 HydrophobicContact CG2-CD1 3.93Å; L600-I766 HydrophobicContact CD1-CD1 4.32Å; L600-I766 HydrophobicContact CD2-CD1 4.15Å; V764-I766 HydrophobicContact CB-CD1 4.41Å; V764-I766 HydrophobicContact CG1-CD1 3.84Å; V764-I766 PolarHBondContact O-N 3.31Å; V764-I766 VanDerWaalsContact O-N 3.07Å
767	Q	91.1	Very high	91.1	Very high	9 Å²	9	29.7 Å²	29.7	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.6	179.5	-70.8	179.2	-43.2	0	0	111.3	L449 G450 E451 F596 S597 T598	L449-Q767 HydrophobicContact CB-CB 4.19Å; L449-Q767 HydrophobicContact CB-CG 4.35Å; L449-Q767 HydrophobicContact CD1-CB 4.09Å; L449-Q767 HydrophobicContact CD1-CG 4.42Å; G450-Q767 CarbonylContact O-C 3.59Å; G450-Q767 VanDerWaalsContact O-CA 3.25Å; G450-Q767 WeakPolarHBondContact O-CA 3.37Å; E451-Q767 HydrophobicContact CG-CG 4.13Å; F596-Q767 VanDerWaalsContact CB-O 3.29Å; F596-Q767 WeakPolarHBondContact CB-O 3.2Å; S597-Q767 WeakPolarHBondContact CA-O 2.94Å; S597-Q767 WeakPolarHBondContact CB-O 3.45Å; S597-Q767 PolarHBondContact N-O 3.49Å; T598-Q767 WeakPolarHBondContact OG1-CB 3.26Å; T598-Q767 PolarHBondContact OG1-N 3.36Å
768	K	87.9	Confident	90.5	Very high	103 Å²	103	29.7 Å²	29.7	45%	0.448	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.4	174.3	-177.4	175.9	-179.7	174.8	0	109.7	L449 G450 F596 D770	L449-K768 WeakPolarHBondContact CA-O 3.47Å; G450-K768 PolarHBondContact N-O 2.85Å; G450-K768 PolarHBondContact O-N 3.34Å; F596-K768 HydrophobicContact CB-CB 4.26Å; F596-K768 HydrophobicContact CB-CG 4.43Å; F596-K768 HydrophobicContact CD1-CB 4.45Å; F596-K768 HydrophobicContact CD1-CD 3.91Å; F596-K768 HydrophobicContact CD1-CG 3.96Å; F596-K768 HydrophobicContact CE1-CD 3.98Å; F596-K768 HydrophobicContact CG-CB 4.33Å; F596-K768 HydrophobicContact CG-CG 4.33Å; K768-D770 PolarHBondContact O-N 2.98Å
769	M	85.1	Confident	90	Very high	22 Å²	22	34.3 Å²	34.3	11%	0.108	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126	174.6	-176.4	-175.5	77.3	0	0	111.8	V408 Y448 L449 S597 V771 F774	V408-M769 HydrophobicContact CB-SD 3.99Å; V408-M769 HydrophobicContact CG1-CE 4.04Å; V408-M769 HydrophobicContact CG1-SD 3.84Å; V408-M769 HydrophobicContact CG2-SD 3.55Å; V408-M769 VanDerWaalsContact CG2-SD 3.55Å; Y448-M769 HydrophobicContact CD2-CG 4.38Å; L449-M769 HydrophobicContact CD2-CB 3.87Å; S597-M769 PolarHBondContact OG-N 3.43Å; M769-V771 HydrophobicContact CE-CG2 3.79Å; M769-F774 HydrophobicContact CG-CB 4.13Å; M769-F774 HydrophobicContact CG-CG 4.41Å; M769-F774 HydrophobicContact SD-CB 4.22Å; M769-F774 HydrophobicContact SD-CD1 4.02Å; M769-F774 HydrophobicContact SD-CD2 4.38Å; M769-F774 HydrophobicContact SD-CG 3.93Å
770	D	84.7	Confident	89.5	Confident	59 Å²	59	39.8 Å²	39.8	32%	0.316	21%	0.205	S	C	.	.			trans	-89.5	105.6	165.6	-176.9	-17.9	0	0	0	108.9	Y448 K768 A772 K773 F774	Y448-D770 PolarHBondContact O-N 3.46Å; K768-D770 PolarHBondContact O-N 2.98Å; D770-A772 PolarHBondContact O-N 3.31Å; D770-A772 WeakPolarHBondContact OD1-CA 3.27Å; D770-A772 VanDerWaalsContact OD1-CB 3.31Å; D770-A772 WeakPolarHBondContact OD1-CB 3.25Å; D770-A772 PolarHBondContact OD1-N 3.35Å; D770-K773 HydrophobicContact CB-CB 4.18Å; D770-K773 HydrophobicContact CB-CD 4.15Å; D770-K773 HydrophobicContact CB-CG 4.22Å; D770-K773 PolarHBondContact O-N 3.33Å; D770-K773 VanDerWaalsContact O-N 3.17Å; D770-K773 PolarHBondContact OD1-N 3.01Å; D770-K773 WeakPolarHBondContact OD2-CD 3.15Å; D770-K773 VanDerWaalsContact OD2-CE 3.32Å; D770-K773 WeakPolarHBondContact OD2-CE 3.43Å; D770-K773 WeakPolarHBondContact OD2-CG 3.32Å; D770-F774 WeakPolarHBondContact O-CB 3.48Å; D770-F774 PolarHBondContact O-N 2.77Å
771	V	79.8	Confident	88.8	Confident	42 Å²	42	40.6 Å²	40.6	26%	0.255	21%	0.209	S	C	.	.	H	α-helix	trans	-58	-34.2	179.9	-176.8	0	0	0	0	111.4	M769 K773 F774 R775 L880	M769-V771 HydrophobicContact CE-CG2 3.79Å; V771-K773 VanDerWaalsContact C-N 3.33Å; V771-K773 PolarHBondContact O-N 3.06Å; V771-F774 PolarHBondContact O-N 2.88Å; V771-R775 WeakPolarHBondContact O-CG 3.39Å; V771-R775 PolarHBondContact O-N 3.48Å; V771-R775 VanDerWaalsContact O-N 3.1Å; V771-L880 HydrophobicContact CG1-CB 4.3Å
772	A	84	Confident	88	Confident	75 Å²	75	40.6 Å²	40.6	62%	0.62	21%	0.209	S	C	*	.	H	α-helix	trans	-70.5	-30.6	-177.9	0	0	0	0	0	112.2	D770 P776	D770-A772 PolarHBondContact O-N 3.31Å; D770-A772 WeakPolarHBondContact OD1-CA 3.27Å; D770-A772 VanDerWaalsContact OD1-CB 3.31Å; D770-A772 WeakPolarHBondContact OD1-CB 3.25Å; D770-A772 PolarHBondContact OD1-N 3.35Å; A772-P776 WeakPolarHBondContact O-CD 3.45Å
773	K	89.6	Confident	87.3	Confident	111 Å²	111	42.5 Å²	42.5	48%	0.483	22%	0.222	S	C	.	.	H	α-helix	trans	-85.3	-34.1	172.1	-65.3	179.9	-173.4	179.5	0	112.9	D770 V771 R775 P776 A777	D770-K773 HydrophobicContact CB-CB 4.18Å; D770-K773 HydrophobicContact CB-CD 4.15Å; D770-K773 HydrophobicContact CB-CG 4.22Å; D770-K773 PolarHBondContact O-N 3.33Å; D770-K773 VanDerWaalsContact O-N 3.17Å; D770-K773 PolarHBondContact OD1-N 3.01Å; D770-K773 WeakPolarHBondContact OD2-CD 3.15Å; D770-K773 VanDerWaalsContact OD2-CE 3.32Å; D770-K773 WeakPolarHBondContact OD2-CE 3.43Å; D770-K773 WeakPolarHBondContact OD2-CG 3.32Å; V771-K773 VanDerWaalsContact C-N 3.33Å; V771-K773 PolarHBondContact O-N 3.06Å; K773-R775 VanDerWaalsContact C-N 3.34Å; K773-R775 PolarHBondContact O-N 2.92Å; K773-P776 VanDerWaalsContact O-CD 3.26Å; K773-P776 WeakPolarHBondContact O-CD 3.48Å; K773-P776 VanDerWaalsContact O-CG 3.3Å; K773-P776 WeakPolarHBondContact O-CG 3.29Å; K773-A777 WeakPolarHBondContact O-CB 3.49Å; K773-A777 PolarHBondContact O-N 3Å
774	F	86.2	Confident	86.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-39	179.9	179.6	-112.5	0	0	0	111.8	V408 I441 Y448 M769 D770 V771 A777 L778 F876 L877 L880	V408-F774 HydrophobicContact CG1-CE1 4.19Å; V408-F774 HydrophobicContact CG1-CZ 4.5Å; V408-F774 HydrophobicContact CG2-CD2 4.5Å; V408-F774 HydrophobicContact CG2-CE1 4.07Å; V408-F774 HydrophobicContact CG2-CE2 3.89Å; V408-F774 HydrophobicContact CG2-CZ 3.65Å; I441-F774 HydrophobicContact CD1-CZ 4.33Å; I441-F774 HydrophobicContact CG1-CE2 4.49Å; I441-F774 HydrophobicContact CG2-CE2 4.48Å; Y448-F774 AromaticContact CD1-CD2 3.8Å; Y448-F774 HydrophobicContact CD1-CD2 3.8Å; Y448-F774 HydrophobicContact CD2-CB 4.32Å; Y448-F774 AromaticContact CD2-CD2 3.68Å; Y448-F774 HydrophobicContact CD2-CD2 3.68Å; Y448-F774 HydrophobicContact CD2-CG 4.42Å; Y448-F774 AromaticContact CE1-CD2 3.74Å; Y448-F774 HydrophobicContact CE1-CD2 3.74Å; Y448-F774 HydrophobicContact CE1-CE2 4.14Å; Y448-F774 AromaticContact CE2-CD2 3.66Å; Y448-F774 HydrophobicContact CE2-CD2 3.66Å; Y448-F774 HydrophobicContact CE2-CE2 4.08Å; Y448-F774 HydrophobicContact CG-CB 4.01Å; Y448-F774 AromaticContact CG-CD2 3.74Å; Y448-F774 HydrophobicContact CG-CD2 3.74Å; Y448-F774 HydrophobicContact CG-CG 4.38Å; Y448-F774 AromaticContact CZ-CD2 3.64Å; Y448-F774 AromaticContact CZ-CE2 3.82Å; M769-F774 HydrophobicContact CG-CB 4.13Å; M769-F774 HydrophobicContact CG-CG 4.41Å; M769-F774 HydrophobicContact SD-CB 4.22Å; M769-F774 HydrophobicContact SD-CD1 4.02Å; M769-F774 HydrophobicContact SD-CD2 4.38Å; M769-F774 HydrophobicContact SD-CG 3.93Å; D770-F774 WeakPolarHBondContact O-CB 3.48Å; D770-F774 PolarHBondContact O-N 2.77Å; V771-F774 PolarHBondContact O-N 2.88Å; F774-A777 PolarHBondContact O-N 3.46Å; F774-L778 HydrophobicContact CE1-CB 4.45Å; F774-L778 HydrophobicContact CE1-CD2 3.86Å; F774-L778 HydrophobicContact CE2-CB 4.42Å; F774-L778 HydrophobicContact CZ-CB 4.24Å; F774-L778 HydrophobicContact CZ-CD1 4.21Å; F774-L778 HydrophobicContact CZ-CD2 3.92Å; F774-L778 HydrophobicContact CZ-CG 4.36Å; F774-L778 VanDerWaalsContact O-CB 3.26Å; F774-L778 WeakPolarHBondContact O-CB 3.46Å; F774-L778 PolarHBondContact O-N 2.89Å; F774-F876 AromaticContact CE1-CE1 3.92Å; F774-F876 HydrophobicContact CE1-CE1 3.92Å; F774-F876 HydrophobicContact CZ-CE1 4.31Å; F774-L877 HydrophobicContact CD1-CD2 4.27Å; F774-L877 HydrophobicContact CE1-CD2 4.22Å; F774-L880 HydrophobicContact CD1-CD1 3.89Å; F774-L880 HydrophobicContact CE1-CD1 3.84Å
775	R	84.6	Confident	85.7	Confident	64 Å²	64	43.2 Å²	43.2	24%	0.242	24%	0.242	C	C	.	.	H	α-helix	trans	-53.2	-60.5	177.1	-81.3	-175.7	168.1	151.3	8.1	113.8	V771 K773 L778 R779 L877 N881	V771-R775 WeakPolarHBondContact O-CG 3.39Å; V771-R775 PolarHBondContact O-N 3.48Å; V771-R775 VanDerWaalsContact O-N 3.1Å; K773-R775 VanDerWaalsContact C-N 3.34Å; K773-R775 PolarHBondContact O-N 2.92Å; R775-L778 PolarHBondContact O-N 3.03Å; R775-R779 WeakPolarHBondContact O-CG 3.48Å; R775-R779 PolarHBondContact O-N 3.1Å; R775-R779 VanDerWaalsContact O-N 3.1Å; R775-L877 HydrophobicContact CB-CD1 4.42Å; R775-L877 HydrophobicContact CG-CD1 4.01Å; R775-L877 HydrophobicContact CG-CD2 3.75Å; R775-L877 HydrophobicContact CG-CG 4.31Å; R775-L877 PolarHBondContact NH2-O 2.73Å; R775-N881 PolarHBondContact NH2-ND2 3.18Å; R775-N881 VanDerWaalsContact NH2-ND2 3.14Å; R775-N881 PolarHBondContact NH2-OD1 3.11Å
776	P	89.5	Confident	84.9	Confident	58 Å²	58	43.1 Å²	43.1	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-41.6	178.4	23.4	-32.2	0	0	0	111.9	A772 K773 L778 R779 D780	A772-P776 WeakPolarHBondContact O-CD 3.45Å; K773-P776 VanDerWaalsContact O-CD 3.26Å; K773-P776 WeakPolarHBondContact O-CD 3.48Å; K773-P776 VanDerWaalsContact O-CG 3.3Å; K773-P776 WeakPolarHBondContact O-CG 3.29Å; P776-L778 VanDerWaalsContact C-N 3.32Å; P776-L778 PolarHBondContact O-N 3.16Å; P776-R779 WeakPolarHBondContact O-CA 3.45Å; P776-R779 WeakPolarHBondContact O-CB 3.42Å; P776-R779 PolarHBondContact O-N 2.98Å; P776-D780 PolarHBondContact O-N 2.74Å
777	A	88.8	Confident	84.3	Confident	9 Å²	9	43.1 Å²	43.1	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-39.9	178.1	0	0	0	0	0	112.8	V447 Y448 K773 F774 D780 I781	V447-A777 HydrophobicContact CG1-CB 3.98Å; Y448-A777 HydrophobicContact CD1-CB 3.62Å; Y448-A777 HydrophobicContact CE1-CB 4.07Å; K773-A777 WeakPolarHBondContact O-CB 3.49Å; K773-A777 PolarHBondContact O-N 3Å; F774-A777 PolarHBondContact O-N 3.46Å; A777-D780 PolarHBondContact O-N 3Å; A777-I781 VanDerWaalsContact O-CG1 3.25Å; A777-I781 WeakPolarHBondContact O-CG1 3.26Å; A777-I781 PolarHBondContact O-N 3.37Å
778	L	84.1	Confident	83.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-38.2	174.7	-175.1	64.7	0	0	0	111.6	F431 I437 I441 F774 R775 P776 D780 I781 V782 M873 F876 L877	F431-L778 HydrophobicContact CE2-CD1 4.32Å; F431-L778 HydrophobicContact CZ-CD1 3.97Å; F431-L778 HydrophobicContact CZ-CD2 4.09Å; I437-L778 HydrophobicContact CG2-CD1 4.32Å; I441-L778 HydrophobicContact CD1-CD1 3.88Å; I441-L778 HydrophobicContact CG1-CD1 4.17Å; F774-L778 HydrophobicContact CE1-CB 4.45Å; F774-L778 HydrophobicContact CE1-CD2 3.86Å; F774-L778 HydrophobicContact CE2-CB 4.42Å; F774-L778 HydrophobicContact CZ-CB 4.24Å; F774-L778 HydrophobicContact CZ-CD1 4.21Å; F774-L778 HydrophobicContact CZ-CD2 3.92Å; F774-L778 HydrophobicContact CZ-CG 4.36Å; F774-L778 VanDerWaalsContact O-CB 3.26Å; F774-L778 WeakPolarHBondContact O-CB 3.46Å; F774-L778 PolarHBondContact O-N 2.89Å; R775-L778 PolarHBondContact O-N 3.03Å; P776-L778 VanDerWaalsContact C-N 3.32Å; P776-L778 PolarHBondContact O-N 3.16Å; L778-D780 VanDerWaalsContact C-N 3.33Å; L778-I781 PolarHBondContact O-N 2.84Å; L778-V782 HydrophobicContact CD1-CG2 4.27Å; L778-V782 HydrophobicContact CG-CG2 4.35Å; L778-V782 WeakPolarHBondContact O-CB 3.31Å; L778-V782 VanDerWaalsContact O-CG2 3.22Å; L778-V782 WeakPolarHBondContact O-CG2 3.17Å; L778-V782 PolarHBondContact O-N 2.95Å; L778-M873 HydrophobicContact CB-SD 4.39Å; L778-M873 HydrophobicContact CD2-CG 3.62Å; L778-M873 HydrophobicContact CD2-SD 4.19Å; L778-M873 HydrophobicContact CG-CG 3.89Å; L778-M873 HydrophobicContact CG-SD 3.9Å; L778-F876 HydrophobicContact CD2-CD1 3.83Å; L778-F876 HydrophobicContact CD2-CE1 3.82Å; L778-L877 HydrophobicContact CD2-CD2 3.7Å; L778-L877 HydrophobicContact CD2-CG 4.13Å
