A0A077ZM51_TRITR Loading...

Phage connector domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,135 aa.

						>A0A077ZM51_TRITR|A0A077ZM51
MLIQVLPVSPLTYIGSQSQANALLPLGWSINAICAMLGNMTIESFISADLYEQGVAVDERGYGLVQWTPAVDTIIPYLNQNCPNWQTDLDANGNCQCQSVPQEYRRYQTMDAFATATDDVAYMAKCFVYCYERPADPSATLEDRAKYAQYYFNLLQGDRTDDEAIALLETIDNEGVDEENWKQKYEDNDAEWRKKYTERFKEGKPVVTPTPEPKEEPVDEEERQESLNLDDLLYGASTYYKDYVPYVTADADSLRGIGAIIMNNPALENEFLNTLVNRIAFARIASRLYTNPLATLKKGVIDVGETVEDIFVNIAKVYQYGEIAGSGADTATNLFKKYEPDVRTAFYIMNSQLTYPVTVNRAMLKSAFKSWSGMDELINGIIQSVYTAAAYDEFNITKYLIGQHILNGKLAYYRFDETSADKYKLCATQMRKVSNDFQFMSTDYNIAGVTTFTDSDKKVILINTDYDANIDTNVLASAFQLPYADYLNRRILIDGLGHLDIARLNKAFANDPTYTEPSADDMAFLDKVAGVIIDEDFVQIYDNVFEMRDMPVANTLDHNYFLHMWQTYGVSPIGVIMAYIIPDSIIYILSGVECDRDYNHIKWFNSRAEQQSYMLNHRIKTYNRCTYVRDGVVAIEAWADDIYSANYMMFQNSAFSDKWFYAFITEVRYENNRTAEVHYTIDLWQTWWMDCKVGECFVEREHVLDDAIGHNTIPEGLEYGELIVSKQSLLTDFSYNVIYGCEIVISESQLTPIENQPTWYDKPVLGRVFQDLGLTLGALAKYSGRVASGVSSAIGGYVQGGVGGAVTSAGAGVLDSIAQYSKDTHDTSRLSGASSGSVLWANQLKDAQCYVKQIRAEYARTIDQFFDMVEGLPVEADARWLALKLFELGSVAFFYDEDAGEYACMQYLSMGVFDGYGNPTKITVYSPWTHYNKVLEKGQFVIIWDNYLRVNNYQSFIGLAYRLTRLDGTIDVNCTAQKTPVVVACNENSQLSMKNMIAKVDADEPYIPVSKKFNTDDIQAIQLNAPFVALDLLEAQQRLYNQGNSMLGITSVIAQKKERMITSEVESSNADALANRRSRTMARDYATEQIRDIFGINVRWFFDDGDEPNKEVDGEDDAFQDLKDKSLASSMIKRF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.7	Very low	28.7	Very low	185 Å²	185	107.1 Å²	107.1	91%	0.911	58%	0.582	S	S	*	*				0	107.7	0	-81.5	173.4	175.6	0	0	107.2
2	L	23.1	Very low	29.8	Very low	187 Å²	187	101.3 Å²	101.3	98%	0.979	55%	0.553	S	S	*	*			trans	-89	102.2	173.8	-98.2	138.5	0	0	0	107
3	I	27.3	Very low	30.6	Very low	60 Å²	60	101.8 Å²	101.8	31%	0.308	54%	0.543	S	S	.	.			trans	-101.6	112.1	170.6	-56.6	174.7	0	0	0	106.2	V5 L23 L64	I3-V5 HydrophobicContact CB-CG2 4.18Å; I3-V5 HydrophobicContact CG2-CG2 3.46Å; I3-V5 VanDerWaalsContact CG2-CG2 3.46Å; I3-V5 PolarHBondContact O-N 3.02Å; I3-L23 HydrophobicContact CD1-CD2 3.85Å; I3-L64 WeakPolarHBondContact O-CD1 3.5Å
4	Q	25.7	Very low	30.8	Very low	196 Å²	196	103.6 Å²	103.6	92%	0.916	55%	0.551	S	S	*	*			trans	-71.8	107.6	162.6	-99.8	178.8	-32.3	0	0	107.3
5	V	29.4	Very low	31.6	Very low	45 Å²	45	97.3 Å²	97.3	27%	0.273	52%	0.52	S	S	.	.			trans	-101.6	115.9	176.6	-174	0	0	0	0	108.2	I3 Q19 M40 L64	I3-V5 HydrophobicContact CB-CG2 4.18Å; I3-V5 HydrophobicContact CG2-CG2 3.46Å; I3-V5 VanDerWaalsContact CG2-CG2 3.46Å; I3-V5 PolarHBondContact O-N 3.02Å; V5-Q19 HydrophobicContact CG1-CG 4.48Å; V5-Q19 VanDerWaalsContact CG1-NE2 3.29Å; V5-M40 HydrophobicContact CG1-CE 4.12Å; V5-L64 HydrophobicContact CB-CD1 4.4Å; V5-L64 HydrophobicContact CB-CD2 3.86Å; V5-L64 HydrophobicContact CG2-CD1 4.44Å; V5-L64 HydrophobicContact CG2-CD2 3.55Å
6	L	27.1	Very low	32.4	Very low	114 Å²	114	91.3 Å²	91.3	60%	0.597	49%	0.488	S	S	*	.			trans	-64.4	147.3	170.6	-70.9	165.3	0	0	0	110.4	V8	L6-V8 PolarHBondContact O-N 3.37Å; L6-V8 VanDerWaalsContact O-N 3.16Å
7	P	26.5	Very low	33.6	Very low	115 Å²	115	89.3 Å²	89.3	75%	0.747	48%	0.475	S	S	*	.			trans	-58.7	120	-178.5	22.9	-31.8	0	0	0	110.7	S9	P7-S9 PolarHBondContact O-N 3.38Å
8	V	29.2	Very low	34.3	Very low	35 Å²	35	86.7 Å²	86.7	21%	0.212	47%	0.465	C	S	.	.			trans	-81.2	102.5	176	-168.9	0	0	0	0	107.4	L6 M40	L6-V8 PolarHBondContact O-N 3.37Å; L6-V8 VanDerWaalsContact O-N 3.16Å; V8-M40 HydrophobicContact CG2-CE 4.23Å
9	S	31	Very low	35.2	Very low	52 Å²	52	82.7 Å²	82.7	36%	0.364	44%	0.444	S	S	.	.			trans	-65.7	137.2	152.4	158.2	0	0	0	0	107.3	P7 L11 T12	P7-S9 PolarHBondContact O-N 3.38Å; S9-L11 PolarHBondContact O-N 3.37Å; S9-L11 PolarHBondContact OG-N 3.45Å; S9-T12 PolarHBondContact O-N 3.42Å; S9-T12 PolarHBondContact O-OG1 3.34Å
10	P	33.2	Very low	36.4	Very low	87 Å²	87	78.7 Å²	78.7	57%	0.565	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	7.9	-179.9	22.9	-31.3	0	0	0	114.7
11	L	37.2	Very low	37.3	Very low	102 Å²	102	79.7 Å²	79.7	53%	0.534	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	7.8	-170.2	-74.8	162.3	0	0	0	115.2	S9	S9-L11 PolarHBondContact O-N 3.37Å; S9-L11 PolarHBondContact OG-N 3.45Å
12	T	42.2	Very low	38.7	Very low	38 Å²	38	73.2 Å²	73.2	23%	0.233	40%	0.403	C	S	.	.			trans	-113.1	107.6	-174.1	34.9	0	0	0	0	114.7	S9 I14 G15	S9-T12 PolarHBondContact O-N 3.42Å; S9-T12 PolarHBondContact O-OG1 3.34Å; T12-I14 PolarHBondContact O-N 3.33Å; T12-G15 PolarHBondContact O-N 3.31Å
13	Y	40.6	Very low	40.6	Very low	107 Å²	107	64.5 Å²	64.5	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-44.6	-33.7	165.7	-177.1	-96.3	0	0	0	113.3	G15 S16 Q17 L154	Y13-G15 PolarHBondContact O-N 3.03Å; Y13-S16 PolarHBondContact O-OG 3.46Å; Y13-Q17 WeakPolarHBondContact O-CB 3.24Å; Y13-Q17 PolarHBondContact O-N 2.85Å; Y13-Q17 VanDerWaalsContact O-N 3.08Å; Y13-L154 HydrophobicContact CD2-CD1 4Å; Y13-L154 HydrophobicContact CD2-CD2 4.01Å; Y13-L154 HydrophobicContact CD2-CG 3.78Å; Y13-L154 HydrophobicContact CE2-CG 4.18Å