779	R	86.1	Confident	82.7	Confident	97 Å²	97	39 Å²	39	37%	0.366	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-48.6	173.2	-56.3	-138.7	176.4	94.9	-4.4	110.4	R775 P776 I781 V782 S783 L870 M873 E874	R775-R779 WeakPolarHBondContact O-CG 3.48Å; R775-R779 PolarHBondContact O-N 3.1Å; R775-R779 VanDerWaalsContact O-N 3.1Å; P776-R779 WeakPolarHBondContact O-CA 3.45Å; P776-R779 WeakPolarHBondContact O-CB 3.42Å; P776-R779 PolarHBondContact O-N 2.98Å; R779-I781 PolarHBondContact O-N 3.2Å; R779-V782 PolarHBondContact O-N 2.87Å; R779-S783 WeakPolarHBondContact O-CB 2.98Å; R779-S783 PolarHBondContact O-N 2.78Å; R779-S783 PolarHBondContact O-OG 3.16Å; R779-L870 HydrophobicContact CB-CD2 4.36Å; R779-M873 HydrophobicContact CB-CE 4.3Å; R779-M873 HydrophobicContact CB-SD 4.27Å; R779-M873 HydrophobicContact CG-CE 3.52Å; R779-M873 HydrophobicContact CG-SD 3.89Å; R779-E874 IonicContact CZ-OE1 3.15Å; R779-E874 IonicContact NE-OE1 3.05Å; R779-E874 PolarHBondContact NE-OE1 2.83Å; R779-E874 IonicContact NH2-OE1 3.35Å; R779-E874 PolarHBondContact NH2-OE1 2.87Å; R779-E874 IonicContact NH2-OE2 2.92Å
780	D	87.2	Confident	82.6	Confident	116 Å²	116	37.9 Å²	37.9	62%	0.62	22%	0.218	S	C	*	.	H	α-helix	trans	-62.8	-43.3	-179.9	-63.6	-20.6	0	0	0	111.7	P776 A777 L778 S783 G784	P776-D780 PolarHBondContact O-N 2.74Å; A777-D780 PolarHBondContact O-N 3Å; L778-D780 VanDerWaalsContact C-N 3.33Å; D780-S783 PolarHBondContact O-N 3.03Å; D780-G784 PolarHBondContact O-N 3.5Å
781	I	83.4	Confident	82.8	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.082	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-51.5	174.5	-71.2	164.6	0	0	0	110	I441 N444 A777 L778 R779 G784 M785	I441-I781 HydrophobicContact CG1-CD1 4.17Å; N444-I781 HydrophobicContact CB-CD1 4.19Å; A777-I781 VanDerWaalsContact O-CG1 3.25Å; A777-I781 WeakPolarHBondContact O-CG1 3.26Å; A777-I781 PolarHBondContact O-N 3.37Å; L778-I781 PolarHBondContact O-N 2.84Å; R779-I781 PolarHBondContact O-N 3.2Å; I781-G784 PolarHBondContact O-N 3.41Å; I781-G784 VanDerWaalsContact O-N 3.16Å; I781-M785 WeakPolarHBondContact O-CG 3.05Å
782	V	80	Confident	83.5	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.024	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-43.2	-178	170.7	0	0	0	0	111.2	I437 L778 R779 G784 M785 W865 A869 L870 M873	I437-V782 HydrophobicContact CD1-CG2 4.04Å; L778-V782 HydrophobicContact CD1-CG2 4.27Å; L778-V782 HydrophobicContact CG-CG2 4.35Å; L778-V782 WeakPolarHBondContact O-CB 3.31Å; L778-V782 VanDerWaalsContact O-CG2 3.22Å; L778-V782 WeakPolarHBondContact O-CG2 3.17Å; L778-V782 PolarHBondContact O-N 2.95Å; R779-V782 PolarHBondContact O-N 2.87Å; V782-G784 PolarHBondContact O-N 2.96Å; V782-M785 PolarHBondContact O-N 2.76Å; V782-W865 WeakPolarHBondContact O-CZ3 3.39Å; V782-A869 HydrophobicContact CG1-CB 3.48Å; V782-A869 VanDerWaalsContact CG1-CB 3.48Å; V782-L870 HydrophobicContact CG1-CD2 4.44Å; V782-M873 HydrophobicContact CB-SD 4.37Å; V782-M873 HydrophobicContact CG2-CG 4.4Å; V782-M873 HydrophobicContact CG2-SD 4.09Å
783	S	82	Confident	83.9	Confident	40 Å²	40	30.2 Å²	30.2	28%	0.28	17%	0.167	S	C	.	.	H	α-helix	trans	-67.6	-17.8	176.3	-71.6	0	0	0	0	113.9	R779 D780 W865 E866	R779-S783 WeakPolarHBondContact O-CB 2.98Å; R779-S783 PolarHBondContact O-N 2.78Å; R779-S783 PolarHBondContact O-OG 3.16Å; D780-S783 PolarHBondContact O-N 3.03Å; S783-W865 VanDerWaalsContact O-CH2 3.31Å; S783-W865 WeakPolarHBondContact O-CH2 3.28Å; S783-E866 VanDerWaalsContact CB-OE1 3.29Å; S783-E866 WeakPolarHBondContact CB-OE1 3.39Å; S783-E866 PolarHBondContact OG-OE1 3.15Å
784	G	79.6	Confident	84.2	Confident	59 Å²	59	25 Å²	25	61%	0.608	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.8	178.5	0	0	0	0	0	115.4	D780 I781 V782	D780-G784 PolarHBondContact O-N 3.5Å; I781-G784 PolarHBondContact O-N 3.41Å; I781-G784 VanDerWaalsContact O-N 3.16Å; V782-G784 PolarHBondContact O-N 2.96Å
785	M	77.9	Confident	84.6	Confident	20 Å²	20	30.2 Å²	30.2	10%	0.099	16%	0.163	C	C	.	.	S	Bend	trans	-85.5	-38.9	-165.3	-57.7	-165.1	84.4	0	0	115.8	Y434 A436 I437 I781 V782 P837 G838	Y434-M785 HydrophobicContact CD1-SD 4.22Å; A436-M785 HydrophobicContact CB-CE 3.41Å; A436-M785 VanDerWaalsContact CB-CE 3.41Å; I437-M785 HydrophobicContact CB-CE 4.2Å; I437-M785 HydrophobicContact CB-SD 4.3Å; I437-M785 HydrophobicContact CD1-CE 4.36Å; I437-M785 HydrophobicContact CD1-SD 3.5Å; I437-M785 VanDerWaalsContact CD1-SD 3.5Å; I437-M785 HydrophobicContact CG1-CE 3.36Å; I437-M785 HydrophobicContact CG1-SD 2.99Å; I437-M785 WeakPolarHBondContact CG1-SD 3.38Å; I781-M785 WeakPolarHBondContact O-CG 3.05Å; V782-M785 PolarHBondContact O-N 2.76Å; M785-P837 CarbonylContact O-C 3.57Å; M785-P837 VanDerWaalsContact O-C 3.26Å; M785-P837 VanDerWaalsContact O-CB 3.24Å; M785-P837 WeakPolarHBondContact O-CB 3.48Å; M785-G838 WeakPolarHBondContact O-CA 3.42Å; M785-G838 PolarHBondContact O-N 3.5Å
786	G	79.1	Confident	85.1	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.01	15%	0.153	C	C	.	.			trans	95.4	179.7	-164.7	0	0	0	0	0	114.4	L841 W865	G786-L841 VanDerWaalsContact CA-CG 3.5Å; G786-W865 VanDerWaalsContact C-CE3 3.4Å; G786-W865 VanDerWaalsContact N-CH2 3.33Å; G786-W865 VanDerWaalsContact O-CE3 3.24Å; G786-W865 WeakPolarHBondContact O-CZ3 3.48Å
787	P	80.2	Confident	85.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.			trans	-72.8	144.1	-172.3	32.1	-37.5	0	0	0	113	D789 A790 P837 A840 L860 W865	P787-D789 VanDerWaalsContact C-N 3.29Å; P787-D789 WeakPolarHBondContact CB-OD1 3.13Å; P787-D789 PolarHBondContact O-N 2.94Å; P787-A790 WeakPolarHBondContact O-CA 3.29Å; P787-A790 PolarHBondContact O-N 2.84Å; P787-P837 VanDerWaalsContact O-CB 3.27Å; P787-P837 WeakPolarHBondContact O-CB 3.23Å; P787-A840 HydrophobicContact CG-CB 4.2Å; P787-L860 HydrophobicContact CG-CB 4.42Å; P787-L860 HydrophobicContact CG-CD1 4.01Å; P787-L860 HydrophobicContact CG-CD2 3.94Å; P787-L860 HydrophobicContact CG-CG 4.32Å; P787-W865 HydrophobicContact CB-CB 3.6Å; P787-W865 HydrophobicContact CB-CD2 4.42Å; P787-W865 HydrophobicContact CB-CG 3.73Å
788	L	70.1	Confident	85.4	Confident	25 Å²	25	32.1 Å²	32.1	13%	0.131	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-37	-173.6	-49.7	-171.3	0	0	0	113.7	R80 Y434 A790	R80-L788 HydrophobicContact CG-CB 4.07Å; R80-L788 WeakPolarHBondContact CG-O 3.4Å; R80-L788 PolarHBondContact NE-O 2.86Å; R80-L788 CarbonylContact O-C 3.46Å; R80-L788 WeakPolarHBondContact O-CB 3.17Å; Y434-L788 HydrophobicContact CD1-CD2 3.72Å; Y434-L788 HydrophobicContact CE1-CD1 4.22Å; Y434-L788 HydrophobicContact CE1-CD2 2.93Å; Y434-L788 HydrophobicContact CE1-CG 4.13Å; Y434-L788 HydrophobicContact CE2-CD2 4.48Å; Y434-L788 WeakPolarHBondContact OH-CD1 3.19Å; Y434-L788 WeakPolarHBondContact OH-CD2 3.19Å; L788-A790 PolarHBondContact O-N 2.84Å
789	D	75.6	Confident	85.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.9	178.2	61	18	0	0	0	111.9	R80 F81 P787 A791 R861 T862	R80-D789 VanDerWaalsContact O-CA 3.24Å; R80-D789 WeakPolarHBondContact O-CA 3.19Å; R80-D789 WeakPolarHBondContact O-CB 3.41Å; R80-D789 PolarHBondContact O-N 3.46Å; F81-D789 HydrophobicContact CD1-CB 3.85Å; F81-D789 HydrophobicContact CE1-CB 4.45Å; F81-D789 WeakPolarHBondContact CE1-O 3.41Å; P787-D789 VanDerWaalsContact C-N 3.29Å; P787-D789 WeakPolarHBondContact CB-OD1 3.13Å; P787-D789 PolarHBondContact O-N 2.94Å; D789-A791 HydrophobicContact CB-CB 4.12Å; D789-A791 PolarHBondContact O-N 2.78Å; D789-A791 VanDerWaalsContact O-N 3.14Å; D789-A791 PolarHBondContact OD1-N 2.84Å; D789-R861 WeakPolarHBondContact OD2-CB 3.34Å; D789-R861 WeakPolarHBondContact OD2-CD 3.35Å; D789-R861 WeakPolarHBondContact OD2-CG 3.13Å; D789-T862 PolarHBondContact OD2-N 2.68Å; D789-T862 PolarHBondContact OD2-OG1 3.17Å
790	A	82.7	Confident	85.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.208	C	C	.	.			trans	44.1	42.2	-173	0	0	0	0	0	110.7	P787 L788 F834 P837 A840	P787-A790 WeakPolarHBondContact O-CA 3.29Å; P787-A790 PolarHBondContact O-N 2.84Å; L788-A790 PolarHBondContact O-N 2.84Å; A790-F834 HydrophobicContact CB-CB 4.33Å; A790-F834 WeakPolarHBondContact CB-O 3.15Å; A790-F834 VanDerWaalsContact O-CD2 3.31Å; A790-F834 WeakPolarHBondContact O-CD2 3.42Å; A790-F834 PolarHBondContact O-N 3.45Å; A790-P837 HydrophobicContact CB-CG 4.44Å; A790-A840 VanDerWaalsContact C-CB 3.48Å
791	A	89.3	Confident	86.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139	-169.5	0	0	0	0	0	113.5	D789 L831 F832 V833 R861	D789-A791 HydrophobicContact CB-CB 4.12Å; D789-A791 PolarHBondContact O-N 2.78Å; D789-A791 VanDerWaalsContact O-N 3.14Å; D789-A791 PolarHBondContact OD1-N 2.84Å; A791-L831 HydrophobicContact CB-CD1 4.02Å; A791-F832 CarbonylContact C-O 3.6Å; A791-F832 WeakPolarHBondContact CA-O 3.18Å; A791-V833 HydrophobicContact CB-CG2 4.1Å; A791-R861 HydrophobicContact CB-CB 4.04Å; A791-R861 PolarHBondContact O-N 3.01Å
792	C	92.5	Very high	86.6	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146	168.5	71	0	0	0	0	111.3	F832 V858 E859	C792-F832 PolarHBondContact N-O 3.26Å; C792-F832 PolarHBondContact O-N 2.9Å; C792-V858 HydrophobicContact CB-CG1 3.97Å; C792-E859 CarbonylContact C-O 3.59Å; C792-E859 VanDerWaalsContact CA-O 3.24Å; C792-E859 WeakPolarHBondContact CA-O 3.42Å; C792-E859 WeakPolarHBondContact CB-O 3.35Å
793	C	94.2	Very high	87.2	Confident	13 Å²	13	33.6 Å²	33.6	9%	0.088	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.1	172.1	-170.2	0	0	0	0	107.9	R795 H829 V858 E859	C793-R795 PolarHBondContact SG-NE 2.94Å; C793-R795 VanDerWaalsContact SG-NE 3.42Å; C793-H829 PolarHBondContact SG-CD2 3.49Å; C793-V858 WeakPolarHBondContact O-CA 3.08Å; C793-E859 PolarHBondContact N-O 3.23Å; C793-E859 PolarHBondContact O-N 2.86Å
794	V	95.2	Very high	87.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.7	177.8	-177.7	0	0	0	0	109.1	I809 H829 A830 F832 L856 S857 V858	V794-I809 HydrophobicContact CG1-CD1 4.22Å; V794-I809 HydrophobicContact CG1-CG2 3.93Å; V794-H829 CarbonylContact O-C 3.1Å; V794-H829 VanDerWaalsContact O-CA 3.31Å; V794-H829 WeakPolarHBondContact O-CA 3.49Å; V794-A830 PolarHBondContact N-O 3.07Å; V794-A830 PolarHBondContact O-N 3.27Å; V794-F832 HydrophobicContact CB-CD2 4.08Å; V794-F832 HydrophobicContact CB-CE2 3.97Å; V794-F832 HydrophobicContact CG2-CD2 3.52Å; V794-F832 HydrophobicContact CG2-CE2 3.75Å; V794-F832 HydrophobicContact CG2-CG 4.29Å; V794-L856 HydrophobicContact CG1-CD1 4.43Å; V794-L856 HydrophobicContact CG1-CD2 4.11Å; V794-S857 WeakPolarHBondContact CA-O 3.37Å; V794-V858 HydrophobicContact CG1-CG2 4.18Å; V794-V858 HydrophobicContact CG2-CG1 4.14Å; V794-V858 HydrophobicContact CG2-CG2 4.13Å
795	R	94.7	Very high	88.2	Confident	109 Å²	109	36.3 Å²	36.3	41%	0.411	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	162.1	177.7	-46.2	-164.7	178.9	169.1	3.4	110.1	C793 H829 L856 S857	C793-R795 PolarHBondContact SG-NE 2.94Å; C793-R795 VanDerWaalsContact SG-NE 3.42Å; R795-H829 HydrophobicContact CG-CB 3.6Å; R795-L856 CarbonylContact O-C 3.52Å; R795-L856 WeakPolarHBondContact O-CA 3.49Å; R795-S857 PolarHBondContact N-O 3.34Å; R795-S857 PolarHBondContact O-N 3.34Å
796	L	94.5	Very high	88.9	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.2	163.2	-53.9	-178.1	0	0	0	107.7	D798 G799 V802 L805 H854 L856	L796-D798 WeakPolarHBondContact CB-OD1 3.32Å; L796-D798 PolarHBondContact O-N 3.17Å; L796-D798 VanDerWaalsContact O-N 3.11Å; L796-G799 PolarHBondContact O-N 3.17Å; L796-V802 HydrophobicContact CD2-CG2 4.21Å; L796-V802 HydrophobicContact CG-CB 4.34Å; L796-V802 HydrophobicContact CG-CG2 4.26Å; L796-L805 HydrophobicContact CD1-CD1 3.83Å; L796-L805 HydrophobicContact CD2-CD1 3.84Å; L796-H854 HydrophobicContact CB-CB 4.46Å; L796-H854 HydrophobicContact CD1-CB 4.35Å; L796-H854 HydrophobicContact CD2-CB 4.02Å; L796-L856 HydrophobicContact CD2-CD2 3.78Å
797	S	93.1	Very high	89.5	Confident	74 Å²	74	41.1 Å²	41.1	52%	0.517	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.4	-174	-53.3	0	0	0	0	113.6	A855 L856	S797-A855 PolarHBondContact N-O 3.39Å; S797-A855 PolarHBondContact OG-O 3.12Å; S797-A855 VanDerWaalsContact OG-O 3.09Å; S797-L856 PolarHBondContact OG-O 2.65Å
798	D	91.7	Very high	90.1	Very high	93 Å²	93	45.6 Å²	45.6	50%	0.497	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.5	176.1	69.9	-22.2	0	0	0	113.5	L796 S800 H854	L796-D798 WeakPolarHBondContact CB-OD1 3.32Å; L796-D798 PolarHBondContact O-N 3.17Å; L796-D798 VanDerWaalsContact O-N 3.11Å; D798-S800 VanDerWaalsContact C-N 3.32Å; D798-S800 VanDerWaalsContact CG-OG 3.25Å; D798-S800 VanDerWaalsContact OD1-CB 3.3Å; D798-S800 WeakPolarHBondContact OD1-CB 3.46Å; D798-S800 PolarHBondContact OD1-N 3.44Å; D798-S800 VanDerWaalsContact OD1-N 3.08Å; D798-S800 PolarHBondContact OD1-OG 2.98Å; D798-S800 PolarHBondContact OD2-OG 2.87Å; D798-H854 IonicContact OD1-CD2 3.08Å; D798-H854 IonicContact OD2-CD2 3.56Å; D798-H854 PolarHBondContact OD2-CD2 3.28Å; D798-H854 IonicContact OD2-NE2 2.58Å
799	G	89.7	Confident	91.1	Very high	63 Å²	63	44.4 Å²	44.4	65%	0.649	26%	0.259	S	S	*	.			trans	81.4	5.6	-179	0	0	0	0	0	114.9	L796	L796-G799 PolarHBondContact O-N 3.17Å
800	S	90.8	Very high	91.9	Very high	45 Å²	45	47.3 Å²	47.3	32%	0.315	27%	0.271	S	S	.	.			trans	-65.4	158.3	176.5	-69.2	0	0	0	0	112.3	D798 V802	D798-S800 VanDerWaalsContact C-N 3.32Å; D798-S800 VanDerWaalsContact CG-OG 3.25Å; D798-S800 VanDerWaalsContact OD1-CB 3.3Å; D798-S800 WeakPolarHBondContact OD1-CB 3.46Å; D798-S800 PolarHBondContact OD1-N 3.44Å; D798-S800 VanDerWaalsContact OD1-N 3.08Å; D798-S800 PolarHBondContact OD1-OG 2.98Å; D798-S800 PolarHBondContact OD2-OG 2.87Å; S800-V802 PolarHBondContact O-N 2.84Å
801	D	92.6	Very high	92.3	Very high	85 Å²	85	52.3 Å²	52.3	46%	0.455	30%	0.295	S	S	.	.			trans	-67.2	123.2	178.9	-168.5	-42.1	0	0	0	111.3	T803 G827	D801-T803 VanDerWaalsContact C-N 3.29Å; D801-T803 PolarHBondContact O-N 2.8Å; D801-T803 WeakPolarHBondContact OD1-CB 3.41Å; D801-T803 PolarHBondContact OD1-N 3.18Å; D801-T803 PolarHBondContact OD1-OG1 2.69Å; D801-G827 CarbonylContact C-O 3.59Å; D801-G827 WeakPolarHBondContact CA-O 3.47Å; D801-G827 WeakPolarHBondContact OD1-CA 3.2Å; D801-G827 VanDerWaalsContact OD1-O 3.12Å
802	V	93.5	Very high	92.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-75.9	-16	-176	79.4	0	0	0	0	113.3	L796 S800 N804 L805 L806 I809 C825 G827 A830	L796-V802 HydrophobicContact CD2-CG2 4.21Å; L796-V802 HydrophobicContact CG-CB 4.34Å; L796-V802 HydrophobicContact CG-CG2 4.26Å; S800-V802 PolarHBondContact O-N 2.84Å; V802-N804 VanDerWaalsContact C-N 3.28Å; V802-N804 PolarHBondContact O-N 2.82Å; V802-L805 PolarHBondContact O-N 2.74Å; V802-L806 PolarHBondContact O-N 2.68Å; V802-L806 VanDerWaalsContact O-N 3.13Å; V802-I809 HydrophobicContact CG2-CD1 3.25Å; V802-C825 VanDerWaalsContact CG1-SG 3.56Å; V802-G827 WeakPolarHBondContact CG1-O 3.33Å; V802-G827 PolarHBondContact N-O 2.92Å; V802-A830 HydrophobicContact CG1-CB 3.92Å
803	T	92.7	Very high	92.2	Very high	70 Å²	70	55.7 Å²	55.7	43%	0.429	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-55.1	-43.3	-170.6	-55.5	0	0	0	0	111.8	D801 L805 L806 C825	D801-T803 VanDerWaalsContact C-N 3.29Å; D801-T803 PolarHBondContact O-N 2.8Å; D801-T803 WeakPolarHBondContact OD1-CB 3.41Å; D801-T803 PolarHBondContact OD1-N 3.18Å; D801-T803 PolarHBondContact OD1-OG1 2.69Å; T803-L805 VanDerWaalsContact C-N 3.28Å; T803-L805 PolarHBondContact O-N 3.39Å; T803-L806 WeakPolarHBondContact O-CB 3.19Å; T803-L806 PolarHBondContact O-N 3.44Å; T803-C825 PolarHBondContact OG1-SG 3.21Å; T803-C825 VanDerWaalsContact OG1-SG 3.37Å
804	N	90.3	Very high	91.9	Very high	148 Å²	148	61.5 Å²	61.5	79%	0.791	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-71.7	-21.7	-177.5	-66	-28	0	0	0	113.2	V802	V802-N804 VanDerWaalsContact C-N 3.28Å; V802-N804 PolarHBondContact O-N 2.82Å
805	L	92.6	Very high	91.7	Very high	9 Å²	9	67.4 Å²	67.4	5%	0.047	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-101.7	-1.9	-179.8	-63.7	-178.3	0	0	0	113.4	L796 V802 T803 C807 K808 I809 I851 E852 H854	L796-L805 HydrophobicContact CD1-CD1 3.83Å; L796-L805 HydrophobicContact CD2-CD1 3.84Å; V802-L805 PolarHBondContact O-N 2.74Å; T803-L805 VanDerWaalsContact C-N 3.28Å; T803-L805 PolarHBondContact O-N 3.39Å; L805-C807 VanDerWaalsContact C-N 3.31Å; L805-C807 PolarHBondContact O-N 3.2Å; L805-K808 HydrophobicContact CD2-CD 4.49Å; L805-K808 PolarHBondContact O-N 3.22Å; L805-I809 HydrophobicContact CB-CD1 4.16Å; L805-I809 WeakPolarHBondContact O-CG1 3.37Å; L805-I809 PolarHBondContact O-N 3.13Å; L805-I851 HydrophobicContact CD1-CG2 4.45Å; L805-I851 HydrophobicContact CD2-CG2 4.32Å; L805-E852 HydrophobicContact CD2-CG 4.31Å; L805-H854 HydrophobicContact CD1-CB 4.11Å
806	L	91.8	Very high	91.4	Very high	26 Å²	26	65.2 Å²	65.2	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-37	-171.8	-167.2	68	0	0	0	113.9	V802 T803 K810 V823 C825 A830 F832	V802-L806 PolarHBondContact O-N 2.68Å; V802-L806 VanDerWaalsContact O-N 3.13Å; T803-L806 WeakPolarHBondContact O-CB 3.19Å; T803-L806 PolarHBondContact O-N 3.44Å; L806-K810 WeakPolarHBondContact O-CB 3.4Å; L806-K810 VanDerWaalsContact O-CG 3.32Å; L806-K810 WeakPolarHBondContact O-CG 3.47Å; L806-K810 PolarHBondContact O-N 3.17Å; L806-V823 HydrophobicContact CD1-CG1 3.86Å; L806-V823 HydrophobicContact CD2-CG1 4.33Å; L806-V823 HydrophobicContact CG-CG1 4.44Å; L806-C825 HydrophobicContact CD2-CB 4.06Å; L806-A830 HydrophobicContact CD1-CB 3.58Å; L806-F832 HydrophobicContact CD1-CE2 4.05Å; L806-F832 HydrophobicContact CD1-CZ 3.92Å
807	C	91.9	Very high	91.1	Very high	95 Å²	95	72.2 Å²	72.2	64%	0.642	39%	0.391	S	S	*	.	H	α-helix	trans	-64.4	-43.2	176.5	-76.2	0	0	0	0	112	L805 K810 E811	L805-C807 VanDerWaalsContact C-N 3.31Å; L805-C807 PolarHBondContact O-N 3.2Å; C807-K810 WeakPolarHBondContact O-CB 3.37Å; C807-K810 PolarHBondContact O-N 3.27Å; C807-E811 WeakPolarHBondContact O-CG 3.35Å; C807-E811 PolarHBondContact O-N 3.14Å
808	K	92.2	Very high	90.7	Very high	94 Å²	94	69.1 Å²	69.1	41%	0.409	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-38.3	178.4	-63.8	-174.5	176.8	-173.1	0	111.8	L805 E811 K812 I851 E852	L805-K808 HydrophobicContact CD2-CD 4.49Å; L805-K808 PolarHBondContact O-N 3.22Å; K808-E811 PolarHBondContact O-N 3.41Å; K808-K812 PolarHBondContact O-N 3.29Å; K808-I851 HydrophobicContact CB-CG2 3.72Å; K808-I851 HydrophobicContact CD-CG2 4.1Å; K808-E852 HydrophobicContact CD-CG 4.44Å; K808-E852 IonicContact NZ-OE1 3.06Å; K808-E852 PolarHBondContact NZ-OE1 3.44Å
809	I	92.6	Very high	90.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-47.3	172.7	-64.9	163.9	0	0	0	109.9	V794 V802 L805 E811 K812 V813 F832 M846 I851 L856	V794-I809 HydrophobicContact CG1-CD1 4.22Å; V794-I809 HydrophobicContact CG1-CG2 3.93Å; V802-I809 HydrophobicContact CG2-CD1 3.25Å; L805-I809 HydrophobicContact CB-CD1 4.16Å; L805-I809 WeakPolarHBondContact O-CG1 3.37Å; L805-I809 PolarHBondContact O-N 3.13Å; I809-E811 VanDerWaalsContact C-N 3.32Å; I809-E811 PolarHBondContact O-N 3.07Å; I809-K812 PolarHBondContact O-N 2.79Å; I809-K812 VanDerWaalsContact O-N 3.17Å; I809-V813 VanDerWaalsContact O-CG2 3.3Å; I809-V813 WeakPolarHBondContact O-CG2 3.29Å; I809-V813 PolarHBondContact O-N 3.01Å; I809-F832 HydrophobicContact CB-CZ 4.26Å; I809-F832 HydrophobicContact CG2-CE1 4.17Å; I809-F832 HydrophobicContact CG2-CE2 3.91Å; I809-F832 HydrophobicContact CG2-CZ 3.41Å; I809-F832 VanDerWaalsContact CG2-CZ 3.41Å; I809-M846 HydrophobicContact CG2-CE 3.91Å; I809-I851 HydrophobicContact CB-CD1 4.18Å; I809-I851 HydrophobicContact CG1-CD1 3.53Å; I809-L856 HydrophobicContact CD1-CD2 4Å; I809-L856 HydrophobicContact CG1-CD1 4.43Å; I809-L856 HydrophobicContact CG1-CD2 3.97Å
810	K	91.8	Very high	90.2	Very high	61 Å²	61	69.8 Å²	69.8	27%	0.265	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-38.2	177.1	-76.4	173.6	178.6	179.9	0	112.8	L806 C807 V813 R814 F832	L806-K810 WeakPolarHBondContact O-CB 3.4Å; L806-K810 VanDerWaalsContact O-CG 3.32Å; L806-K810 WeakPolarHBondContact O-CG 3.47Å; L806-K810 PolarHBondContact O-N 3.17Å; C807-K810 WeakPolarHBondContact O-CB 3.37Å; C807-K810 PolarHBondContact O-N 3.27Å; K810-V813 PolarHBondContact O-N 3.46Å; K810-R814 WeakPolarHBondContact O-CG 3.24Å; K810-R814 PolarHBondContact O-N 2.87Å; K810-R814 VanDerWaalsContact O-N 3.13Å; K810-F832 HydrophobicContact CG-CE1 3.8Å; K810-F832 HydrophobicContact CG-CZ 4.11Å
811	E	90.2	Very high	89.8	Confident	105 Å²	105	71.8 Å²	71.8	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-45.4	173.9	-74.5	167.6	-180	0	0	111.3	C807 K808 I809 V813 R814 E815	C807-E811 WeakPolarHBondContact O-CG 3.35Å; C807-E811 PolarHBondContact O-N 3.14Å; K808-E811 PolarHBondContact O-N 3.41Å; I809-E811 VanDerWaalsContact C-N 3.32Å; I809-E811 PolarHBondContact O-N 3.07Å; E811-V813 VanDerWaalsContact C-N 3.31Å; E811-V813 PolarHBondContact O-N 3.33Å; E811-R814 WeakPolarHBondContact O-CB 3.26Å; E811-R814 PolarHBondContact O-N 3.2Å; E811-E815 PolarHBondContact O-N 3.11Å; E811-E815 VanDerWaalsContact O-N 3.15Å
812	K	89.7	Confident	89.5	Confident	71 Å²	71	71.1 Å²	71.1	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-38.4	176.7	-162.2	71.3	-169.1	165.6	0	112.8	K808 I809 R814 E815 M846 V849 I851	K808-K812 PolarHBondContact O-N 3.29Å; I809-K812 PolarHBondContact O-N 2.79Å; I809-K812 VanDerWaalsContact O-N 3.17Å; K812-R814 VanDerWaalsContact C-N 3.31Å; K812-R814 PolarHBondContact O-N 3.08Å; K812-E815 WeakPolarHBondContact CD-OE2 3.33Å; K812-E815 WeakPolarHBondContact CE-OE2 3.34Å; K812-E815 IonicContact NZ-OE2 3.42Å; K812-E815 PolarHBondContact NZ-OE2 2.85Å; K812-E815 WeakPolarHBondContact O-CB 3.34Å; K812-E815 PolarHBondContact O-N 3.34Å; K812-M846 HydrophobicContact CB-CE 4.18Å; K812-M846 HydrophobicContact CG-CE 4.32Å; K812-V849 HydrophobicContact CD-CG1 4.31Å; K812-V849 HydrophobicContact CG-CG1 4.26Å; K812-I851 HydrophobicContact CB-CD1 4.39Å
813	V	89.7	Confident	89.4	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-41.8	172.9	175.6	0	0	0	0	111	I809 K810 E811 E815 L816 V818 P820 F832 F834 M846	I809-V813 VanDerWaalsContact O-CG2 3.3Å; I809-V813 WeakPolarHBondContact O-CG2 3.29Å; I809-V813 PolarHBondContact O-N 3.01Å; K810-V813 PolarHBondContact O-N 3.46Å; E811-V813 VanDerWaalsContact C-N 3.31Å; E811-V813 PolarHBondContact O-N 3.33Å; V813-E815 VanDerWaalsContact C-N 3.3Å; V813-E815 PolarHBondContact O-N 3.17Å; V813-L816 WeakPolarHBondContact O-CB 3.38Å; V813-L816 PolarHBondContact O-N 3.28Å; V813-V818 HydrophobicContact CG1-CG2 3.64Å; V813-V818 WeakPolarHBondContact O-CG2 3.41Å; V813-P820 HydrophobicContact CG1-CG 4.41Å; V813-F832 HydrophobicContact CG2-CD1 4.02Å; V813-F832 HydrophobicContact CG2-CE1 3.8Å; V813-F834 HydrophobicContact CG1-CE1 3.63Å; V813-F834 HydrophobicContact CG1-CZ 4.02Å; V813-M846 HydrophobicContact CB-SD 4.14Å; V813-M846 HydrophobicContact CG2-CE 3.75Å; V813-M846 HydrophobicContact CG2-SD 3.32Å; V813-M846 WeakPolarHBondContact CG2-SD 3.43Å
814	R	89.2	Confident	89.3	Confident	135 Å²	135	75.2 Å²	75.2	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-65.9	-30.2	178.2	-67.8	179.4	-158.2	123.4	-1.9	113.1	K810 E811 K812 L816 N817	K810-R814 WeakPolarHBondContact O-CG 3.24Å; K810-R814 PolarHBondContact O-N 2.87Å; K810-R814 VanDerWaalsContact O-N 3.13Å; E811-R814 WeakPolarHBondContact O-CB 3.26Å; E811-R814 PolarHBondContact O-N 3.2Å; K812-R814 VanDerWaalsContact C-N 3.31Å; K812-R814 PolarHBondContact O-N 3.08Å; R814-L816 PolarHBondContact O-N 3.28Å; R814-N817 PolarHBondContact O-N 2.85Å