14	I	33.2	Very low	42.8	Very low	127 Å²	127	65.3 Å²	65.3	65%	0.651	36%	0.362	S	S	*	.	H	α-helix	trans	-67.4	-34.9	-178.5	-59	171.8	0	0	0	112.1	T12 S18	T12-I14 PolarHBondContact O-N 3.33Å; I14-S18 WeakPolarHBondContact O-CB 3.48Å; I14-S18 PolarHBondContact O-N 3.09Å; I14-S18 VanDerWaalsContact O-N 3.1Å
15	G	42.9	Very low	44.8	Very low	9 Å²	9	61 Å²	61	9%	0.093	35%	0.352	C	S	.	.	H	α-helix	trans	-71.8	-46.5	-178.8	0	0	0	0	0	112.6	T12 Y13 S18 Q19	T12-G15 PolarHBondContact O-N 3.31Å; Y13-G15 PolarHBondContact O-N 3.03Å; G15-S18 PolarHBondContact O-N 3.18Å; G15-S18 PolarHBondContact O-OG 2.9Å; G15-Q19 WeakPolarHBondContact O-CG 3.14Å; G15-Q19 PolarHBondContact O-N 3.04Å
16	S	44	Very low	46.8	Very low	2 Å²	2	64 Å²	64	1%	0.014	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-38.1	176.9	45.9	0	0	0	0	112.3	Y13 Q19 A20	Y13-S16 PolarHBondContact O-OG 3.46Å; S16-Q19 PolarHBondContact O-N 3.35Å; S16-A20 WeakPolarHBondContact O-CB 3.32Å; S16-A20 PolarHBondContact O-N 3.34Å
17	Q	52.7	Low	49.2	Very low	57 Å²	57	61 Å²	61	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-38.9	174.3	-154.2	73.2	24.8	0	0	112	Y13 Q19 A20 N21 L155	Y13-Q17 WeakPolarHBondContact O-CB 3.24Å; Y13-Q17 PolarHBondContact O-N 2.85Å; Y13-Q17 VanDerWaalsContact O-N 3.08Å; Q17-Q19 VanDerWaalsContact C-N 3.33Å; Q17-Q19 PolarHBondContact O-N 3.35Å; Q17-A20 PolarHBondContact O-N 3.42Å; Q17-N21 WeakPolarHBondContact O-CB 3.46Å; Q17-N21 PolarHBondContact O-N 2.89Å; Q17-N21 PolarHBondContact O-ND2 3.09Å; Q17-L155 VanDerWaalsContact OE1-CD2 3.3Å
18	S	46	Very low	51.9	Low	42 Å²	42	56.7 Å²	56.7	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-38.2	177.5	84.7	0	0	0	0	112.5	I14 G15 N21 A22	I14-S18 WeakPolarHBondContact O-CB 3.48Å; I14-S18 PolarHBondContact O-N 3.09Å; I14-S18 VanDerWaalsContact O-N 3.1Å; G15-S18 PolarHBondContact O-N 3.18Å; G15-S18 PolarHBondContact O-OG 2.9Å; S18-N21 PolarHBondContact O-N 3.5Å; S18-A22 WeakPolarHBondContact O-CB 3.28Å; S18-A22 PolarHBondContact O-N 3.03Å; S18-A22 VanDerWaalsContact O-N 3.07Å
19	Q	52.5	Low	54.7	Low	11 Å²	11	55.8 Å²	55.8	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-73.6	-37.1	178.7	-68.8	164.6	9.2	0	0	111.4	V5 G15 S16 Q17 A22 L23	V5-Q19 HydrophobicContact CG1-CG 4.48Å; V5-Q19 VanDerWaalsContact CG1-NE2 3.29Å; G15-Q19 WeakPolarHBondContact O-CG 3.14Å; G15-Q19 PolarHBondContact O-N 3.04Å; S16-Q19 PolarHBondContact O-N 3.35Å; Q17-Q19 VanDerWaalsContact C-N 3.33Å; Q17-Q19 PolarHBondContact O-N 3.35Å; Q19-A22 PolarHBondContact O-N 2.95Å; Q19-L23 WeakPolarHBondContact O-CB 3.18Å; Q19-L23 WeakPolarHBondContact O-CG 3.22Å; Q19-L23 PolarHBondContact O-N 3.2Å; Q19-L23 VanDerWaalsContact O-N 3.09Å
20	A	59.5	Low	57.2	Low	2 Å²	2	55.8 Å²	55.8	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-44.9	171.1	0	0	0	0	0	111.7	S16 Q17 A22 L23 L24 I33 L155	S16-A20 WeakPolarHBondContact O-CB 3.32Å; S16-A20 PolarHBondContact O-N 3.34Å; Q17-A20 PolarHBondContact O-N 3.42Å; A20-A22 VanDerWaalsContact C-N 3.25Å; A20-A22 PolarHBondContact O-N 3.49Å; A20-L23 PolarHBondContact O-N 2.83Å; A20-L24 HydrophobicContact CB-CD1 4.32Å; A20-L24 VanDerWaalsContact O-CB 3.32Å; A20-L24 WeakPolarHBondContact O-CB 3.31Å; A20-L24 WeakPolarHBondContact O-CD1 3.42Å; A20-L24 WeakPolarHBondContact O-CG 3.38Å; A20-L24 PolarHBondContact O-N 3.02Å; A20-I33 HydrophobicContact CB-CG2 4.47Å; A20-L155 HydrophobicContact CB-CD2 4.03Å
21	N	55.4	Low	59.9	Low	101 Å²	101	52.7 Å²	52.7	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-26.6	177.7	-72.4	-12.8	0	0	0	113.2	Q17 S18 P25	Q17-N21 WeakPolarHBondContact O-CB 3.46Å; Q17-N21 PolarHBondContact O-N 2.89Å; Q17-N21 PolarHBondContact O-ND2 3.09Å; S18-N21 PolarHBondContact O-N 3.5Å; N21-P25 WeakPolarHBondContact O-CD 3.33Å; N21-P25 VanDerWaalsContact O-CG 3.29Å; N21-P25 WeakPolarHBondContact O-CG 3.37Å
22	A	54.5	Low	62.2	Low	48 Å²	48	47.9 Å²	47.9	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-81.5	-34.3	175.9	0	0	0	0	0	113.5	S18 Q19 A20 L26	S18-A22 WeakPolarHBondContact O-CB 3.28Å; S18-A22 PolarHBondContact O-N 3.03Å; S18-A22 VanDerWaalsContact O-N 3.07Å; Q19-A22 PolarHBondContact O-N 2.95Å; A20-A22 VanDerWaalsContact C-N 3.25Å; A20-A22 PolarHBondContact O-N 3.49Å; A22-L26 WeakPolarHBondContact O-CD1 3.4Å