815	E	90.1	Very high	89.4	Confident	126 Å²	126	70.1 Å²	70.1	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-22.5	175.4	-67.1	175.9	-163.6	0	0	112.9	E811 K812 V813 N817	E811-E815 PolarHBondContact O-N 3.11Å; E811-E815 VanDerWaalsContact O-N 3.15Å; K812-E815 WeakPolarHBondContact CD-OE2 3.33Å; K812-E815 WeakPolarHBondContact CE-OE2 3.34Å; K812-E815 IonicContact NZ-OE2 3.42Å; K812-E815 PolarHBondContact NZ-OE2 2.85Å; K812-E815 WeakPolarHBondContact O-CB 3.34Å; K812-E815 PolarHBondContact O-N 3.34Å; V813-E815 VanDerWaalsContact C-N 3.3Å; V813-E815 PolarHBondContact O-N 3.17Å; E815-N817 PolarHBondContact O-N 3.47Å
816	L	88.3	Confident	89.4	Confident	63 Å²	63	74.5 Å²	74.5	33%	0.33	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	7.6	173.7	-61.1	175.9	0	0	0	113.1	V813 R814 V818 S845 M846	V813-L816 WeakPolarHBondContact O-CB 3.38Å; V813-L816 PolarHBondContact O-N 3.28Å; R814-L816 PolarHBondContact O-N 3.28Å; L816-V818 HydrophobicContact CB-CG2 3.99Å; L816-V818 PolarHBondContact O-N 2.72Å; L816-S845 WeakPolarHBondContact CD1-OG 3.13Å; L816-S845 WeakPolarHBondContact CD2-OG 3.35Å; L816-M846 HydrophobicContact CD1-CG 3.64Å; L816-M846 HydrophobicContact CD1-SD 4.05Å
817	N	87.8	Confident	89.3	Confident	152 Å²	152	73.9 Å²	73.9	81%	0.813	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	28.4	-171.3	-67.7	-37.2	0	0	0	113.7	R814 E815	R814-N817 PolarHBondContact O-N 2.85Å; E815-N817 PolarHBondContact O-N 3.47Å
818	V	84.7	Confident	89.3	Confident	8 Å²	8	72.9 Å²	72.9	5%	0.048	37%	0.371	C	S	.	.			trans	-115.9	146.1	172.1	-57.7	0	0	0	0	109.9	V813 L816 F834 D839 A842	V813-V818 HydrophobicContact CG1-CG2 3.64Å; V813-V818 WeakPolarHBondContact O-CG2 3.41Å; L816-V818 HydrophobicContact CB-CG2 3.99Å; L816-V818 PolarHBondContact O-N 2.72Å; V818-F834 HydrophobicContact CB-CD1 4.35Å; V818-F834 HydrophobicContact CB-CE1 4.27Å; V818-F834 HydrophobicContact CG2-CD1 4.38Å; V818-F834 HydrophobicContact CG2-CE1 3.82Å; V818-D839 HydrophobicContact CB-CB 3.99Å; V818-D839 HydrophobicContact CG1-CB 3.77Å; V818-A842 HydrophobicContact CG1-CB 4.08Å
819	Q	85	Confident	89.4	Confident	149 Å²	149	70.4 Å²	70.4	70%	0.696	36%	0.361	S	S	*	.			trans	-128.3	120.3	179.4	-174.4	172.5	-6.4	0	0	110.1	C821	Q819-C821 PolarHBondContact O-N 2.88Å
820	P	86.1	Confident	89.5	Confident	22 Å²	22	70.4 Å²	70.4	14%	0.143	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.1	175.5	28.6	-32.6	0	0	0	109.3	V813 C822 V823 F832 V833 F834	V813-P820 HydrophobicContact CG1-CG 4.41Å; P820-C822 VanDerWaalsContact C-N 3.29Å; P820-V823 HydrophobicContact CB-CG2 3.68Å; P820-V823 HydrophobicContact CG-CG2 3.63Å; P820-F832 HydrophobicContact CB-CD1 3.97Å; P820-F832 HydrophobicContact CG-CD1 3.89Å; P820-F832 HydrophobicContact CG-CE1 4.32Å; P820-V833 CarbonylContact C-O 3.53Å; P820-V833 WeakPolarHBondContact CA-O 3.33Å; P820-F834 HydrophobicContact CB-CD1 4.16Å; P820-F834 HydrophobicContact CB-CE1 4.01Å
821	C	83.3	Confident	89.6	Confident	87 Å²	87	68.7 Å²	68.7	59%	0.588	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	-29.3	171.7	-61.7	0	0	0	0	111.8	Q819 V833 G835	Q819-C821 PolarHBondContact O-N 2.88Å; C821-V833 PolarHBondContact N-O 2.85Å; C821-G835 WeakPolarHBondContact SG-CA 3.3Å; C821-G835 PolarHBondContact SG-N 3.21Å
822	C	86.3	Confident	89.8	Confident	70 Å²	70	63.7 Å²	63.7	47%	0.473	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	142.2	178.4	-177.1	0	0	0	0	109.9	P820 V833	P820-C822 VanDerWaalsContact C-N 3.29Å; C822-V833 HydrophobicContact CB-CB 4.23Å; C822-V833 PolarHBondContact N-O 3.36Å; C822-V833 VanDerWaalsContact N-O 3.14Å; C822-V833 PolarHBondContact O-N 3.47Å
823	V	91.1	Very high	89.7	Confident	33 Å²	33	61.4 Å²	61.4	20%	0.2	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.5	171.3	-177.7	0	0	0	0	108.6	L806 P820 A830 L831 F832	L806-V823 HydrophobicContact CD1-CG1 3.86Å; L806-V823 HydrophobicContact CD2-CG1 4.33Å; L806-V823 HydrophobicContact CG-CG1 4.44Å; P820-V823 HydrophobicContact CB-CG2 3.68Å; P820-V823 HydrophobicContact CG-CG2 3.63Å; V823-A830 HydrophobicContact CG1-CB 4.47Å; V823-L831 CarbonylContact C-O 3.47Å; V823-L831 VanDerWaalsContact CA-O 3.31Å; V823-L831 WeakPolarHBondContact CA-O 3.23Å; V823-F832 HydrophobicContact CG1-CD1 4.29Å; V823-F832 HydrophobicContact CG1-CD2 4.04Å; V823-F832 HydrophobicContact CG1-CE1 4.06Å; V823-F832 HydrophobicContact CG1-CE2 3.79Å; V823-F832 HydrophobicContact CG1-CG 4.26Å; V823-F832 HydrophobicContact CG1-CZ 3.78Å; V823-F832 HydrophobicContact CG2-CD1 3.56Å; V823-F832 HydrophobicContact CG2-CE1 3.7Å; V823-F832 HydrophobicContact CG2-CG 4.04Å; V823-F832 HydrophobicContact CG2-CZ 4.29Å
824	K	91.5	Very high	89.5	Confident	123 Å²	123	61.5 Å²	61.5	54%	0.535	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121	177.7	-172	169.7	179.8	179	0	109.9	F826 A830 L831	K824-F826 HydrophobicContact CB-CE2 4.2Å; K824-F826 HydrophobicContact CB-CZ 4.43Å; K824-F826 HydrophobicContact CD-CE1 4.09Å; K824-F826 HydrophobicContact CD-CE2 4.18Å; K824-F826 HydrophobicContact CD-CZ 3.56Å; K824-F826 HydrophobicContact CG-CE1 4.29Å; K824-F826 HydrophobicContact CG-CE2 3.89Å; K824-F826 HydrophobicContact CG-CZ 3.74Å; K824-A830 CarbonylContact O-C 3.56Å; K824-A830 WeakPolarHBondContact O-CA 2.98Å; K824-L831 PolarHBondContact N-O 2.92Å; K824-L831 PolarHBondContact O-N 3.39Å
825	C	92	Very high	88.7	Confident	42 Å²	42	57 Å²	57	28%	0.284	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.2	-179.9	-172.2	0	0	0	0	110.8	V802 T803 L806 A830	V802-C825 VanDerWaalsContact CG1-SG 3.56Å; T803-C825 PolarHBondContact OG1-SG 3.21Å; T803-C825 VanDerWaalsContact OG1-SG 3.37Å; L806-C825 HydrophobicContact CD2-CB 4.06Å; C825-A830 HydrophobicContact CB-CB 4.5Å
826	F	92.3	Very high	87.8	Confident	100 Å²	100	58.1 Å²	58.1	44%	0.439	32%	0.317	S	S	.	.			trans	-121	15.8	-179.2	-60.4	-87.4	0	0	0	112.2	K824 S828 H829 L831	K824-F826 HydrophobicContact CB-CE2 4.2Å; K824-F826 HydrophobicContact CB-CZ 4.43Å; K824-F826 HydrophobicContact CD-CE1 4.09Å; K824-F826 HydrophobicContact CD-CE2 4.18Å; K824-F826 HydrophobicContact CD-CZ 3.56Å; K824-F826 HydrophobicContact CG-CE1 4.29Å; K824-F826 HydrophobicContact CG-CE2 3.89Å; K824-F826 HydrophobicContact CG-CZ 3.74Å; F826-S828 VanDerWaalsContact C-N 3.28Å; F826-S828 PolarHBondContact O-N 2.72Å; F826-H829 AromaticContact CD2-CD2 3.81Å; F826-H829 AromaticContact CD2-CE1 3.79Å; F826-H829 AromaticContact CD2-NE2 3.33Å; F826-H829 VanDerWaalsContact CD2-NE2 3.33Å; F826-H829 WeakPolarHBondContact CD2-NE2 3.02Å; F826-H829 AromaticContact CE2-NE2 3.87Å; F826-H829 AromaticContact CG-CE1 3.89Å; F826-H829 AromaticContact CG-NE2 3.91Å; F826-H829 PolarHBondContact N-O 3.42Å; F826-L831 HydrophobicContact CE2-CB 4.13Å
827	G	89.9	Confident	87.4	Confident	14 Å²	14	55.8 Å²	55.8	14%	0.144	31%	0.306	C	S	.	.	S	Bend	trans	79.2	-68	-172.8	0	0	0	0	0	112.2	D801 V802 H829	D801-G827 CarbonylContact C-O 3.59Å; D801-G827 WeakPolarHBondContact CA-O 3.47Å; D801-G827 WeakPolarHBondContact OD1-CA 3.2Å; D801-G827 VanDerWaalsContact OD1-O 3.12Å; V802-G827 WeakPolarHBondContact CG1-O 3.33Å; V802-G827 PolarHBondContact N-O 2.92Å; G827-H829 VanDerWaalsContact C-N 3.25Å; G827-H829 PolarHBondContact O-N 3.32Å
828	S	91.5	Very high	87.1	Confident	73 Å²	73	50.2 Å²	50.2	51%	0.51	28%	0.284	S	S	.	.	S	Bend	trans	-68.4	-22.4	-179.4	61.4	0	0	0	0	114.5	F826	F826-S828 VanDerWaalsContact C-N 3.28Å; F826-S828 PolarHBondContact O-N 2.72Å
829	H	94.4	Very high	87.2	Confident	42 Å²	42	50.6 Å²	50.6	19%	0.194	29%	0.286	C	S	.	.			trans	-159.3	164.8	180	66.4	-77.4	0	0	0	111	C793 V794 R795 F826 G827	C793-H829 PolarHBondContact SG-CD2 3.49Å; V794-H829 CarbonylContact O-C 3.1Å; V794-H829 VanDerWaalsContact O-CA 3.31Å; V794-H829 WeakPolarHBondContact O-CA 3.49Å; R795-H829 HydrophobicContact CG-CB 3.6Å; F826-H829 AromaticContact CD2-CD2 3.81Å; F826-H829 AromaticContact CD2-CE1 3.79Å; F826-H829 AromaticContact CD2-NE2 3.33Å; F826-H829 VanDerWaalsContact CD2-NE2 3.33Å; F826-H829 WeakPolarHBondContact CD2-NE2 3.02Å; F826-H829 AromaticContact CE2-NE2 3.87Å; F826-H829 AromaticContact CG-CE1 3.89Å; F826-H829 AromaticContact CG-NE2 3.91Å; F826-H829 PolarHBondContact N-O 3.42Å; G827-H829 VanDerWaalsContact C-N 3.25Å; G827-H829 PolarHBondContact O-N 3.32Å
830	A	94.9	Very high	87.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.4	171.4	0	0	0	0	0	109.8	V794 V802 L806 V823 K824 C825 F832	V794-A830 PolarHBondContact N-O 3.07Å; V794-A830 PolarHBondContact O-N 3.27Å; V802-A830 HydrophobicContact CG1-CB 3.92Å; L806-A830 HydrophobicContact CD1-CB 3.58Å; V823-A830 HydrophobicContact CG1-CB 4.47Å; K824-A830 CarbonylContact O-C 3.56Å; K824-A830 WeakPolarHBondContact O-CA 2.98Å; C825-A830 HydrophobicContact CB-CB 4.5Å; A830-F832 HydrophobicContact CB-CD2 4.18Å; A830-F832 HydrophobicContact CB-CE2 3.68Å
831	L	93.4	Very high	87.4	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.131	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.9	173.5	-174.8	71	0	0	0	109	A791 V823 K824 F826 V833 R861	A791-L831 HydrophobicContact CB-CD1 4.02Å; V823-L831 CarbonylContact C-O 3.47Å; V823-L831 VanDerWaalsContact CA-O 3.31Å; V823-L831 WeakPolarHBondContact CA-O 3.23Å; K824-L831 PolarHBondContact N-O 2.92Å; K824-L831 PolarHBondContact O-N 3.39Å; F826-L831 HydrophobicContact CE2-CB 4.13Å; L831-V833 HydrophobicContact CD2-CG2 4.2Å; L831-V833 HydrophobicContact CG-CG2 4.18Å; L831-R861 HydrophobicContact CD1-CB 4.16Å; L831-R861 HydrophobicContact CD1-CG 4.37Å
832	F	93.5	Very high	87.7	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.4	173.2	-74.8	-112.9	0	0	0	108.2	A791 C792 V794 L806 I809 K810 V813 P820 V823 A830 F834	A791-F832 CarbonylContact C-O 3.6Å; A791-F832 WeakPolarHBondContact CA-O 3.18Å; C792-F832 PolarHBondContact N-O 3.26Å; C792-F832 PolarHBondContact O-N 2.9Å; V794-F832 HydrophobicContact CB-CD2 4.08Å; V794-F832 HydrophobicContact CB-CE2 3.97Å; V794-F832 HydrophobicContact CG2-CD2 3.52Å; V794-F832 HydrophobicContact CG2-CE2 3.75Å; V794-F832 HydrophobicContact CG2-CG 4.29Å; L806-F832 HydrophobicContact CD1-CE2 4.05Å; L806-F832 HydrophobicContact CD1-CZ 3.92Å; I809-F832 HydrophobicContact CB-CZ 4.26Å; I809-F832 HydrophobicContact CG2-CE1 4.17Å; I809-F832 HydrophobicContact CG2-CE2 3.91Å; I809-F832 HydrophobicContact CG2-CZ 3.41Å; I809-F832 VanDerWaalsContact CG2-CZ 3.41Å; K810-F832 HydrophobicContact CG-CE1 3.8Å; K810-F832 HydrophobicContact CG-CZ 4.11Å; V813-F832 HydrophobicContact CG2-CD1 4.02Å; V813-F832 HydrophobicContact CG2-CE1 3.8Å; P820-F832 HydrophobicContact CB-CD1 3.97Å; P820-F832 HydrophobicContact CG-CD1 3.89Å; P820-F832 HydrophobicContact CG-CE1 4.32Å; V823-F832 HydrophobicContact CG1-CD1 4.29Å; V823-F832 HydrophobicContact CG1-CD2 4.04Å; V823-F832 HydrophobicContact CG1-CE1 4.06Å; V823-F832 HydrophobicContact CG1-CE2 3.79Å; V823-F832 HydrophobicContact CG1-CG 4.26Å; V823-F832 HydrophobicContact CG1-CZ 3.78Å; V823-F832 HydrophobicContact CG2-CD1 3.56Å; V823-F832 HydrophobicContact CG2-CE1 3.7Å; V823-F832 HydrophobicContact CG2-CG 4.04Å; V823-F832 HydrophobicContact CG2-CZ 4.29Å; A830-F832 HydrophobicContact CB-CD2 4.18Å; A830-F832 HydrophobicContact CB-CE2 3.68Å; F832-F834 HydrophobicContact CB-CE2 3.93Å; F832-F834 HydrophobicContact CB-CZ 3.99Å
833	V	88.5	Confident	88	Confident	23 Å²	23	39.6 Å²	39.6	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.8	177.7	-178	0	0	0	0	108.1	F81 A791 P820 C821 C822 L831	F81-V833 HydrophobicContact CE1-CG1 3.9Å; F81-V833 HydrophobicContact CZ-CG1 4.45Å; A791-V833 HydrophobicContact CB-CG2 4.1Å; P820-V833 CarbonylContact C-O 3.53Å; P820-V833 WeakPolarHBondContact CA-O 3.33Å; C821-V833 PolarHBondContact N-O 2.85Å; C822-V833 HydrophobicContact CB-CB 4.23Å; C822-V833 PolarHBondContact N-O 3.36Å; C822-V833 VanDerWaalsContact N-O 3.14Å; C822-V833 PolarHBondContact O-N 3.47Å; L831-V833 HydrophobicContact CD2-CG2 4.2Å; L831-V833 HydrophobicContact CG-CG2 4.18Å