23	L	63.8	Low	64.1	Low	4 Å²	4	46 Å²	46	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-95.6	-30.4	-172.1	-70.9	169.3	0	0	0	114	I3 Q19 A20 L26 W28 I33 M36	I3-L23 HydrophobicContact CD1-CD2 3.85Å; Q19-L23 WeakPolarHBondContact O-CB 3.18Å; Q19-L23 WeakPolarHBondContact O-CG 3.22Å; Q19-L23 PolarHBondContact O-N 3.2Å; Q19-L23 VanDerWaalsContact O-N 3.09Å; A20-L23 PolarHBondContact O-N 2.83Å; L23-L26 HydrophobicContact CD2-CD1 4.42Å; L23-L26 WeakPolarHBondContact O-CB 3.42Å; L23-L26 PolarHBondContact O-N 2.86Å; L23-L26 VanDerWaalsContact O-N 3.1Å; L23-W28 HydrophobicContact CB-CB 4.09Å; L23-W28 HydrophobicContact CB-CD2 4.39Å; L23-W28 HydrophobicContact CB-CG 4.18Å; L23-W28 HydrophobicContact CD1-CE3 4.08Å; L23-W28 HydrophobicContact CD1-CZ3 4.3Å; L23-W28 HydrophobicContact CD2-CD2 3.91Å; L23-W28 HydrophobicContact CD2-CE3 4.22Å; L23-W28 HydrophobicContact CD2-CG 4.26Å; L23-W28 HydrophobicContact CD2-CZ2 4.31Å; L23-W28 WeakPolarHBondContact O-CB 3.23Å; L23-W28 PolarHBondContact O-N 2.9Å; L23-I33 HydrophobicContact CB-CD1 3.79Å; L23-I33 HydrophobicContact CB-CG1 3.94Å; L23-I33 HydrophobicContact CD1-CG1 4.08Å; L23-M36 HydrophobicContact CD1-CE 3.69Å
24	L	72.3	Confident	66.1	Low	78 Å²	78	41 Å²	41	41%	0.408	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-57.6	-44.3	176.3	-74.6	165	0	0	0	113.1	A20 L26 G27 I33	A20-L24 HydrophobicContact CB-CD1 4.32Å; A20-L24 VanDerWaalsContact O-CB 3.32Å; A20-L24 WeakPolarHBondContact O-CB 3.31Å; A20-L24 WeakPolarHBondContact O-CD1 3.42Å; A20-L24 WeakPolarHBondContact O-CG 3.38Å; A20-L24 PolarHBondContact O-N 3.02Å; L24-L26 PolarHBondContact O-N 3.12Å; L24-G27 PolarHBondContact O-N 2.81Å; L24-G27 VanDerWaalsContact O-N 3.16Å; L24-I33 HydrophobicContact CD2-CD1 4.16Å; L24-I33 HydrophobicContact CG-CD1 3.99Å
25	P	68.2	Low	68.5	Low	106 Å²	106	34.9 Å²	34.9	69%	0.688	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-66.8	-20	177	-18.9	32.8	0	0	0	113.7	N21 G27	N21-P25 WeakPolarHBondContact O-CD 3.33Å; N21-P25 VanDerWaalsContact O-CG 3.29Å; N21-P25 WeakPolarHBondContact O-CG 3.37Å; P25-G27 VanDerWaalsContact C-N 3.27Å
26	L	70.3	Confident	70.3	Confident	107 Å²	107	36 Å²	36	56%	0.56	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-87.1	6.6	177.6	-65.6	170.5	0	0	0	112.8	A22 L23 L24	A22-L26 WeakPolarHBondContact O-CD1 3.4Å; L23-L26 HydrophobicContact CD2-CD1 4.42Å; L23-L26 WeakPolarHBondContact O-CB 3.42Å; L23-L26 PolarHBondContact O-N 2.86Å; L23-L26 VanDerWaalsContact O-N 3.1Å; L24-L26 PolarHBondContact O-N 3.12Å
27	G	78.6	Confident	71.6	Confident	50 Å²	50	35.9 Å²	35.9	52%	0.515	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	14.2	176	0	0	0	0	0	115.1	L24 P25	L24-G27 PolarHBondContact O-N 2.81Å; L24-G27 VanDerWaalsContact O-N 3.16Å; P25-G27 VanDerWaalsContact C-N 3.27Å
28	W	83.1	Confident	72.6	Confident	25 Å²	25	33.2 Å²	33.2	10%	0.095	20%	0.202	C	C	.	.			trans	-79.2	142.7	175.7	-74	44.9	0	0	0	111.5	L23 A32 I33 M36 M110 A114	L23-W28 HydrophobicContact CB-CB 4.09Å; L23-W28 HydrophobicContact CB-CD2 4.39Å; L23-W28 HydrophobicContact CB-CG 4.18Å; L23-W28 HydrophobicContact CD1-CE3 4.08Å; L23-W28 HydrophobicContact CD1-CZ3 4.3Å; L23-W28 HydrophobicContact CD2-CD2 3.91Å; L23-W28 HydrophobicContact CD2-CE3 4.22Å; L23-W28 HydrophobicContact CD2-CG 4.26Å; L23-W28 HydrophobicContact CD2-CZ2 4.31Å; L23-W28 WeakPolarHBondContact O-CB 3.23Å; L23-W28 PolarHBondContact O-N 2.9Å; W28-A32 HydrophobicContact CE3-CB 4.43Å; W28-I33 HydrophobicContact CB-CD1 4.2Å; W28-I33 HydrophobicContact CB-CG1 4.17Å; W28-I33 HydrophobicContact CE3-CG1 4.27Å; W28-M36 HydrophobicContact CH2-SD 4.07Å; W28-M36 HydrophobicContact CZ3-CE 4.35Å; W28-M36 HydrophobicContact CZ3-SD 3.76Å; W28-M110 HydrophobicContact CH2-CE 4.27Å; W28-A114 CarbonylContact C-O 3.57Å; W28-A114 WeakPolarHBondContact CA-O 3.34Å; W28-A114 HydrophobicContact CD2-CB 4.05Å; W28-A114 HydrophobicContact CG-CB 4.12Å
29	S	88.5	Confident	73.8	Confident	17 Å²	17	31.3 Å²	31.3	12%	0.119	19%	0.189	C	C	.	.			trans	-76.7	149.9	172.7	81	0	0	0	0	111	N31 A32 I33 A114 A116	S29-N31 PolarHBondContact O-N 2.87Å; S29-A32 PolarHBondContact O-N 3.19Å; S29-A32 VanDerWaalsContact O-N 3.15Å; S29-A32 VanDerWaalsContact OG-CB 3.28Å; S29-A32 WeakPolarHBondContact OG-CB 3.24Å; S29-A32 PolarHBondContact OG-N 3.44Å; S29-I33 WeakPolarHBondContact O-CG1 3.45Å; S29-I33 PolarHBondContact O-N 2.99Å; S29-I33 VanDerWaalsContact O-N 3.09Å; S29-A114 PolarHBondContact N-O 2.99Å; S29-A116 VanDerWaalsContact CB-O 3.27Å; S29-A116 WeakPolarHBondContact CB-O 3.38Å; S29-A116 PolarHBondContact OG-O 2.84Å
30	I	82.7	Confident	74.5	Confident	52 Å²	52	32.7 Å²	32.7	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-60.8	-33.8	176	-152	159.6	0	0	0	111.6	I33 C34 F152 L155	I30-I33 PolarHBondContact O-N 3.16Å; I30-C34 WeakPolarHBondContact O-CB 3.43Å; I30-C34 PolarHBondContact O-N 2.75Å; I30-C34 PolarHBondContact O-SG 3.29Å; I30-F152 HydrophobicContact CG2-CE2 4.09Å; I30-L155 HydrophobicContact CD1-CB 4.33Å