834	F	85.1	Confident	88	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	165.9	-176.9	-59.2	-85.1	0	0	0	112	A790 V813 V818 P820 F832 D839 A840 A843	A790-F834 HydrophobicContact CB-CB 4.33Å; A790-F834 WeakPolarHBondContact CB-O 3.15Å; A790-F834 VanDerWaalsContact O-CD2 3.31Å; A790-F834 WeakPolarHBondContact O-CD2 3.42Å; A790-F834 PolarHBondContact O-N 3.45Å; V813-F834 HydrophobicContact CG1-CE1 3.63Å; V813-F834 HydrophobicContact CG1-CZ 4.02Å; V818-F834 HydrophobicContact CB-CD1 4.35Å; V818-F834 HydrophobicContact CB-CE1 4.27Å; V818-F834 HydrophobicContact CG2-CD1 4.38Å; V818-F834 HydrophobicContact CG2-CE1 3.82Å; P820-F834 HydrophobicContact CB-CD1 4.16Å; P820-F834 HydrophobicContact CB-CE1 4.01Å; F832-F834 HydrophobicContact CB-CE2 3.93Å; F832-F834 HydrophobicContact CB-CZ 3.99Å; F834-D839 HydrophobicContact CB-CB 3.68Å; F834-D839 HydrophobicContact CD1-CB 3.94Å; F834-D839 HydrophobicContact CG-CB 3.86Å; F834-A840 HydrophobicContact CD2-CB 3.8Å; F834-A840 HydrophobicContact CE2-CB 4.33Å; F834-A843 HydrophobicContact CE2-CB 3.76Å; F834-A843 HydrophobicContact CZ-CB 3.58Å
835	G	71.9	Confident	88	Confident	40 Å²	40	38.5 Å²	38.5	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	-72.8	-33.3	177.2	0	0	0	0	0	112.5	C821	C821-G835 WeakPolarHBondContact SG-CA 3.3Å; C821-G835 PolarHBondContact SG-N 3.21Å
836	R	73	Confident	88	Confident	150 Å²	150	36.7 Å²	36.7	57%	0.566	22%	0.217	S	C	*	.	S	Bend	trans	-123.4	139.8	-177.9	-55.4	176.8	-64.6	-178.9	4.1	110.9	G838 D839	R836-G838 PolarHBondContact O-N 3.49Å; R836-D839 WeakPolarHBondContact CB-OD2 3.15Å; R836-D839 IonicContact CZ-OD1 3.33Å; R836-D839 IonicContact CZ-OD2 3.64Å; R836-D839 IonicContact NE-OD1 3.83Å; R836-D839 PolarHBondContact NE-OD1 3.08Å; R836-D839 IonicContact NE-OD2 2.88Å; R836-D839 PolarHBondContact NE-OD2 3.44Å; R836-D839 VanDerWaalsContact NE-OD2 3.09Å; R836-D839 IonicContact NH2-OD1 3.72Å; R836-D839 PolarHBondContact NH2-OD1 2.86Å; R836-D839 IonicContact NH2-OD2 3.1Å; R836-D839 WeakPolarHBondContact O-CB 3.36Å; R836-D839 PolarHBondContact O-N 2.89Å
837	P	78.1	Confident	88.1	Confident	15 Å²	15	36.2 Å²	36.2	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-50.5	-39.7	173.2	-33.5	40.2	0	0	0	114.3	M785 P787 A790 D839 A840 L841	M785-P837 CarbonylContact O-C 3.57Å; M785-P837 VanDerWaalsContact O-C 3.26Å; M785-P837 VanDerWaalsContact O-CB 3.24Å; M785-P837 WeakPolarHBondContact O-CB 3.48Å; P787-P837 VanDerWaalsContact O-CB 3.27Å; P787-P837 WeakPolarHBondContact O-CB 3.23Å; A790-P837 HydrophobicContact CB-CG 4.44Å; P837-D839 VanDerWaalsContact C-N 3.26Å; P837-D839 PolarHBondContact O-N 2.97Å; P837-A840 WeakPolarHBondContact O-CB 3.26Å; P837-A840 PolarHBondContact O-N 3.11Å; P837-A840 VanDerWaalsContact O-N 3.08Å; P837-L841 PolarHBondContact O-N 2.84Å
838	G	81.7	Confident	88.3	Confident	34 Å²	34	37.8 Å²	37.8	35%	0.351	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-27.7	178.7	0	0	0	0	0	114	M785 R836 A840 L841 A842	M785-G838 WeakPolarHBondContact O-CA 3.42Å; M785-G838 PolarHBondContact O-N 3.5Å; R836-G838 PolarHBondContact O-N 3.49Å; G838-A840 VanDerWaalsContact C-N 3.3Å; G838-A840 PolarHBondContact O-N 3.43Å; G838-L841 WeakPolarHBondContact O-CB 3.31Å; G838-L841 PolarHBondContact O-N 2.85Å; G838-A842 PolarHBondContact O-N 2.91Å
839	D	87.3	Confident	88.4	Confident	16 Å²	16	36.1 Å²	36.1	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-70.1	-31.1	176.1	-61.8	-28.3	0	0	0	111	V818 F834 R836 P837 A842 A843	V818-D839 HydrophobicContact CB-CB 3.99Å; V818-D839 HydrophobicContact CG1-CB 3.77Å; F834-D839 HydrophobicContact CB-CB 3.68Å; F834-D839 HydrophobicContact CD1-CB 3.94Å; F834-D839 HydrophobicContact CG-CB 3.86Å; R836-D839 WeakPolarHBondContact CB-OD2 3.15Å; R836-D839 IonicContact CZ-OD1 3.33Å; R836-D839 IonicContact CZ-OD2 3.64Å; R836-D839 IonicContact NE-OD1 3.83Å; R836-D839 PolarHBondContact NE-OD1 3.08Å; R836-D839 IonicContact NE-OD2 2.88Å; R836-D839 PolarHBondContact NE-OD2 3.44Å; R836-D839 VanDerWaalsContact NE-OD2 3.09Å; R836-D839 IonicContact NH2-OD1 3.72Å; R836-D839 PolarHBondContact NH2-OD1 2.86Å; R836-D839 IonicContact NH2-OD2 3.1Å; R836-D839 WeakPolarHBondContact O-CB 3.36Å; R836-D839 PolarHBondContact O-N 2.89Å; P837-D839 VanDerWaalsContact C-N 3.26Å; P837-D839 PolarHBondContact O-N 2.97Å; D839-A842 PolarHBondContact O-N 2.8Å; D839-A843 WeakPolarHBondContact O-CB 3.1Å; D839-A843 PolarHBondContact O-N 2.83Å
840	A	88.3	Confident	88.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.7	-37	173.1	0	0	0	0	0	112	P787 A790 F834 P837 G838 A843 L844 L860	P787-A840 HydrophobicContact CG-CB 4.2Å; A790-A840 VanDerWaalsContact C-CB 3.48Å; F834-A840 HydrophobicContact CD2-CB 3.8Å; F834-A840 HydrophobicContact CE2-CB 4.33Å; P837-A840 WeakPolarHBondContact O-CB 3.26Å; P837-A840 PolarHBondContact O-N 3.11Å; P837-A840 VanDerWaalsContact O-N 3.08Å; G838-A840 VanDerWaalsContact C-N 3.3Å; G838-A840 PolarHBondContact O-N 3.43Å; A840-A843 PolarHBondContact O-N 3.3Å; A840-L844 PolarHBondContact O-N 3.26Å; A840-L860 HydrophobicContact CB-CD2 4.34Å
841	L	88.2	Confident	88	Confident	57 Å²	57	42.6 Å²	42.6	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-45.1	170.2	-71.9	178.6	0	0	0	111.3	G786 P837 G838 A843 L844 L860 W865	G786-L841 VanDerWaalsContact CA-CG 3.5Å; P837-L841 PolarHBondContact O-N 2.84Å; G838-L841 WeakPolarHBondContact O-CB 3.31Å; G838-L841 PolarHBondContact O-N 2.85Å; L841-A843 VanDerWaalsContact C-N 3.26Å; L841-A843 PolarHBondContact O-N 3.39Å; L841-L844 HydrophobicContact CD2-CD1 4.2Å; L841-L844 VanDerWaalsContact O-CB 3.28Å; L841-L844 WeakPolarHBondContact O-CB 3.46Å; L841-L844 PolarHBondContact O-N 3.27Å; L841-L844 VanDerWaalsContact O-N 3.1Å; L841-L860 HydrophobicContact CD2-CD1 3.95Å; L841-W865 HydrophobicContact CD2-CZ2 4.23Å
842	A	89.4	Confident	87.8	Confident	41 Å²	41	47 Å²	47	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-38.4	176.6	0	0	0	0	0	111.7	V818 G838 D839 L844 S845	V818-A842 HydrophobicContact CG1-CB 4.08Å; G838-A842 PolarHBondContact O-N 2.91Å; D839-A842 PolarHBondContact O-N 2.8Å; A842-L844 PolarHBondContact O-N 3.01Å; A842-S845 WeakPolarHBondContact O-CB 3.49Å; A842-S845 PolarHBondContact O-N 2.97Å; A842-S845 VanDerWaalsContact O-N 3.08Å; A842-S845 PolarHBondContact O-OG 3.14Å
843	A	91.4	Very high	87.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-21.3	176.9	0	0	0	0	0	113.9	F834 D839 A840 L841 S845 M846	F834-A843 HydrophobicContact CE2-CB 3.76Å; F834-A843 HydrophobicContact CZ-CB 3.58Å; D839-A843 WeakPolarHBondContact O-CB 3.1Å; D839-A843 PolarHBondContact O-N 2.83Å; A840-A843 PolarHBondContact O-N 3.3Å; L841-A843 VanDerWaalsContact C-N 3.26Å; L841-A843 PolarHBondContact O-N 3.39Å; A843-S845 PolarHBondContact O-N 3.28Å; A843-M846 VanDerWaalsContact O-CB 3.29Å; A843-M846 WeakPolarHBondContact O-CB 3.5Å; A843-M846 PolarHBondContact O-N 3.15Å
844	L	91.4	Very high	87.8	Confident	57 Å²	57	52.6 Å²	52.6	30%	0.298	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.6	172.4	-68.6	174.5	0	0	0	112.9	A840 L841 A842 M846 D847 V858 L860	A840-L844 PolarHBondContact O-N 3.26Å; L841-L844 HydrophobicContact CD2-CD1 4.2Å; L841-L844 VanDerWaalsContact O-CB 3.28Å; L841-L844 WeakPolarHBondContact O-CB 3.46Å; L841-L844 PolarHBondContact O-N 3.27Å; L841-L844 VanDerWaalsContact O-N 3.1Å; A842-L844 PolarHBondContact O-N 3.01Å; L844-M846 PolarHBondContact O-N 3.43Å; L844-D847 VanDerWaalsContact O-CB 3.32Å; L844-D847 WeakPolarHBondContact O-CB 3.33Å; L844-D847 PolarHBondContact O-N 3.28Å; L844-V858 HydrophobicContact CD2-CG1 4.45Å; L844-V858 WeakPolarHBondContact CD2-O 3.4Å; L844-L860 HydrophobicContact CD1-CD1 4.05Å; L844-L860 HydrophobicContact CD1-CD2 3.8Å; L844-L860 HydrophobicContact CD1-CG 3.79Å; L844-L860 HydrophobicContact CD2-CD2 3.81Å; L844-L860 HydrophobicContact CD2-CG 3.91Å; L844-L860 HydrophobicContact CG-CD2 3.73Å; L844-L860 HydrophobicContact CG-CG 4.11Å
845	S	92.3	Very high	88.2	Confident	75 Å²	75	53.8 Å²	53.8	52%	0.524	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-62.8	-11.4	173.5	67.3	0	0	0	0	113.7	L816 A842 A843 D847	L816-S845 WeakPolarHBondContact CD1-OG 3.13Å; L816-S845 WeakPolarHBondContact CD2-OG 3.35Å; A842-S845 WeakPolarHBondContact O-CB 3.49Å; A842-S845 PolarHBondContact O-N 2.97Å; A842-S845 VanDerWaalsContact O-N 3.08Å; A842-S845 PolarHBondContact O-OG 3.14Å; A843-S845 PolarHBondContact O-N 3.28Å; S845-D847 VanDerWaalsContact C-N 3.35Å
846	M	91.8	Very high	89.4	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.02	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-81.2	-11.6	172.4	-64.5	-178.4	43.4	0	0	113.9	I809 K812 V813 L816 A843 L844 G848 V849 L856 V858	I809-M846 HydrophobicContact CG2-CE 3.91Å; K812-M846 HydrophobicContact CB-CE 4.18Å; K812-M846 HydrophobicContact CG-CE 4.32Å; V813-M846 HydrophobicContact CB-SD 4.14Å; V813-M846 HydrophobicContact CG2-CE 3.75Å; V813-M846 HydrophobicContact CG2-SD 3.32Å; V813-M846 WeakPolarHBondContact CG2-SD 3.43Å; L816-M846 HydrophobicContact CD1-CG 3.64Å; L816-M846 HydrophobicContact CD1-SD 4.05Å; A843-M846 VanDerWaalsContact O-CB 3.29Å; A843-M846 WeakPolarHBondContact O-CB 3.5Å; A843-M846 PolarHBondContact O-N 3.15Å; L844-M846 PolarHBondContact O-N 3.43Å; M846-G848 PolarHBondContact O-N 2.95Å; M846-V849 VanDerWaalsContact O-CB 3.24Å; M846-V849 WeakPolarHBondContact O-CB 3.25Å; M846-V849 WeakPolarHBondContact O-CG2 3.26Å; M846-V849 PolarHBondContact O-N 3.41Å; M846-L856 HydrophobicContact CB-CD1 4.43Å; M846-L856 HydrophobicContact CE-CD1 3.48Å; M846-L856 VanDerWaalsContact CE-CD1 3.48Å; M846-V858 HydrophobicContact CB-CG2 3.91Å
847	D	94.3	Very high	90.4	Very high	90 Å²	90	46.1 Å²	46.1	48%	0.481	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	130.5	177	-168.3	52.8	0	0	0	110.5	L844 S845 V849 S857 V858	L844-D847 VanDerWaalsContact O-CB 3.32Å; L844-D847 WeakPolarHBondContact O-CB 3.33Å; L844-D847 PolarHBondContact O-N 3.28Å; S845-D847 VanDerWaalsContact C-N 3.35Å; D847-V849 PolarHBondContact O-N 3.06Å; D847-S857 VanDerWaalsContact OD1-CA 3.24Å; D847-S857 WeakPolarHBondContact OD1-CA 3.43Å; D847-V858 HydrophobicContact CB-CB 4.17Å; D847-V858 PolarHBondContact OD1-N 2.84Å
848	G	93.7	Very high	91.2	Very high	47 Å²	47	45.6 Å²	45.6	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	-6.6	-174.3	0	0	0	0	0	115.9	M846 K850 L856	M846-G848 PolarHBondContact O-N 2.95Å; G848-K850 PolarHBondContact O-N 3.05Å; G848-L856 WeakPolarHBondContact CA-O 3.33Å; G848-L856 PolarHBondContact N-O 3.1Å
849	V	93.2	Very high	91.8	Very high	39 Å²	39	49 Å²	49	24%	0.236	28%	0.284	C	S	.	.			trans	-64	132.3	175.2	173.7	0	0	0	0	109.6	K812 M846 D847 L856	K812-V849 HydrophobicContact CD-CG1 4.31Å; K812-V849 HydrophobicContact CG-CG1 4.26Å; M846-V849 VanDerWaalsContact O-CB 3.24Å; M846-V849 WeakPolarHBondContact O-CB 3.25Å; M846-V849 WeakPolarHBondContact O-CG2 3.26Å; M846-V849 PolarHBondContact O-N 3.41Å; D847-V849 PolarHBondContact O-N 3.06Å; V849-L856 WeakPolarHBondContact O-CG 3.47Å; V849-L856 PolarHBondContact O-N 3.05Å
850	K	92.4	Very high	92	Very high	163 Å²	163	49.2 Å²	49.2	71%	0.709	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.3	177.1	-68.6	-175	179.1	-178.2	0	111.4	G848 H854 A855	G848-K850 PolarHBondContact O-N 3.05Å; K850-H854 CarbonylContact C-O 3.29Å; K850-H854 WeakPolarHBondContact CA-O 3.48Å; K850-A855 HydrophobicContact CG-CB 4.45Å
851	I	89.1	Confident	92	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.9	167.5	-62.9	-173.2	0	0	0	107	L805 K808 I809 K812 S853 H854 L856	L805-I851 HydrophobicContact CD1-CG2 4.45Å; L805-I851 HydrophobicContact CD2-CG2 4.32Å; K808-I851 HydrophobicContact CB-CG2 3.72Å; K808-I851 HydrophobicContact CD-CG2 4.1Å; I809-I851 HydrophobicContact CB-CD1 4.18Å; I809-I851 HydrophobicContact CG1-CD1 3.53Å; K812-I851 HydrophobicContact CB-CD1 4.39Å; I851-S853 PolarHBondContact O-N 2.88Å; I851-H854 PolarHBondContact N-O 2.86Å; I851-H854 PolarHBondContact O-N 3.09Å; I851-H854 VanDerWaalsContact O-N 3.1Å; I851-L856 HydrophobicContact CD1-CD1 3.75Å; I851-L856 HydrophobicContact CD1-CD2 4.24Å; I851-L856 HydrophobicContact CD1-CG 4.22Å; I851-L856 HydrophobicContact CG1-CD1 4.24Å; I851-L856 HydrophobicContact CG1-CG 4.34Å
852	E	89.2	Confident	91.7	Very high	118 Å²	118	53.3 Å²	53.3	55%	0.551	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-125.5	-167.4	-53.9	-174.6	160.6	0	0	111.6	L805 K808 H854	L805-E852 HydrophobicContact CD2-CG 4.31Å; K808-E852 HydrophobicContact CD-CG 4.44Å; K808-E852 IonicContact NZ-OE1 3.06Å; K808-E852 PolarHBondContact NZ-OE1 3.44Å; E852-H854 VanDerWaalsContact C-N 3.34Å
853	S	90	Very high	91.3	Very high	103 Å²	103	55.3 Å²	55.3	72%	0.72	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.3	177.5	53.9	0	0	0	0	114.2	I851	I851-S853 PolarHBondContact O-N 2.88Å
854	H	91.4	Very high	90.9	Very high	37 Å²	37	61.7 Å²	61.7	17%	0.171	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133	-171.2	-53.9	81.9	0	0	0	110.5	L796 D798 L805 K850 I851 E852	L796-H854 HydrophobicContact CB-CB 4.46Å; L796-H854 HydrophobicContact CD1-CB 4.35Å; L796-H854 HydrophobicContact CD2-CB 4.02Å; D798-H854 IonicContact OD1-CD2 3.08Å; D798-H854 IonicContact OD2-CD2 3.56Å; D798-H854 PolarHBondContact OD2-CD2 3.28Å; D798-H854 IonicContact OD2-NE2 2.58Å; L805-H854 HydrophobicContact CD1-CB 4.11Å; K850-H854 CarbonylContact C-O 3.29Å; K850-H854 WeakPolarHBondContact CA-O 3.48Å; I851-H854 PolarHBondContact N-O 2.86Å; I851-H854 PolarHBondContact O-N 3.09Å; I851-H854 VanDerWaalsContact O-N 3.1Å; E852-H854 VanDerWaalsContact C-N 3.34Å
855	A	94.7	Very high	90.3	Very high	30 Å²	30	60.3 Å²	60.3	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145.2	167.1	0	0	0	0	0	109.6	S797 K850	S797-A855 PolarHBondContact N-O 3.39Å; S797-A855 PolarHBondContact OG-O 3.12Å; S797-A855 VanDerWaalsContact OG-O 3.09Å; K850-A855 HydrophobicContact CG-CB 4.45Å
856	L	95.7	Very high	89.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.7	172	-62	-176.1	0	0	0	110.8	V794 R795 L796 S797 I809 M846 G848 V849 I851 V858	V794-L856 HydrophobicContact CG1-CD1 4.43Å; V794-L856 HydrophobicContact CG1-CD2 4.11Å; R795-L856 CarbonylContact O-C 3.52Å; R795-L856 WeakPolarHBondContact O-CA 3.49Å; L796-L856 HydrophobicContact CD2-CD2 3.78Å; S797-L856 PolarHBondContact OG-O 2.65Å; I809-L856 HydrophobicContact CD1-CD2 4Å; I809-L856 HydrophobicContact CG1-CD1 4.43Å; I809-L856 HydrophobicContact CG1-CD2 3.97Å; M846-L856 HydrophobicContact CB-CD1 4.43Å; M846-L856 HydrophobicContact CE-CD1 3.48Å; M846-L856 VanDerWaalsContact CE-CD1 3.48Å; G848-L856 WeakPolarHBondContact CA-O 3.33Å; G848-L856 PolarHBondContact N-O 3.1Å; V849-L856 WeakPolarHBondContact O-CG 3.47Å; V849-L856 PolarHBondContact O-N 3.05Å; I851-L856 HydrophobicContact CD1-CD1 3.75Å; I851-L856 HydrophobicContact CD1-CD2 4.24Å; I851-L856 HydrophobicContact CD1-CG 4.22Å; I851-L856 HydrophobicContact CG1-CD1 4.24Å; I851-L856 HydrophobicContact CG1-CG 4.34Å; L856-V858 HydrophobicContact CB-CG2 4.09Å
857	S	95.5	Very high	89.3	Confident	28 Å²	28	66.2 Å²	66.2	20%	0.196	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.8	161.7	171.9	0	0	0	0	107.8	V794 R795 D847	V794-S857 WeakPolarHBondContact CA-O 3.37Å; R795-S857 PolarHBondContact N-O 3.34Å; R795-S857 PolarHBondContact O-N 3.34Å; D847-S857 VanDerWaalsContact OD1-CA 3.24Å; D847-S857 WeakPolarHBondContact OD1-CA 3.43Å
858	V	94.5	Very high	88.1	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.024	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.6	-175.7	-172.4	0	0	0	0	109.7	C792 C793 V794 L844 M846 D847 L856	C792-V858 HydrophobicContact CB-CG1 3.97Å; C793-V858 WeakPolarHBondContact O-CA 3.08Å; V794-V858 HydrophobicContact CG1-CG2 4.18Å; V794-V858 HydrophobicContact CG2-CG1 4.14Å; V794-V858 HydrophobicContact CG2-CG2 4.13Å; L844-V858 HydrophobicContact CD2-CG1 4.45Å; L844-V858 WeakPolarHBondContact CD2-O 3.4Å; M846-V858 HydrophobicContact CB-CG2 3.91Å; D847-V858 HydrophobicContact CB-CB 4.17Å; D847-V858 PolarHBondContact OD1-N 2.84Å; L856-V858 HydrophobicContact CB-CG2 4.09Å
859	E	94.1	Very high	87	Confident	107 Å²	107	63.5 Å²	63.5	50%	0.5	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.2	-178.8	-64.5	178.2	170.4	0	0	109.9	C792 C793	C792-E859 CarbonylContact C-O 3.59Å; C792-E859 VanDerWaalsContact CA-O 3.24Å; C792-E859 WeakPolarHBondContact CA-O 3.42Å; C792-E859 WeakPolarHBondContact CB-O 3.35Å; C793-E859 PolarHBondContact N-O 3.23Å; C793-E859 PolarHBondContact O-N 2.86Å
860	L	91.4	Very high	86.2	Confident	20 Å²	20	63.7 Å²	63.7	11%	0.105	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	139	169.6	-60.5	179.6	0	0	0	109.2	P787 A840 L841 L844 T862 W865	P787-L860 HydrophobicContact CG-CB 4.42Å; P787-L860 HydrophobicContact CG-CD1 4.01Å; P787-L860 HydrophobicContact CG-CD2 3.94Å; P787-L860 HydrophobicContact CG-CG 4.32Å; A840-L860 HydrophobicContact CB-CD2 4.34Å; L841-L860 HydrophobicContact CD2-CD1 3.95Å; L844-L860 HydrophobicContact CD1-CD1 4.05Å; L844-L860 HydrophobicContact CD1-CD2 3.8Å; L844-L860 HydrophobicContact CD1-CG 3.79Å; L844-L860 HydrophobicContact CD2-CD2 3.81Å; L844-L860 HydrophobicContact CD2-CG 3.91Å; L844-L860 HydrophobicContact CG-CD2 3.73Å; L844-L860 HydrophobicContact CG-CG 4.11Å; L860-T862 VanDerWaalsContact C-N 3.28Å; L860-T862 PolarHBondContact O-N 3.11Å; L860-W865 VanDerWaalsContact CD1-CD1 3.46Å
861	R	87.7	Confident	85.2	Confident	106 Å²	106	61.8 Å²	61.8	40%	0.4	33%	0.331	S	S	.	.	S	Bend	trans	-60.5	-42.8	176	174.1	-179.6	176.6	-161.9	-8.5	111	F81 D789 A791 L831	F81-R861 VanDerWaalsContact O-CZ 3.27Å; F81-R861 PolarHBondContact O-NH1 3.48Å; F81-R861 PolarHBondContact O-NH2 2.75Å; D789-R861 WeakPolarHBondContact OD2-CB 3.34Å; D789-R861 WeakPolarHBondContact OD2-CD 3.35Å; D789-R861 WeakPolarHBondContact OD2-CG 3.13Å; A791-R861 HydrophobicContact CB-CB 4.04Å; A791-R861 PolarHBondContact O-N 3.01Å; L831-R861 HydrophobicContact CD1-CB 4.16Å; L831-R861 HydrophobicContact CD1-CG 4.37Å
862	T	82.2	Confident	84.1	Confident	37 Å²	37	63.5 Å²	63.5	23%	0.227	35%	0.346	C	S	.	.	S	Bend	trans	-102.3	85.2	173.9	-55.5	0	0	0	0	108.9	D789 L860 Q864 W865	D789-T862 PolarHBondContact OD2-N 2.68Å; D789-T862 PolarHBondContact OD2-OG1 3.17Å; L860-T862 VanDerWaalsContact C-N 3.28Å; L860-T862 PolarHBondContact O-N 3.11Å; T862-Q864 VanDerWaalsContact C-N 3.33Å; T862-Q864 PolarHBondContact O-N 2.89Å; T862-W865 HydrophobicContact CG2-CB 3.87Å; T862-W865 VanDerWaalsContact O-CB 3.28Å; T862-W865 WeakPolarHBondContact O-CB 3.49Å; T862-W865 PolarHBondContact O-N 3.07Å
863	A	82.6	Confident	83.3	Confident	83 Å²	83	57.9 Å²	57.9	69%	0.686	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.5	-176.2	0	0	0	0	0	113.3	W865	A863-W865 VanDerWaalsContact C-N 3.28Å; A863-W865 PolarHBondContact O-N 2.98Å
864	Q	82.4	Confident	82.4	Confident	134 Å²	134	55.7 Å²	55.7	63%	0.626	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	28.3	179	-64.2	177.4	-17.2	0	0	113	T862 E866 Q867 V868	T862-Q864 VanDerWaalsContact C-N 3.33Å; T862-Q864 PolarHBondContact O-N 2.89Å; Q864-E866 PolarHBondContact O-N 3.31Å; Q864-E866 VanDerWaalsContact O-N 3.16Å; Q864-Q867 PolarHBondContact O-N 3.32Å; Q864-Q867 VanDerWaalsContact O-N 3.14Å; Q864-V868 PolarHBondContact O-N 2.98Å
865	W	79.3	Confident	81.1	Confident	28 Å²	28	56.9 Å²	56.9	11%	0.106	31%	0.306	C	S	.	.	H	α-helix	trans	-55.4	-36.2	-173	61.7	-87	0	0	0	113.6	V782 S783 G786 P787 L841 L860 T862 A863 Q867 V868 A869	V782-W865 WeakPolarHBondContact O-CZ3 3.39Å; S783-W865 VanDerWaalsContact O-CH2 3.31Å; S783-W865 WeakPolarHBondContact O-CH2 3.28Å; G786-W865 VanDerWaalsContact C-CE3 3.4Å; G786-W865 VanDerWaalsContact N-CH2 3.33Å; G786-W865 VanDerWaalsContact O-CE3 3.24Å; G786-W865 WeakPolarHBondContact O-CZ3 3.48Å; P787-W865 HydrophobicContact CB-CB 3.6Å; P787-W865 HydrophobicContact CB-CD2 4.42Å; P787-W865 HydrophobicContact CB-CG 3.73Å; L841-W865 HydrophobicContact CD2-CZ2 4.23Å; L860-W865 VanDerWaalsContact CD1-CD1 3.46Å; T862-W865 HydrophobicContact CG2-CB 3.87Å; T862-W865 VanDerWaalsContact O-CB 3.28Å; T862-W865 WeakPolarHBondContact O-CB 3.49Å; T862-W865 PolarHBondContact O-N 3.07Å; A863-W865 VanDerWaalsContact C-N 3.28Å; A863-W865 PolarHBondContact O-N 2.98Å; W865-Q867 PolarHBondContact O-N 3.09Å; W865-V868 PolarHBondContact O-N 2.73Å; W865-A869 WeakPolarHBondContact O-CB 3.4Å; W865-A869 PolarHBondContact O-N 2.99Å
866	E	81.8	Confident	79.8	Confident	84 Å²	84	55.6 Å²	55.6	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-44.2	-179.4	-174.2	179.5	-167.2	0	0	111.2	S783 Q864 V868 A869 L870	S783-E866 VanDerWaalsContact CB-OE1 3.29Å; S783-E866 WeakPolarHBondContact CB-OE1 3.39Å; S783-E866 PolarHBondContact OG-OE1 3.15Å; Q864-E866 PolarHBondContact O-N 3.31Å; Q864-E866 VanDerWaalsContact O-N 3.16Å; E866-V868 VanDerWaalsContact C-N 3.33Å; E866-V868 PolarHBondContact O-N 2.94Å; E866-A869 PolarHBondContact O-N 2.86Å; E866-L870 HydrophobicContact CG-CD1 3.89Å; E866-L870 HydrophobicContact CG-CG 4.28Å; E866-L870 WeakPolarHBondContact O-CB 3.38Å; E866-L870 WeakPolarHBondContact O-CG 3.15Å; E866-L870 PolarHBondContact O-N 3.27Å
867	Q	80.1	Confident	78.6	Confident	119 Å²	119	55.6 Å²	55.6	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-62.3	-42.2	177.6	-66	175.6	-0.6	0	0	111.4	Q864 W865 L871	Q864-Q867 PolarHBondContact O-N 3.32Å; Q864-Q867 VanDerWaalsContact O-N 3.14Å; W865-Q867 PolarHBondContact O-N 3.09Å; Q867-L871 VanDerWaalsContact O-CG 3.31Å; Q867-L871 WeakPolarHBondContact O-CG 3.42Å; Q867-L871 PolarHBondContact O-N 3.5Å
868	V	70.2	Confident	77.1	Confident	75 Å²	75	59.6 Å²	59.6	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-44.7	177.5	178.3	0	0	0	0	110.9	Q864 W865 E866 L871 A872	Q864-V868 PolarHBondContact O-N 2.98Å; W865-V868 PolarHBondContact O-N 2.73Å; E866-V868 VanDerWaalsContact C-N 3.33Å; E866-V868 PolarHBondContact O-N 2.94Å; V868-L871 PolarHBondContact O-N 3.49Å; V868-A872 PolarHBondContact O-N 3.28Å
869	A	70.8	Confident	75.4	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-67.4	-41.1	-179.9	0	0	0	0	0	111.9	V782 W865 E866 A872 M873	V782-A869 HydrophobicContact CG1-CB 3.48Å; V782-A869 VanDerWaalsContact CG1-CB 3.48Å; W865-A869 WeakPolarHBondContact O-CB 3.4Å; W865-A869 PolarHBondContact O-N 2.99Å; E866-A869 PolarHBondContact O-N 2.86Å; A869-A872 PolarHBondContact O-N 3.02Å; A869-M873 WeakPolarHBondContact O-CB 3.34Å; A869-M873 PolarHBondContact O-N 3.25Å
870	L	76	Confident	73.9	Confident	43 Å²	43	55.4 Å²	55.4	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-38.8	175.8	-71.9	173.3	0	0	0	112	R779 V782 E866 M873 E874	R779-L870 HydrophobicContact CB-CD2 4.36Å; V782-L870 HydrophobicContact CG1-CD2 4.44Å; E866-L870 HydrophobicContact CG-CD1 3.89Å; E866-L870 HydrophobicContact CG-CG 4.28Å; E866-L870 WeakPolarHBondContact O-CB 3.38Å; E866-L870 WeakPolarHBondContact O-CG 3.15Å; E866-L870 PolarHBondContact O-N 3.27Å; L870-M873 HydrophobicContact CB-CE 4.49Å; L870-M873 HydrophobicContact CD2-CE 3.5Å; L870-M873 VanDerWaalsContact CD2-CE 3.5Å; L870-M873 HydrophobicContact CD2-SD 4.14Å; L870-M873 PolarHBondContact O-N 3.39Å; L870-E874 WeakPolarHBondContact O-CG 3.31Å; L870-E874 PolarHBondContact O-N 2.9Å