31	N	89.3	Confident	74.6	Confident	22 Å²	22	34 Å²	34	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-41	176.7	-60.4	39.4	0	0	0	111.6	S29 C34 A35 T117 D118 V120 M123	S29-N31 PolarHBondContact O-N 2.87Å; N31-C34 PolarHBondContact O-N 3.09Å; N31-A35 WeakPolarHBondContact O-CB 3.4Å; N31-A35 PolarHBondContact O-N 3.27Å; N31-T117 PolarHBondContact ND2-O 3.44Å; N31-D118 PolarHBondContact ND2-O 2.83Å; N31-V120 HydrophobicContact CB-CG2 4.12Å; N31-M123 HydrophobicContact CB-CE 4.27Å; N31-M123 HydrophobicContact CB-SD 3.71Å
32	A	85.9	Confident	75	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-41	175.9	0	0	0	0	0	111.8	W28 S29 A35 M36 F113 M123	W28-A32 HydrophobicContact CE3-CB 4.43Å; S29-A32 PolarHBondContact O-N 3.19Å; S29-A32 VanDerWaalsContact O-N 3.15Å; S29-A32 VanDerWaalsContact OG-CB 3.28Å; S29-A32 WeakPolarHBondContact OG-CB 3.24Å; S29-A32 PolarHBondContact OG-N 3.44Å; A32-A35 PolarHBondContact O-N 3.33Å; A32-M36 WeakPolarHBondContact O-CB 3.26Å; A32-M36 PolarHBondContact O-N 2.84Å; A32-F113 HydrophobicContact CB-CD1 4.2Å; A32-F113 HydrophobicContact CB-CE1 3.96Å; A32-F113 WeakPolarHBondContact CB-O 3.3Å; A32-M123 HydrophobicContact CB-CE 3.89Å
33	I	81.9	Confident	75.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.7	-64.3	162.9	0	0	0	110.3	A20 L23 L24 W28 S29 I30 M36 L37	A20-I33 HydrophobicContact CB-CG2 4.47Å; L23-I33 HydrophobicContact CB-CD1 3.79Å; L23-I33 HydrophobicContact CB-CG1 3.94Å; L23-I33 HydrophobicContact CD1-CG1 4.08Å; L24-I33 HydrophobicContact CD2-CD1 4.16Å; L24-I33 HydrophobicContact CG-CD1 3.99Å; W28-I33 HydrophobicContact CB-CD1 4.2Å; W28-I33 HydrophobicContact CB-CG1 4.17Å; W28-I33 HydrophobicContact CE3-CG1 4.27Å; S29-I33 WeakPolarHBondContact O-CG1 3.45Å; S29-I33 PolarHBondContact O-N 2.99Å; S29-I33 VanDerWaalsContact O-N 3.09Å; I30-I33 PolarHBondContact O-N 3.16Å; I33-M36 PolarHBondContact O-N 3.22Å; I33-L37 HydrophobicContact CG2-CD1 3.94Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 3.01Å
34	C	83.1	Confident	74.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-40.4	178.7	-63.9	0	0	0	0	112.9	I30 N31 M36 L37 G38 V120 A148 F152	I30-C34 WeakPolarHBondContact O-CB 3.43Å; I30-C34 PolarHBondContact O-N 2.75Å; I30-C34 PolarHBondContact O-SG 3.29Å; N31-C34 PolarHBondContact O-N 3.09Å; C34-M36 VanDerWaalsContact C-N 3.3Å; C34-M36 PolarHBondContact O-N 2.84Å; C34-L37 PolarHBondContact O-N 3.39Å; C34-G38 PolarHBondContact O-N 2.82Å; C34-V120 HydrophobicContact CB-CG1 3.67Å; C34-A148 WeakPolarHBondContact O-CA 3.4Å; C34-F152 HydrophobicContact CB-CB 4.22Å; C34-F152 VanDerWaalsContact SG-CA 3.56Å
35	A	83.4	Confident	72.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-33.7	175.6	0	0	0	0	0	112.7	N31 A32 N39 F113 M123 A124	N31-A35 WeakPolarHBondContact O-CB 3.4Å; N31-A35 PolarHBondContact O-N 3.27Å; A32-A35 PolarHBondContact O-N 3.33Å; A35-N39 PolarHBondContact O-ND2 2.89Å; A35-F113 HydrophobicContact CB-CE2 4.45Å; A35-F113 HydrophobicContact CB-CZ 3.82Å; A35-M123 HydrophobicContact CB-CB 3.73Å; A35-A124 HydrophobicContact CB-CB 4.41Å
36	M	80.7	Confident	70.6	Confident	31 Å²	31	40.3 Å²	40.3	15%	0.153	22%	0.215	C	C	.	.	H	α-helix	trans	-73.2	-45.3	174.3	-169.5	-175.7	68.8	0	0	111.7	L23 W28 A32 I33 C34 G38 N39 M40 F127	L23-M36 HydrophobicContact CD1-CE 3.69Å; W28-M36 HydrophobicContact CH2-SD 4.07Å; W28-M36 HydrophobicContact CZ3-CE 4.35Å; W28-M36 HydrophobicContact CZ3-SD 3.76Å; A32-M36 WeakPolarHBondContact O-CB 3.26Å; A32-M36 PolarHBondContact O-N 2.84Å; I33-M36 PolarHBondContact O-N 3.22Å; C34-M36 VanDerWaalsContact C-N 3.3Å; C34-M36 PolarHBondContact O-N 2.84Å; M36-G38 VanDerWaalsContact C-N 3.28Å; M36-G38 PolarHBondContact O-N 2.97Å; M36-N39 PolarHBondContact O-N 2.77Å; M36-N39 VanDerWaalsContact O-N 3.12Å; M36-M40 HydrophobicContact CE-SD 4.22Å; M36-M40 HydrophobicContact CG-SD 4.43Å; M36-M40 WeakPolarHBondContact O-CG 3.29Å; M36-M40 PolarHBondContact O-N 2.88Å; M36-F127 HydrophobicContact CG-CE2 4.3Å; M36-F127 HydrophobicContact CG-CZ 4.14Å