871	L	71.1	Confident	72.2	Confident	124 Å²	124	59.4 Å²	59.4	65%	0.649	31%	0.313	S	S	*	.	H	α-helix	trans	-62.4	-46.3	175	-76	169	0	0	0	112.1	Q867 V868 M873 E874 D875	Q867-L871 VanDerWaalsContact O-CG 3.31Å; Q867-L871 WeakPolarHBondContact O-CG 3.42Å; Q867-L871 PolarHBondContact O-N 3.5Å; V868-L871 PolarHBondContact O-N 3.49Å; L871-M873 VanDerWaalsContact C-N 3.27Å; L871-M873 PolarHBondContact O-N 3Å; L871-E874 PolarHBondContact O-N 3.27Å; L871-D875 PolarHBondContact O-N 3.07Å
872	A	65.3	Low	70.4	Confident	49 Å²	49	55.6 Å²	55.6	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-36.6	176.3	0	0	0	0	0	112	V868 A869 F876	V868-A872 PolarHBondContact O-N 3.28Å; A869-A872 PolarHBondContact O-N 3.02Å; A872-F876 PolarHBondContact O-N 3.09Å
873	M	72.9	Confident	68.9	Low	1 Å²	1	56.5 Å²	56.5	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-69.1	-43	175.4	176.7	-156.6	69	0	0	112.5	L778 R779 V782 A869 L870 L871 D875 F876 L877	L778-M873 HydrophobicContact CB-SD 4.39Å; L778-M873 HydrophobicContact CD2-CG 3.62Å; L778-M873 HydrophobicContact CD2-SD 4.19Å; L778-M873 HydrophobicContact CG-CG 3.89Å; L778-M873 HydrophobicContact CG-SD 3.9Å; R779-M873 HydrophobicContact CB-CE 4.3Å; R779-M873 HydrophobicContact CB-SD 4.27Å; R779-M873 HydrophobicContact CG-CE 3.52Å; R779-M873 HydrophobicContact CG-SD 3.89Å; V782-M873 HydrophobicContact CB-SD 4.37Å; V782-M873 HydrophobicContact CG2-CG 4.4Å; V782-M873 HydrophobicContact CG2-SD 4.09Å; A869-M873 WeakPolarHBondContact O-CB 3.34Å; A869-M873 PolarHBondContact O-N 3.25Å; L870-M873 HydrophobicContact CB-CE 4.49Å; L870-M873 HydrophobicContact CD2-CE 3.5Å; L870-M873 VanDerWaalsContact CD2-CE 3.5Å; L870-M873 HydrophobicContact CD2-SD 4.14Å; L870-M873 PolarHBondContact O-N 3.39Å; L871-M873 VanDerWaalsContact C-N 3.27Å; L871-M873 PolarHBondContact O-N 3Å; M873-D875 VanDerWaalsContact C-N 3.28Å; M873-D875 PolarHBondContact O-N 3.24Å; M873-F876 CarbonylContact O-C 3.6Å; M873-F876 WeakPolarHBondContact O-CA 3.34Å; M873-F876 WeakPolarHBondContact O-CB 3.46Å; M873-F876 PolarHBondContact O-N 3.36Å; M873-L877 HydrophobicContact CE-CD1 3.87Å; M873-L877 HydrophobicContact CG-CD1 3.89Å; M873-L877 HydrophobicContact CG-CG 4.13Å; M873-L877 WeakPolarHBondContact O-CG 3.43Å; M873-L877 PolarHBondContact O-N 3.23Å; M873-L877 HydrophobicContact SD-CD1 4.06Å
874	E	71.8	Confident	67.4	Low	57 Å²	57	56.9 Å²	56.9	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-39.6	177.8	-74.8	-59.9	151.8	0	0	111.5	R779 L870 L871 F876 L877 Q878	R779-E874 IonicContact CZ-OE1 3.15Å; R779-E874 IonicContact NE-OE1 3.05Å; R779-E874 PolarHBondContact NE-OE1 2.83Å; R779-E874 IonicContact NH2-OE1 3.35Å; R779-E874 PolarHBondContact NH2-OE1 2.87Å; R779-E874 IonicContact NH2-OE2 2.92Å; L870-E874 WeakPolarHBondContact O-CG 3.31Å; L870-E874 PolarHBondContact O-N 2.9Å; L871-E874 PolarHBondContact O-N 3.27Å; E874-F876 PolarHBondContact O-N 3.23Å; E874-L877 PolarHBondContact O-N 2.97Å; E874-Q878 WeakPolarHBondContact O-CG 3.33Å; E874-Q878 PolarHBondContact O-N 2.95Å
875	D	62.4	Low	66.3	Low	62 Å²	62	53.3 Å²	53.3	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-36.4	172.7	-96	-19.4	0	0	0	112.9	R423 L871 M873	R423-D875 IonicContact CZ-OD1 2.87Å; R423-D875 IonicContact CZ-OD2 2.96Å; R423-D875 PolarHBondContact NH1-O 3.01Å; R423-D875 IonicContact NH1-OD1 3.78Å; R423-D875 PolarHBondContact NH1-OD1 3.04Å; R423-D875 IonicContact NH1-OD2 3.6Å; R423-D875 IonicContact NH2-OD1 3.03Å; R423-D875 PolarHBondContact NH2-OD1 3.26Å; R423-D875 IonicContact NH2-OD2 3.48Å; R423-D875 PolarHBondContact NH2-OD2 3.36Å; L871-D875 PolarHBondContact O-N 3.07Å; M873-D875 VanDerWaalsContact C-N 3.28Å; M873-D875 PolarHBondContact O-N 3.24Å
876	F	67.6	Low	65.5	Low	2 Å²	2	54.7 Å²	54.7	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-73.4	-46.4	173.6	167.5	-107.5	0	0	0	112.3	V408 L425 I427 C430 F431 F774 L778 A872 M873 E874 Q878 G879 L880	V408-F876 HydrophobicContact CG1-CZ 3.95Å; L425-F876 HydrophobicContact CB-CD2 4.04Å; L425-F876 HydrophobicContact CD2-CB 4.33Å; L425-F876 HydrophobicContact CD2-CD2 4.31Å; L425-F876 WeakPolarHBondContact O-CE2 3.19Å; I427-F876 HydrophobicContact CG1-CE2 4.37Å; I427-F876 HydrophobicContact CG1-CZ 3.79Å; C430-F876 HydrophobicContact CB-CB 4.34Å; C430-F876 HydrophobicContact CB-CD2 3.98Å; C430-F876 HydrophobicContact CB-CG 4.24Å; C430-F876 WeakPolarHBondContact SG-CD2 3.44Å; F431-F876 HydrophobicContact CE2-CD1 4.06Å; F431-F876 AromaticContact CE2-CE1 3.84Å; F431-F876 HydrophobicContact CE2-CE1 3.84Å; F431-F876 HydrophobicContact CE2-CZ 4.18Å; F431-F876 HydrophobicContact CZ-CD1 4Å; F431-F876 HydrophobicContact CZ-CE1 4.2Å; F774-F876 AromaticContact CE1-CE1 3.92Å; F774-F876 HydrophobicContact CE1-CE1 3.92Å; F774-F876 HydrophobicContact CZ-CE1 4.31Å; L778-F876 HydrophobicContact CD2-CD1 3.83Å; L778-F876 HydrophobicContact CD2-CE1 3.82Å; A872-F876 PolarHBondContact O-N 3.09Å; M873-F876 CarbonylContact O-C 3.6Å; M873-F876 WeakPolarHBondContact O-CA 3.34Å; M873-F876 WeakPolarHBondContact O-CB 3.46Å; M873-F876 PolarHBondContact O-N 3.36Å; E874-F876 PolarHBondContact O-N 3.23Å; F876-Q878 VanDerWaalsContact C-N 3.29Å; F876-Q878 PolarHBondContact O-N 3.43Å; F876-G879 WeakPolarHBondContact O-CA 3.29Å; F876-G879 PolarHBondContact O-N 3.2Å; F876-L880 HydrophobicContact CE1-CD1 4.16Å; F876-L880 HydrophobicContact CZ-CD1 4.37Å
877	L	70.2	Confident	64.6	Low	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-28.9	-178	-72.1	177.2	0	0	0	113.4	F774 R775 L778 M873 E874 G879 L880	F774-L877 HydrophobicContact CD1-CD2 4.27Å; F774-L877 HydrophobicContact CE1-CD2 4.22Å; R775-L877 HydrophobicContact CB-CD1 4.42Å; R775-L877 HydrophobicContact CG-CD1 4.01Å; R775-L877 HydrophobicContact CG-CD2 3.75Å; R775-L877 HydrophobicContact CG-CG 4.31Å; R775-L877 PolarHBondContact NH2-O 2.73Å; L778-L877 HydrophobicContact CD2-CD2 3.7Å; L778-L877 HydrophobicContact CD2-CG 4.13Å; M873-L877 HydrophobicContact CE-CD1 3.87Å; M873-L877 HydrophobicContact CG-CD1 3.89Å; M873-L877 HydrophobicContact CG-CG 4.13Å; M873-L877 WeakPolarHBondContact O-CG 3.43Å; M873-L877 PolarHBondContact O-N 3.23Å; M873-L877 HydrophobicContact SD-CD1 4.06Å; E874-L877 PolarHBondContact O-N 2.97Å; L877-G879 PolarHBondContact O-N 2.91Å; L877-L880 HydrophobicContact CD2-CD1 3.88Å; L877-L880 PolarHBondContact O-N 3.01Å
878	Q	64.5	Low	63.9	Low	112 Å²	112	55.6 Å²	55.6	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-31.4	171.5	-75.1	179	22.7	0	0	111.7	E874 F876 L880	E874-Q878 WeakPolarHBondContact O-CG 3.33Å; E874-Q878 PolarHBondContact O-N 2.95Å; F876-Q878 VanDerWaalsContact C-N 3.29Å; F876-Q878 PolarHBondContact O-N 3.43Å; Q878-L880 VanDerWaalsContact C-N 3.29Å; Q878-L880 PolarHBondContact O-N 3.46Å
879	G	58.4	Low	63.8	Low	1 Å²	1	52.2 Å²	52.2	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-20.7	176.5	0	0	0	0	0	115.6	F876 L877 N881	F876-G879 WeakPolarHBondContact O-CA 3.29Å; F876-G879 PolarHBondContact O-N 3.2Å; L877-G879 PolarHBondContact O-N 2.91Å; G879-N881 VanDerWaalsContact C-N 3.31Å; G879-N881 PolarHBondContact O-N 3.41Å
880	L	62.3	Low	63.7	Low	22 Å²	22	54.1 Å²	54.1	12%	0.115	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10	-178.8	-63.3	175.1	0	0	0	113.9	V408 V771 F774 F876 L877 Q878 V882	V408-L880 HydrophobicContact CG1-CD1 4.2Å; V408-L880 HydrophobicContact CG1-CD2 3.64Å; V771-L880 HydrophobicContact CG1-CB 4.3Å; F774-L880 HydrophobicContact CD1-CD1 3.89Å; F774-L880 HydrophobicContact CE1-CD1 3.84Å; F876-L880 HydrophobicContact CE1-CD1 4.16Å; F876-L880 HydrophobicContact CZ-CD1 4.37Å; L877-L880 HydrophobicContact CD2-CD1 3.88Å; L877-L880 PolarHBondContact O-N 3.01Å; Q878-L880 VanDerWaalsContact C-N 3.29Å; Q878-L880 PolarHBondContact O-N 3.46Å; L880-V882 PolarHBondContact O-N 3.4Å
881	N	56.6	Low	63.5	Low	104 Å²	104	54.5 Å²	54.5	56%	0.556	30%	0.301	S	S	*	.			trans	-74.6	18.3	-173	-88.2	-17.9	0	0	0	115.8	R775 G879 G883	R775-N881 PolarHBondContact NH2-ND2 3.18Å; R775-N881 VanDerWaalsContact NH2-ND2 3.14Å; R775-N881 PolarHBondContact NH2-OD1 3.11Å; G879-N881 VanDerWaalsContact C-N 3.31Å; G879-N881 PolarHBondContact O-N 3.41Å; N881-G883 PolarHBondContact O-N 2.54Å; N881-G883 VanDerWaalsContact O-N 3.13Å
882	V	50.1	Low	63.4	Low	27 Å²	27	48.7 Å²	48.7	16%	0.164	27%	0.271	C	S	.	.			trans	-91.4	75.5	-175.7	-158	0	0	0	0	110.5	R411 L880 F885	R411-V882 HydrophobicContact CB-CB 4.29Å; R411-V882 HydrophobicContact CB-CG2 4.27Å; R411-V882 PolarHBondContact NH1-O 3.44Å; L880-V882 PolarHBondContact O-N 3.4Å; V882-F885 HydrophobicContact CG1-CD2 4.4Å
883	G	49.7	Very low	63.4	Low	56 Å²	56	46.4 Å²	46.4	58%	0.577	25%	0.252	S	S	*	.			trans	-111.3	7.7	-175.7	0	0	0	0	0	116	N881	N881-G883 PolarHBondContact O-N 2.54Å; N881-G883 VanDerWaalsContact O-N 3.13Å
884	S	52.2	Low	63.3	Low	90 Å²	90	48.3 Å²	48.3	63%	0.629	26%	0.264	S	S	*	.	S	Bend	trans	-104.2	7.2	-165.8	60.9	0	0	0	0	116.6
885	F	58.6	Low	63.1	Low	60 Å²	60	49.9 Å²	49.9	26%	0.263	27%	0.267	S	S	.	.			trans	-125.4	7.4	-170.4	-61.4	-66.2	0	0	0	115.2	Q197 V882 E887 E888 E889	Q197-F885 VanDerWaalsContact CD-CD1 3.48Å; Q197-F885 VanDerWaalsContact CD-CG 3.45Å; Q197-F885 HydrophobicContact CG-CD1 4.43Å; Q197-F885 VanDerWaalsContact NE2-CG 3.35Å; V882-F885 HydrophobicContact CG1-CD2 4.4Å; F885-E887 VanDerWaalsContact C-N 3.32Å; F885-E887 PolarHBondContact O-N 3.1Å; F885-E888 PolarHBondContact O-N 2.84Å; F885-E889 WeakPolarHBondContact O-CG 3.34Å; F885-E889 PolarHBondContact O-N 3.37Å
886	E	62.9	Low	63.3	Low	56 Å²	56	47.4 Å²	47.4	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-36.9	-175.1	-57.2	-169.1	155.7	0	0	111.8	R411 H566 E888 E889 I890	R411-E886 IonicContact CZ-OE1 2.9Å; R411-E886 IonicContact NH1-OE1 3.59Å; R411-E886 PolarHBondContact NH1-OE1 2.88Å; R411-E886 VanDerWaalsContact NH1-OE1 3.1Å; R411-E886 IonicContact NH2-OE1 3.19Å; R411-E886 PolarHBondContact NH2-OE1 3.07Å; R411-E886 VanDerWaalsContact NH2-OE1 3.16Å; H566-E886 IonicContact CE1-OE1 3.76Å; H566-E886 PolarHBondContact CE1-OE1 3.43Å; H566-E886 IonicContact CE1-OE2 2.87Å; H566-E886 PolarHBondContact CE1-OE2 3.07Å; H566-E886 IonicContact NE2-OE2 3.8Å; E886-E888 PolarHBondContact O-N 2.94Å; E886-E889 PolarHBondContact O-N 3.2Å; E886-I890 VanDerWaalsContact O-CG1 3.27Å; E886-I890 WeakPolarHBondContact O-CG1 3.48Å; E886-I890 PolarHBondContact O-N 2.75Å
887	E	62	Low	62.8	Low	170 Å²	170	50.5 Å²	50.5	79%	0.794	27%	0.266	S	S	*	.	H	α-helix	trans	-62	-42.4	177.4	-68.1	-176.7	175.3	0	0	113	F885 E889 I890 D891	F885-E887 VanDerWaalsContact C-N 3.32Å; F885-E887 PolarHBondContact O-N 3.1Å; E887-E889 VanDerWaalsContact C-N 3.31Å; E887-E889 PolarHBondContact O-N 3.3Å; E887-I890 PolarHBondContact O-N 3.28Å; E887-D891 VanDerWaalsContact O-CB 3.31Å; E887-D891 WeakPolarHBondContact O-CB 3.26Å; E887-D891 PolarHBondContact O-N 2.88Å
888	E	66	Low	61.9	Low	52 Å²	52	58 Å²	58	24%	0.243	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-35.9	177.4	-69.2	-169.1	163.7	0	0	111.8	Q197 F885 E886 G892	Q197-E888 PolarHBondContact NE2-OE2 3.32Å; F885-E888 PolarHBondContact O-N 2.84Å; E886-E888 PolarHBondContact O-N 2.94Å; E888-G892 PolarHBondContact O-N 2.74Å; E888-G892 VanDerWaalsContact O-N 3.11Å
889	E	68.5	Low	60.8	Low	5 Å²	5	57.8 Å²	57.8	2%	0.023	30%	0.301	C	S	.	.	H	α-helix	trans	-68.5	-41.5	177.4	-65.7	-176.7	179.1	0	0	112	A190 R194 P565 F885 E886 E887 A893	A190-E889 HydrophobicContact CB-CB 4.1Å; A190-E889 HydrophobicContact CB-CG 4.35Å; R194-E889 WeakPolarHBondContact CG-OE1 3.41Å; R194-E889 IonicContact CZ-OE1 2.78Å; R194-E889 IonicContact NH1-OE1 3.31Å; R194-E889 PolarHBondContact NH1-OE1 3.01Å; R194-E889 IonicContact NH1-OE2 3.92Å; R194-E889 PolarHBondContact NH1-OE2 3.43Å; P565-E889 HydrophobicContact CB-CB 4.34Å; P565-E889 VanDerWaalsContact CB-OE2 3.27Å; P565-E889 WeakPolarHBondContact CB-OE2 3.33Å; P565-E889 HydrophobicContact CG-CB 3.95Å; F885-E889 WeakPolarHBondContact O-CG 3.34Å; F885-E889 PolarHBondContact O-N 3.37Å; E886-E889 PolarHBondContact O-N 3.2Å; E887-E889 VanDerWaalsContact C-N 3.31Å; E887-E889 PolarHBondContact O-N 3.3Å; E889-A893 PolarHBondContact O-N 3.47Å