37	L	72.5	Confident	68.7	Low	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-39.5	174.9	-81.9	168	0	0	0	112.7	I33 C34 N39 M40 T41 Y151 L155	I33-L37 HydrophobicContact CG2-CD1 3.94Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 3.01Å; C34-L37 PolarHBondContact O-N 3.39Å; L37-N39 VanDerWaalsContact C-N 3.32Å; L37-N39 PolarHBondContact O-N 3.49Å; L37-M40 PolarHBondContact O-N 2.82Å; L37-T41 PolarHBondContact O-N 3.3Å; L37-T41 PolarHBondContact O-OG1 3.07Å; L37-Y151 HydrophobicContact CB-CD1 4.28Å; L37-Y151 HydrophobicContact CB-CD2 3.46Å; L37-Y151 VanDerWaalsContact CB-CD2 3.46Å; L37-Y151 HydrophobicContact CB-CE2 3.76Å; L37-Y151 HydrophobicContact CB-CG 3.75Å; L37-Y151 HydrophobicContact CD1-CD1 3.94Å; L37-Y151 HydrophobicContact CD1-CD2 4.48Å; L37-Y151 HydrophobicContact CD1-CG 3.9Å; L37-Y151 HydrophobicContact CD2-CD1 4.49Å; L37-Y151 HydrophobicContact CD2-CE1 4.3Å; L37-Y151 HydrophobicContact CG-CD2 4.48Å; L37-Y151 HydrophobicContact CG-CG 4.36Å; L37-Y151 WeakPolarHBondContact O-CE2 3.47Å; L37-L155 HydrophobicContact CD1-CD1 4.35Å
38	G	72.5	Confident	66.2	Low	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-34.5	176.3	0	0	0	0	0	114	C34 M36	C34-G38 PolarHBondContact O-N 2.82Å; M36-G38 VanDerWaalsContact C-N 3.28Å; M36-G38 PolarHBondContact O-N 2.97Å
39	N	71.9	Confident	63.7	Low	3 Å²	3	44.9 Å²	44.9	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-76.8	-42.3	173.5	-75.5	-61.4	0	0	0	112	A35 M36 L37 T41 I42 E43 F127 V128 R144	A35-N39 PolarHBondContact O-ND2 2.89Å; M36-N39 PolarHBondContact O-N 2.77Å; M36-N39 VanDerWaalsContact O-N 3.12Å; L37-N39 VanDerWaalsContact C-N 3.32Å; L37-N39 PolarHBondContact O-N 3.49Å; N39-T41 PolarHBondContact O-N 2.78Å; N39-I42 PolarHBondContact O-N 3.49Å; N39-E43 PolarHBondContact O-N 2.82Å; N39-E43 VanDerWaalsContact O-N 3.16Å; N39-F127 HydrophobicContact CB-CD1 4.03Å; N39-F127 HydrophobicContact CB-CE1 4.12Å; N39-F127 WeakPolarHBondContact ND2-CD1 3.14Å; N39-V128 WeakPolarHBondContact OD1-CG2 3.4Å; N39-R144 VanDerWaalsContact OD1-CD 3.22Å; N39-R144 WeakPolarHBondContact OD1-CD 3.45Å; N39-R144 PolarHBondContact OD1-NH1 3.18Å
40	M	66.9	Low	61	Low	39 Å²	39	50.6 Å²	50.6	19%	0.192	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-40.4	175.6	-73.9	178.3	63	0	0	111.2	V5 V8 M36 L37 I42 E43 S44	V5-M40 HydrophobicContact CG1-CE 4.12Å; V8-M40 HydrophobicContact CG2-CE 4.23Å; M36-M40 HydrophobicContact CE-SD 4.22Å; M36-M40 HydrophobicContact CG-SD 4.43Å; M36-M40 WeakPolarHBondContact O-CG 3.29Å; M36-M40 PolarHBondContact O-N 2.88Å; L37-M40 PolarHBondContact O-N 2.82Å; M40-I42 VanDerWaalsContact C-N 3.26Å; M40-I42 PolarHBondContact O-N 2.84Å; M40-E43 PolarHBondContact O-N 3.35Å; M40-S44 WeakPolarHBondContact O-CA 3.34Å; M40-S44 WeakPolarHBondContact O-CB 3.28Å; M40-S44 PolarHBondContact O-N 3.25Å; M40-S44 PolarHBondContact O-OG 3.17Å
41	T	62.3	Low	58.9	Low	31 Å²	31	54.8 Å²	54.8	19%	0.19	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-30.3	-176.5	-54.1	0	0	0	0	113.7	L37 N39 Y147 Y151	L37-T41 PolarHBondContact O-N 3.3Å; L37-T41 PolarHBondContact O-OG1 3.07Å; N39-T41 PolarHBondContact O-N 2.78Å; T41-Y147 HydrophobicContact CG2-CD1 3.64Å; T41-Y147 HydrophobicContact CG2-CD2 4.41Å; T41-Y147 HydrophobicContact CG2-CE1 3.76Å; T41-Y147 HydrophobicContact CG2-CG 4Å; T41-Y151 WeakPolarHBondContact OG1-CE2 3.4Å; T41-Y151 VanDerWaalsContact OG1-CZ 3.29Å; T41-Y151 PolarHBondContact OG1-OH 3.36Å
42	I	62.3	Low	56.4	Low	50 Å²	50	59.7 Å²	59.7	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-85.9	-31.3	176.7	-88.6	169.5	0	0	0	112.6	N39 M40 T140 D143 R144 Y147	N39-I42 PolarHBondContact O-N 3.49Å; M40-I42 VanDerWaalsContact C-N 3.26Å; M40-I42 PolarHBondContact O-N 2.84Å; I42-T140 HydrophobicContact CG2-CG2 4.32Å; I42-D143 HydrophobicContact CD1-CB 3.66Å; I42-R144 HydrophobicContact CB-CG 4.25Å; I42-R144 HydrophobicContact CD1-CB 4.3Å; I42-R144 HydrophobicContact CD1-CG 3.47Å; I42-R144 VanDerWaalsContact CD1-CG 3.47Å; I42-R144 HydrophobicContact CG1-CG 4.41Å; I42-R144 HydrophobicContact CG2-CG 4.35Å; I42-Y147 HydrophobicContact CD1-CD2 3.65Å; I42-Y147 HydrophobicContact CD1-CE2 3.69Å; I42-Y147 HydrophobicContact CG1-CD2 3.81Å; I42-Y147 HydrophobicContact CG1-CE2 3.65Å
43	E	57.8	Low	54.1	Low	97 Å²	97	68.9 Å²	68.9	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-99.7	-15.1	-175.8	-65.9	-144	165.7	0	0	115.3	N39 M40 F45 E132 R144	N39-E43 PolarHBondContact O-N 2.82Å; N39-E43 VanDerWaalsContact O-N 3.16Å; M40-E43 PolarHBondContact O-N 3.35Å; E43-F45 PolarHBondContact O-N 3.21Å; E43-E132 VanDerWaalsContact OE1-CD 3.28Å; E43-E132 VanDerWaalsContact OE1-OE1 3.11Å; E43-R144 IonicContact OE1-CZ 3.77Å; E43-R144 IonicContact OE1-NH2 2.69Å; E43-R144 PolarHBondContact OE1-NH2 2.98Å
44	S	43.2	Very low	52.4	Low	33 Å²	33	72.8 Å²	72.8	23%	0.231	40%	0.395	C	S	.	.			trans	-88.1	81.3	-168.2	59.5	0	0	0	0	114.5	M40	M40-S44 WeakPolarHBondContact O-CA 3.34Å; M40-S44 WeakPolarHBondContact O-CB 3.28Å; M40-S44 PolarHBondContact O-N 3.25Å; M40-S44 PolarHBondContact O-OG 3.17Å
45	F	33.9	Very low	50.5	Low	178 Å²	178	74.9 Å²	74.9	78%	0.781	41%	0.408	S	S	*	.			trans	-88.7	48	147.4	-76.2	-82.3	0	0	0	110.7	E43 S47	E43-F45 PolarHBondContact O-N 3.21Å; F45-S47 PolarHBondContact O-N 2.96Å
46	I	32.6	Very low	48.7	Very low	110 Å²	110	77.1 Å²	77.1	56%	0.564	43%	0.426	S	S	*	.			trans	-79	97.9	-169.7	-61.5	171	0	0	0	110.6
47	S	30.5	Very low	46.8	Very low	72 Å²	72	81.1 Å²	81.1	50%	0.503	45%	0.453	S	S	.	.			trans	-93.2	126.2	162	-177.4	0	0	0	0	108.9	F45 D49	F45-S47 PolarHBondContact O-N 2.96Å; S47-D49 PolarHBondContact O-N 3.16Å
48	A	26.2	Very low	45.4	Very low	89 Å²	89	85.1 Å²	85.1	74%	0.736	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	15.7	-170.9	0	0	0	0	0	115.4
49	D	30.1	Very low	43.9	Very low	118 Å²	118	91.2 Å²	91.2	63%	0.631	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.6	25.9	-173	-159.8	19.9	0	0	0	113.7	S47	S47-D49 PolarHBondContact O-N 3.16Å
50	L	32.2	Very low	42.5	Very low	137 Å²	137	96 Å²	96	72%	0.717	52%	0.52	S	S	*	.			trans	-110	111.4	-176.5	-104.7	151.7	0	0	0	112.2
51	Y	38.8	Very low	40.9	Very low	139 Å²	139	97.3 Å²	97.3	55%	0.545	54%	0.544	S	S	.	.			trans	-71.1	139.7	171.2	-62.4	-85.6	0	0	0	110.9	Q53	Y51-Q53 PolarHBondContact O-N 2.86Å; Y51-Q53 VanDerWaalsContact O-N 3.1Å
52	E	36.9	Very low	39.4	Very low	125 Å²	125	103.6 Å²	103.6	58%	0.584	57%	0.566	S	S	*	*			trans	-61.2	114.6	170.2	-170.3	176.4	-176.2	0	0	109.8	G54 V55	E52-G54 PolarHBondContact O-N 2.73Å; E52-V55 HydrophobicContact CG-CG2 4.31Å
53	Q	37.1	Very low	38	Very low	194 Å²	194	103.8 Å²	103.8	91%	0.907	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	115.8	175.7	-81.2	-168.4	-7.2	0	0	109.8	Y51	Y51-Q53 PolarHBondContact O-N 2.86Å; Y51-Q53 VanDerWaalsContact O-N 3.1Å
54	G	45.9	Very low	36.7	Very low	81 Å²	81	103.7 Å²	103.7	84%	0.835	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.8	-4.2	167.9	0	0	0	0	0	116.8	E52	E52-G54 PolarHBondContact O-N 2.73Å
55	V	43.5	Very low	36.4	Very low	45 Å²	45	105 Å²	105	27%	0.273	59%	0.588	S	S	.	*	S	Bend	trans	-118.2	146.7	-176.1	-162.9	0	0	0	0	110.7	E52 E59 R60	E52-V55 HydrophobicContact CG-CG2 4.31Å; V55-E59 HydrophobicContact CG1-CB 3.93Å; V55-R60 PolarHBondContact O-NE 3.29Å; V55-R60 PolarHBondContact O-NH2 2.8Å
56	A	44.7	Very low	36.5	Very low	46 Å²	46	104.8 Å²	104.8	38%	0.38	59%	0.59	S	S	.	*			trans	-66.6	150.2	-174.9	0	0	0	0	0	112.5	D58 E59 R60	A56-D58 VanDerWaalsContact C-OD1 3.27Å; A56-D58 WeakPolarHBondContact CB-OD1 3.27Å; A56-D58 PolarHBondContact O-N 3.05Å; A56-E59 PolarHBondContact O-N 3.18Å; A56-R60 WeakPolarHBondContact O-CG 3.35Å
57	V	40.2	Very low	36.8	Very low	116 Å²	116	105.1 Å²	105.1	70%	0.703	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-23.6	-167.7	178.2	0	0	0	0	113.7
58	D	43.8	Very low	37.2	Very low	85 Å²	85	105.6 Å²	105.6	46%	0.455	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.1	-10	-177	48.9	-48.9	0	0	0	114.4	A56 L89	A56-D58 VanDerWaalsContact C-OD1 3.27Å; A56-D58 WeakPolarHBondContact CB-OD1 3.27Å; A56-D58 PolarHBondContact O-N 3.05Å; D58-L89 HydrophobicContact CB-CD1 3.42Å; D58-L89 VanDerWaalsContact CB-CD1 3.42Å; D58-L89 WeakPolarHBondContact OD2-CD1 3.05Å; D58-L89 WeakPolarHBondContact OD2-CD2 3.48Å
59	E	41.4	Very low	37.9	Very low	127 Å²	127	104.4 Å²	104.4	59%	0.593	57%	0.568	S	S	*	*	S	Bend	trans	-115.1	8.7	-178.6	-63.4	-175.3	150.2	0	0	113	V55 A56	V55-E59 HydrophobicContact CG1-CB 3.93Å; A56-E59 PolarHBondContact O-N 3.18Å
60	R	42.4	Very low	38.2	Very low	103 Å²	103	101.2 Å²	101.2	39%	0.389	56%	0.559	S	S	.	*			trans	-91.7	129.7	-168.1	-68.3	175.1	-169.1	-177.9	1.4	114.1	V55 A56	V55-R60 PolarHBondContact O-NE 3.29Å; V55-R60 PolarHBondContact O-NH2 2.8Å; A56-R60 WeakPolarHBondContact O-CG 3.35Å
61	G	33.7	Very low	38.7	Very low	68 Å²	68	99.4 Å²	99.4	70%	0.701	55%	0.553	S	S	*	*			trans	-76.1	152.3	161.7	0	0	0	0	0	112.2
62	Y	29.7	Very low	39.1	Very low	163 Å²	163	98.6 Å²	98.6	64%	0.639	56%	0.558	S	S	*	*			trans	-123.1	136.4	178.8	-169.8	-92.7	0	0	0	109.8
63	G	32.9	Very low	39.5	Very low	53 Å²	53	96.4 Å²	96.4	55%	0.546	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	17.3	136.9	169.3	0	0	0	0	0	121.8	V65	G63-V65 PolarHBondContact O-N 2.8Å
64	L	30.7	Very low	39.8	Very low	95 Å²	95	91.6 Å²	91.6	50%	0.497	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-18.6	-179.1	-92.1	159.9	0	0	0	117.1	I3 V5	I3-L64 WeakPolarHBondContact O-CD1 3.5Å; V5-L64 HydrophobicContact CB-CD1 4.4Å; V5-L64 HydrophobicContact CB-CD2 3.86Å; V5-L64 HydrophobicContact CG2-CD1 4.44Å; V5-L64 HydrophobicContact CG2-CD2 3.55Å
65	V	36.5	Very low	39.8	Very low	61 Å²	61	90.2 Å²	90.2	37%	0.37	51%	0.506	S	S	.	.			trans	-133.6	76.6	-167.1	-149.7	0	0	0	0	112.5	G63 W67 T68	G63-V65 PolarHBondContact O-N 2.8Å; V65-W67 HydrophobicContact CG1-CB 3.85Å; V65-W67 PolarHBondContact O-N 2.89Å; V65-T68 WeakPolarHBondContact CG1-OG1 3.4Å