890	I	68.6	Low	60.1	Low	44 Å²	44	60.3 Å²	60.3	23%	0.226	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-45.3	177.3	-63.9	168.4	0	0	0	110.8	E562 P565 E886 E887 G892 A893 T894	E562-I890 HydrophobicContact CG-CG2 4.41Å; P565-I890 HydrophobicContact CG-CD1 4.32Å; P565-I890 HydrophobicContact CG-CG1 3.48Å; P565-I890 VanDerWaalsContact CG-CG1 3.48Å; E886-I890 VanDerWaalsContact O-CG1 3.27Å; E886-I890 WeakPolarHBondContact O-CG1 3.48Å; E886-I890 PolarHBondContact O-N 2.75Å; E887-I890 PolarHBondContact O-N 3.28Å; I890-G892 PolarHBondContact O-N 3.38Å; I890-A893 PolarHBondContact O-N 2.94Å; I890-T894 WeakPolarHBondContact O-CB 3.43Å; I890-T894 PolarHBondContact O-N 2.87Å; I890-T894 PolarHBondContact O-OG1 3Å
891	D	72.2	Confident	58.8	Low	51 Å²	51	62.7 Å²	62.7	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-45.1	179.4	178.7	42.7	0	0	0	111	E887 A893 T894 R895	E887-D891 VanDerWaalsContact O-CB 3.31Å; E887-D891 WeakPolarHBondContact O-CB 3.26Å; E887-D891 PolarHBondContact O-N 2.88Å; D891-A893 PolarHBondContact O-N 3.17Å; D891-T894 PolarHBondContact O-N 3.3Å; D891-R895 VanDerWaalsContact CG-NE 3.28Å; D891-R895 WeakPolarHBondContact O-CB 3.44Å; D891-R895 WeakPolarHBondContact O-CG 3.28Å; D891-R895 PolarHBondContact O-N 3.46Å; D891-R895 IonicContact OD1-CZ 3.28Å; D891-R895 IonicContact OD1-NE 3.19Å; D891-R895 PolarHBondContact OD1-NE 3.47Å; D891-R895 IonicContact OD1-NH2 3.76Å; D891-R895 PolarHBondContact OD1-NH2 2.95Å; D891-R895 IonicContact OD2-CZ 2.85Å; D891-R895 IonicContact OD2-NE 2.69Å; D891-R895 PolarHBondContact OD2-NE 2.78Å; D891-R895 VanDerWaalsContact OD2-NE 3.09Å; D891-R895 IonicContact OD2-NH1 3.78Å; D891-R895 IonicContact OD2-NH2 3.47Å; D891-R895 PolarHBondContact OD2-NH2 3.41Å
892	G	68.2	Low	57.9	Low	2 Å²	2	62.3 Å²	62.3	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-59.7	-46	175.3	0	0	0	0	0	113.2	E888 I890 T894 R895 L896	E888-G892 PolarHBondContact O-N 2.74Å; E888-G892 VanDerWaalsContact O-N 3.11Å; I890-G892 PolarHBondContact O-N 3.38Å; G892-T894 VanDerWaalsContact C-N 3.31Å; G892-T894 PolarHBondContact O-N 3.39Å; G892-R895 PolarHBondContact O-N 2.97Å; G892-L896 PolarHBondContact O-N 3.23Å
893	A	66.3	Low	57.2	Low	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-38	177.5	0	0	0	0	0	112.4	I564 E889 I890 D891	I564-A893 HydrophobicContact CG2-CB 4.47Å; E889-A893 PolarHBondContact O-N 3.47Å; I890-A893 PolarHBondContact O-N 2.94Å; D891-A893 PolarHBondContact O-N 3.17Å
894	T	70.6	Confident	56.4	Low	41 Å²	41	67.7 Å²	67.7	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-70.3	-46.2	178.7	-55.5	0	0	0	0	111.6	I890 D891 G892 L896 R897 M898	I890-T894 WeakPolarHBondContact O-CB 3.43Å; I890-T894 PolarHBondContact O-N 2.87Å; I890-T894 PolarHBondContact O-OG1 3Å; D891-T894 PolarHBondContact O-N 3.3Å; G892-T894 VanDerWaalsContact C-N 3.31Å; G892-T894 PolarHBondContact O-N 3.39Å; T894-L896 PolarHBondContact O-N 2.87Å; T894-R897 WeakPolarHBondContact O-CB 3.29Å; T894-R897 PolarHBondContact O-N 3Å; T894-M898 PolarHBondContact O-N 3.44Å
895	R	67.7	Low	55.7	Low	91 Å²	91	66.1 Å²	66.1	34%	0.343	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-41.4	179.4	-75	179.6	-169.2	-176	3.3	113.1	S231 D891 G892 R897 M898 E899	S231-R895 WeakPolarHBondContact O-CD 3.41Å; D891-R895 VanDerWaalsContact CG-NE 3.28Å; D891-R895 WeakPolarHBondContact O-CB 3.44Å; D891-R895 WeakPolarHBondContact O-CG 3.28Å; D891-R895 PolarHBondContact O-N 3.46Å; D891-R895 IonicContact OD1-CZ 3.28Å; D891-R895 IonicContact OD1-NE 3.19Å; D891-R895 PolarHBondContact OD1-NE 3.47Å; D891-R895 IonicContact OD1-NH2 3.76Å; D891-R895 PolarHBondContact OD1-NH2 2.95Å; D891-R895 IonicContact OD2-CZ 2.85Å; D891-R895 IonicContact OD2-NE 2.69Å; D891-R895 PolarHBondContact OD2-NE 2.78Å; D891-R895 VanDerWaalsContact OD2-NE 3.09Å; D891-R895 IonicContact OD2-NH1 3.78Å; D891-R895 IonicContact OD2-NH2 3.47Å; D891-R895 PolarHBondContact OD2-NH2 3.41Å; G892-R895 PolarHBondContact O-N 2.97Å; R895-R897 PolarHBondContact O-N 3.47Å; R895-R897 VanDerWaalsContact O-N 3.17Å; R895-M898 WeakPolarHBondContact O-CA 3.3Å; R895-M898 WeakPolarHBondContact O-CB 3.48Å; R895-M898 PolarHBondContact O-N 2.85Å; R895-E899 PolarHBondContact O-N 3.39Å
896	L	66	Low	54.6	Low	10 Å²	10	65.8 Å²	65.8	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-28	178.3	-79.4	170.9	0	0	0	113.3	L185 A189 S227 V228 S231 G892 T894 A900	L185-L896 VanDerWaalsContact C-CD1 3.43Å; L185-L896 HydrophobicContact CB-CD1 3.92Å; L185-L896 WeakPolarHBondContact O-CD1 3.09Å; A189-L896 HydrophobicContact CB-CD1 3.59Å; S227-L896 WeakPolarHBondContact O-CD2 3.14Å; V228-L896 HydrophobicContact CG2-CD1 3.86Å; S231-L896 VanDerWaalsContact CB-CG 3.48Å; S231-L896 WeakPolarHBondContact OG-CG 3.3Å; G892-L896 PolarHBondContact O-N 3.23Å; T894-L896 PolarHBondContact O-N 2.87Å; L896-A900 WeakPolarHBondContact O-CB 3.39Å; L896-A900 PolarHBondContact O-N 2.64Å
897	R	57.5	Low	53.2	Low	66 Å²	66	70.5 Å²	70.5	25%	0.249	38%	0.38	C	S	.	.	H	α-helix	trans	-75.2	-35.5	173	179.5	173.4	151	-148.9	-1.4	112.6	N537 G540 C541 T894 R895 E899	N537-R897 PolarHBondContact ND2-NE 2.99Å; N537-R897 VanDerWaalsContact ND2-NE 3.14Å; N537-R897 PolarHBondContact O-NH2 3.08Å; N537-R897 PolarHBondContact OD1-NE 3.43Å; N537-R897 PolarHBondContact OD1-NH1 2.8Å; N537-R897 PolarHBondContact OD1-NH2 3.04Å; N537-R897 VanDerWaalsContact OD1-NH2 3.15Å; G540-R897 PolarHBondContact O-NH2 3.35Å; C541-R897 VanDerWaalsContact CB-NH1 3.28Å; C541-R897 PolarHBondContact SG-NH1 3.04Å; T894-R897 WeakPolarHBondContact O-CB 3.29Å; T894-R897 PolarHBondContact O-N 3Å; R895-R897 PolarHBondContact O-N 3.47Å; R895-R897 VanDerWaalsContact O-N 3.17Å; R897-E899 VanDerWaalsContact C-N 3.32Å
898	M	50.9	Low	52	Low	157 Å²	157	65 Å²	65	77%	0.773	36%	0.356	S	S	*	.	H	α-helix	trans	-67.6	-35.3	176.2	-63.8	-177.6	72.6	0	0	111.7	T894 R895	T894-M898 PolarHBondContact O-N 3.44Å; R895-M898 WeakPolarHBondContact O-CA 3.3Å; R895-M898 WeakPolarHBondContact O-CB 3.48Å; R895-M898 PolarHBondContact O-N 2.85Å
899	E	41.5	Very low	50.5	Low	108 Å²	108	65.5 Å²	65.5	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-81.7	-27.3	178.1	-67	-173.7	168	0	0	113.1	R895 R897 S901	R895-E899 PolarHBondContact O-N 3.39Å; R897-E899 VanDerWaalsContact C-N 3.32Å; E899-S901 PolarHBondContact O-N 3.26Å
900	A	43.2	Very low	48.7	Very low	55 Å²	55	68.5 Å²	68.5	46%	0.455	40%	0.395	S	S	.	.			trans	-78.3	59.3	173.6	0	0	0	0	0	112.5	L896	L896-A900 WeakPolarHBondContact O-CB 3.39Å; L896-A900 PolarHBondContact O-N 2.64Å
901	S	35.3	Very low	46.9	Very low	71 Å²	71	72.7 Å²	72.7	50%	0.497	42%	0.422	S	S	.	.			trans	-65.3	147.5	160.5	-165.8	0	0	0	0	109.2	E899 I903 A904	E899-S901 PolarHBondContact O-N 3.26Å; S901-I903 PolarHBondContact O-N 2.77Å; S901-A904 PolarHBondContact O-N 3.03Å
902	P	37.6	Very low	44.9	Very low	97 Å²	97	74.9 Å²	74.9	63%	0.63	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-1	-164.1	-23.2	33.1	0	0	0	117.4	S906	P902-S906 PolarHBondContact O-OG 3.25Å; P902-S906 VanDerWaalsContact O-OG 3.08Å
903	I	34.8	Very low	43.3	Very low	132 Å²	132	80.7 Å²	80.7	68%	0.677	48%	0.476	S	S	*	.	H	α-helix	trans	-91.5	-30.7	-170.5	-56.8	175.7	0	0	0	111.3	S901	S901-I903 PolarHBondContact O-N 2.77Å
904	A	33.6	Very low	41.7	Very low	64 Å²	64	90.5 Å²	90.5	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-86.9	-25.2	-174.4	0	0	0	0	0	114.4	S901 L908	S901-A904 PolarHBondContact O-N 3.03Å; A904-L908 WeakPolarHBondContact O-CD1 3.5Å
905	V	37.3	Very low	39.9	Very low	56 Å²	56	99.5 Å²	99.5	34%	0.339	55%	0.548	S	S	.	.	H	α-helix	trans	-94.7	-22.4	-178.3	-175.8	0	0	0	0	112.4	E907 L908	V905-E907 PolarHBondContact O-N 2.57Å; V905-L908 PolarHBondContact O-N 3.31Å
906	S	35.2	Very low	38.4	Very low	54 Å²	54	100.1 Å²	100.1	38%	0.378	56%	0.564	S	S	.	*	H	α-helix	trans	-73.6	-24.4	-178.4	64.4	0	0	0	0	113.4	P902	P902-S906 PolarHBondContact O-OG 3.25Å; P902-S906 VanDerWaalsContact O-OG 3.08Å
907	E	33.4	Very low	37.3	Very low	155 Å²	155	105.1 Å²	105.1	72%	0.724	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-77.4	-20.8	172.2	-68.3	-168.1	158.3	0	0	113.1	V905 A909	V905-E907 PolarHBondContact O-N 2.57Å; E907-A909 PolarHBondContact O-N 3.27Å
908	L	38.1	Very low	36.6	Very low	54 Å²	54	107.3 Å²	107.3	28%	0.283	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-81.3	-9.6	-174.6	-80.1	161.9	0	0	0	114.8	I220 E223 A904 V905	I220-L908 HydrophobicContact CB-CD2 4.13Å; I220-L908 WeakPolarHBondContact CD1-O 3.38Å; I220-L908 HydrophobicContact CG1-CD2 3.68Å; I220-L908 HydrophobicContact CG2-CD2 4.21Å; E223-L908 WeakPolarHBondContact OE2-CD2 3.11Å; A904-L908 WeakPolarHBondContact O-CD1 3.5Å; V905-L908 PolarHBondContact O-N 3.31Å
909	A	34.9	Very low	36.4	Very low	63 Å²	63	105.7 Å²	105.7	52%	0.521	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-118.9	1.1	180	0	0	0	0	0	114.3	E907	E907-A909 PolarHBondContact O-N 3.27Å
910	A	30.5	Very low	36.8	Very low	68 Å²	68	106 Å²	106	56%	0.562	64%	0.635	S	S	*	*			trans	-107.4	15.1	-163.4	0	0	0	0	0	116.2	P912	A910-P912 WeakPolarHBondContact O-CD 3.46Å
911	V	30.4	Very low	37.1	Very low	131 Å²	131	111.4 Å²	111.4	79%	0.794	65%	0.654	S	S	*	*			trans	-87.8	106.7	175.4	-173.4	0	0	0	0	110.2
912	P	31	Very low	37.4	Very low	98 Å²	98	115.8 Å²	115.8	64%	0.636	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-68.8	150.4	169.9	-2.3	21.7	0	0	0	108.2	A910 K914	A910-P912 WeakPolarHBondContact O-CD 3.46Å; P912-K914 PolarHBondContact O-N 3.02Å; P912-K914 VanDerWaalsContact O-N 3.17Å
913	P	33.3	Very low	37.4	Very low	124 Å²	124	116.7 Å²	116.7	81%	0.805	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-57	126.5	169.3	24.5	-31.1	0	0	0	109	R915	P913-R915 PolarHBondContact O-N 3.1Å; P913-R915 VanDerWaalsContact O-N 3.14Å
914	K	34	Very low	37.5	Very low	206 Å²	206	115.9 Å²	115.9	90%	0.896	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-55.3	122.5	169.8	-79.4	-174.3	176.4	-177	0	107.9	P912	P912-K914 PolarHBondContact O-N 3.02Å; P912-K914 VanDerWaalsContact O-N 3.17Å
915	R	32.2	Very low	37.7	Very low	230 Å²	230	118.8 Å²	118.8	87%	0.868	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-52.6	133.1	174.5	-166.7	-176.1	-95.9	-146.5	-2	108.4	P913	P913-R915 PolarHBondContact O-N 3.1Å; P913-R915 VanDerWaalsContact O-N 3.14Å
916	P	36.9	Very low	37.8	Very low	104 Å²	104	122.5 Å²	122.5	68%	0.675	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-57.2	143.8	172.1	-14.1	25.6	0	0	0	109.1
917	P	42.2	Very low	37.9	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-58.8	144.1	171	26	-31.4	0	0	0	109.2
918	P	43.4	Very low	38.2	Very low	112 Å²	112	124.9 Å²	124.9	73%	0.727	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-59	149	172.4	26	-31.6	0	0	0	109.4	S920	P918-S920 PolarHBondContact O-N 3.12Å; P918-S920 VanDerWaalsContact O-N 3.16Å
919	P	44.8	Very low	38.2	Very low	122 Å²	122	129.9 Å²	129.9	79%	0.792	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.8	123.5	173	10.7	-8.7	0	0	0	108.5	I921	P919-I921 PolarHBondContact O-N 2.67Å
920	S	50.2	Low	38.5	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	81%	0.809	S	S	*	*			trans	-66.4	113.3	171.1	54.4	0	0	0	0	108.1	P918 A922	P918-S920 PolarHBondContact O-N 3.12Å; P918-S920 VanDerWaalsContact O-N 3.16Å; S920-A922 PolarHBondContact O-N 3.1Å
921	I	50.4	Low	39.2	Very low	169 Å²	169	140.7 Å²	140.7	87%	0.867	83%	0.829	S	S	*	*			trans	-71.1	113.5	166.7	-60.4	169.8	0	0	0	106.4	P919	P919-I921 PolarHBondContact O-N 2.67Å
922	A	41.3	Very low	40	Very low	163 Å²	163	141.5 Å²	141.5	100%	1.347	83%	0.833	S	S	*	*			trans	-114.4	0	155.6	0	0	0	0	0	107.2	S920	S920-A922 PolarHBondContact O-N 3.1Å

Retrieved 922 of 922 residues in 573.4 ms (Link to these results)

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