66	Q	36.2	Very low	40.3	Very low	174 Å²	174	91 Å²	91	81%	0.813	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	10.7	155.2	-78.6	-172.7	-15.6	0	0	112.8
67	W	39.8	Very low	40.3	Very low	117 Å²	117	96 Å²	96	44%	0.443	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	2.7	-159.8	-54.1	88.7	0	0	0	115.1	V65 P69 F127 Y131	V65-W67 HydrophobicContact CG1-CB 3.85Å; V65-W67 PolarHBondContact O-N 2.89Å; W67-P69 WeakPolarHBondContact O-CD 3.38Å; W67-F127 HydrophobicContact CH2-CE1 4.43Å; W67-F127 HydrophobicContact CH2-CZ 4.3Å; W67-F127 HydrophobicContact CZ2-CZ 4.47Å; W67-Y131 VanDerWaalsContact CH2-C 3.45Å; W67-Y131 VanDerWaalsContact CH2-CB 3.48Å; W67-Y131 WeakPolarHBondContact CH2-O 3.39Å; W67-Y131 VanDerWaalsContact CZ3-CB 3.45Å; W67-Y131 HydrophobicContact CZ3-CD1 4.2Å; W67-Y131 HydrophobicContact CZ3-CG 4.23Å; W67-Y131 WeakPolarHBondContact CZ3-O 3.44Å
68	T	39.6	Very low	40.5	Very low	81 Å²	81	92.9 Å²	92.9	50%	0.497	50%	0.501	S	S	.	.			trans	-98.1	113.6	-179.9	-55.9	0	0	0	0	110.8	V65 A70	V65-T68 WeakPolarHBondContact CG1-OG1 3.4Å; T68-A70 PolarHBondContact O-N 3.01Å
69	P	39.1	Very low	40.8	Very low	64 Å²	64	92.8 Å²	92.8	42%	0.416	50%	0.501	S	S	.	.			trans	-69.4	126.5	-179.3	-14.3	28.7	0	0	0	111.3	W67 V71 D72 T73	W67-P69 WeakPolarHBondContact O-CD 3.38Å; P69-V71 HydrophobicContact CB-CG2 4.45Å; P69-V71 PolarHBondContact O-N 3.23Å; P69-V71 VanDerWaalsContact O-N 3.14Å; P69-D72 PolarHBondContact O-N 2.9Å; P69-T73 PolarHBondContact O-OG1 3.1Å
70	A	36.8	Very low	41.2	Very low	52 Å²	52	94.3 Å²	94.3	43%	0.43	51%	0.508	S	S	.	.	I	π-helix	trans	-54.5	-30.9	169.7	0	0	0	0	0	112	T68 I74 I75	T68-A70 PolarHBondContact O-N 3.01Å; A70-I74 PolarHBondContact O-N 3.17Å; A70-I75 HydrophobicContact CB-CD1 4.36Å; A70-I75 VanDerWaalsContact O-CB 3.31Å; A70-I75 WeakPolarHBondContact O-CB 3.42Å; A70-I75 WeakPolarHBondContact O-CD1 3.28Å; A70-I75 WeakPolarHBondContact O-CG1 3.33Å; A70-I75 PolarHBondContact O-N 3.04Å
71	V	43.3	Very low	41.1	Very low	99 Å²	99	93.6 Å²	93.6	60%	0.6	51%	0.512	S	S	*	.	I	π-helix	trans	-69.9	-34.1	-170.8	-146.9	0	0	0	0	113.8	P69	P69-V71 HydrophobicContact CB-CG2 4.45Å; P69-V71 PolarHBondContact O-N 3.23Å; P69-V71 VanDerWaalsContact O-N 3.14Å
72	D	46.5	Very low	41.3	Very low	122 Å²	122	93.6 Å²	93.6	65%	0.652	50%	0.5	S	S	*	.	I	π-helix	trans	-108.8	-12.5	-169	-60.2	-36.2	0	0	0	113.9	P69	P69-D72 PolarHBondContact O-N 2.9Å
73	T	46.9	Very low	42	Very low	79 Å²	79	91 Å²	91	49%	0.485	50%	0.503	S	S	.	.	I	π-helix	trans	-127.6	-47.2	-170.5	2	0	0	0	0	113	P69	P69-T73 PolarHBondContact O-OG1 3.1Å
74	I	42.8	Very low	42.5	Very low	93 Å²	93	95 Å²	95	48%	0.477	51%	0.512	S	S	.	.	I	π-helix	trans	-91.3	-41.6	-172.5	-64.9	171.9	0	0	0	110.6	A70 Y77 L78	A70-I74 PolarHBondContact O-N 3.17Å; I74-Y77 PolarHBondContact O-N 3.38Å; I74-L78 HydrophobicContact CG2-CD1 3.67Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.39Å; I74-L78 VanDerWaalsContact O-CG 3.29Å; I74-L78 WeakPolarHBondContact O-CG 3.19Å; I74-L78 PolarHBondContact O-N 3.02Å
75	I	45.9	Very low	43.1	Very low	51 Å²	51	95 Å²	95	26%	0.262	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-43.7	178.7	-74.5	166.5	0	0	0	113	A70 Y77 L78 N79 W85	A70-I75 HydrophobicContact CB-CD1 4.36Å; A70-I75 VanDerWaalsContact O-CB 3.31Å; A70-I75 WeakPolarHBondContact O-CB 3.42Å; A70-I75 WeakPolarHBondContact O-CD1 3.28Å; A70-I75 WeakPolarHBondContact O-CG1 3.33Å; A70-I75 PolarHBondContact O-N 3.04Å; I75-Y77 PolarHBondContact O-N 3.32Å; I75-L78 PolarHBondContact O-N 3.07Å; I75-N79 WeakPolarHBondContact CG2-ND2 3.1Å; I75-N79 VanDerWaalsContact O-CB 3.3Å; I75-N79 WeakPolarHBondContact O-CB 3.41Å; I75-N79 PolarHBondContact O-N 2.88Å; I75-N79 PolarHBondContact O-ND2 2.72Å; I75-N79 VanDerWaalsContact O-ND2 3.14Å; I75-W85 HydrophobicContact CG1-CH2 4.07Å; I75-W85 HydrophobicContact CG1-CZ2 4.45Å; I75-W85 HydrophobicContact CG2-CH2 4.48Å; I75-W85 HydrophobicContact CG2-CZ2 4.18Å
76	P	52.8	Low	43.3	Very low	62 Å²	62	98.6 Å²	98.6	40%	0.403	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-37.4	175.2	-23.1	34.7	0	0	0	113.3	Q80	P76-Q80 WeakPolarHBondContact O-CB 2.95Å; P76-Q80 PolarHBondContact O-N 3.4Å; P76-Q80 VanDerWaalsContact O-N 3.09Å
77	Y	46.2	Very low	43.5	Very low	152 Å²	152	95.9 Å²	95.9	60%	0.596	51%	0.514	S	S	*	.	H	α-helix	trans	-67.6	-41.4	176.8	178	-96.4	0	0	0	112.3	I74 I75 Q80 N81	I74-Y77 PolarHBondContact O-N 3.38Å; I75-Y77 PolarHBondContact O-N 3.32Å; Y77-Q80 PolarHBondContact O-N 2.77Å; Y77-N81 WeakPolarHBondContact CD2-ND2 3.49Å; Y77-N81 WeakPolarHBondContact CE2-ND2 3.36Å; Y77-N81 WeakPolarHBondContact O-CB 3.34Å; Y77-N81 PolarHBondContact O-N 2.69Å; Y77-N81 VanDerWaalsContact O-N 3.08Å; Y77-N81 PolarHBondContact O-ND2 2.7Å; Y77-N81 VanDerWaalsContact O-ND2 3.14Å
78	L	44.5	Very low	43.5	Very low	49 Å²	49	97 Å²	97	26%	0.257	53%	0.528	S	S	.	.	H	α-helix	trans	-70.5	-36.9	176.1	-70.3	171.5	0	0	0	112.3	I74 I75 Q80 C82 W85	I74-L78 HydrophobicContact CG2-CD1 3.67Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.39Å; I74-L78 VanDerWaalsContact O-CG 3.29Å; I74-L78 WeakPolarHBondContact O-CG 3.19Å; I74-L78 PolarHBondContact O-N 3.02Å; I75-L78 PolarHBondContact O-N 3.07Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.79Å; L78-C82 CarbonylContact O-C 3.6Å; L78-C82 WeakPolarHBondContact O-CA 3.16Å; L78-C82 PolarHBondContact O-N 2.79Å; L78-W85 HydrophobicContact CB-CD2 4.31Å; L78-W85 HydrophobicContact CB-CG 4.1Å
79	N	48.9	Very low	43	Very low	84 Å²	84	99.2 Å²	99.2	45%	0.449	54%	0.537	S	S	.	.	H	α-helix	trans	-65	-28.5	172.5	-75.6	-27.1	0	0	0	113.2	I75 W85	I75-N79 WeakPolarHBondContact CG2-ND2 3.1Å; I75-N79 VanDerWaalsContact O-CB 3.3Å; I75-N79 WeakPolarHBondContact O-CB 3.41Å; I75-N79 PolarHBondContact O-N 2.88Å; I75-N79 PolarHBondContact O-ND2 2.72Å; I75-N79 VanDerWaalsContact O-ND2 3.14Å; N79-W85 PolarHBondContact OD1-NE1 3.41Å
80	Q	50	Low	42.7	Very low	158 Å²	158	103.8 Å²	103.8	74%	0.738	56%	0.558	S	S	*	*	H	α-helix	trans	-85.9	-34.1	-179.4	-169.3	172.6	14.1	0	0	113.2	P76 Y77 L78	P76-Q80 WeakPolarHBondContact O-CB 2.95Å; P76-Q80 PolarHBondContact O-N 3.4Å; P76-Q80 VanDerWaalsContact O-N 3.09Å; Y77-Q80 PolarHBondContact O-N 2.77Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.79Å
81	N	39.7	Very low	42.4	Very low	89 Å²	89	105.2 Å²	105.2	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-113.8	-18.3	-169.4	-64	-59.1	0	0	0	115	Y77	Y77-N81 WeakPolarHBondContact CD2-ND2 3.49Å; Y77-N81 WeakPolarHBondContact CE2-ND2 3.36Å; Y77-N81 WeakPolarHBondContact O-CB 3.34Å; Y77-N81 PolarHBondContact O-N 2.69Å; Y77-N81 VanDerWaalsContact O-N 3.08Å; Y77-N81 PolarHBondContact O-ND2 2.7Å; Y77-N81 VanDerWaalsContact O-ND2 3.14Å
82	C	38.6	Very low	41.8	Very low	68 Å²	68	107.9 Å²	107.9	46%	0.459	58%	0.58	S	S	.	*			trans	-141.5	78	-175.3	-73.5	0	0	0	0	112.5	L78 N84 W85	L78-C82 CarbonylContact O-C 3.6Å; L78-C82 WeakPolarHBondContact O-CA 3.16Å; L78-C82 PolarHBondContact O-N 2.79Å; C82-N84 PolarHBondContact O-N 3.4Å; C82-W85 VanDerWaalsContact O-CD1 3.22Å; C82-W85 PolarHBondContact O-N 3.34Å
83	P	44	Very low	41	Very low	107 Å²	107	105.4 Å²	105.4	70%	0.695	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-8.1	-168.2	-23.5	32.5	0	0	0	117.8
84	N	42.9	Very low	40.2	Very low	138 Å²	138	109.8 Å²	109.8	74%	0.738	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	22.7	-172.3	-62.5	-16.2	0	0	0	113.3	C82 Q86 T87	C82-N84 PolarHBondContact O-N 3.4Å; N84-Q86 PolarHBondContact O-N 2.78Å; N84-T87 PolarHBondContact O-OG1 2.91Å
85	W	44.3	Very low	39.5	Very low	94 Å²	94	111.4 Å²	111.4	36%	0.356	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-9.7	-176.5	69.7	-91.8	0	0	0	114.7	I75 L78 N79 C82	I75-W85 HydrophobicContact CG1-CH2 4.07Å; I75-W85 HydrophobicContact CG1-CZ2 4.45Å; I75-W85 HydrophobicContact CG2-CH2 4.48Å; I75-W85 HydrophobicContact CG2-CZ2 4.18Å; L78-W85 HydrophobicContact CB-CD2 4.31Å; L78-W85 HydrophobicContact CB-CG 4.1Å; N79-W85 PolarHBondContact OD1-NE1 3.41Å; C82-W85 VanDerWaalsContact O-CD1 3.22Å; C82-W85 PolarHBondContact O-N 3.34Å
86	Q	40.5	Very low	38.7	Very low	137 Å²	137	116.8 Å²	116.8	64%	0.64	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-0.8	-168.5	-71.5	175.3	-9.9	0	0	115.6	N84	N84-Q86 PolarHBondContact O-N 2.78Å
87	T	41.4	Very low	37.7	Very low	118 Å²	118	119.5 Å²	119.5	72%	0.724	67%	0.665	S	S	*	*	S	Bend	trans	-94.4	0.6	-169.4	40.6	0	0	0	0	116.3	N84	N84-T87 PolarHBondContact O-OG1 2.91Å
88	D	38	Very low	37.5	Very low	139 Å²	139	117.7 Å²	117.7	74%	0.743	66%	0.662	S	S	*	*	S	Bend	trans	-113.7	-15.3	-167	-85.2	-27	0	0	0	118.5
89	L	30.6	Very low	37.6	Very low	129 Å²	129	120.4 Å²	120.4	68%	0.675	69%	0.685	S	S	*	*			trans	-148.5	100.2	-169.3	-71.3	162.4	0	0	0	115.1	D58	D58-L89 HydrophobicContact CB-CD1 3.42Å; D58-L89 VanDerWaalsContact CB-CD1 3.42Å; D58-L89 WeakPolarHBondContact OD2-CD1 3.05Å; D58-L89 WeakPolarHBondContact OD2-CD2 3.48Å
90	D	31.9	Very low	37.9	Very low	160 Å²	160	117.1 Å²	117.1	86%	0.856	67%	0.668	S	S	*	*			trans	-129.7	152.5	162.8	58.3	-24	0	0	0	112
91	A	30	Very low	38.6	Very low	82 Å²	82	111.7 Å²	111.7	68%	0.678	65%	0.647	S	S	*	*			trans	93.5	86.6	170.1	0	0	0	0	0	118.3
92	N	30.8	Very low	40	Very low	155 Å²	155	115.7 Å²	115.7	83%	0.829	66%	0.663	S	S	*	*				174.6	90.4	119.6	-80.3	-27.7	0	0	0	111.9
93	G	31.2	Very low	41.8	Very low	70 Å²	70	118.2 Å²	118.2	72%	0.722	67%	0.668	S	S	*	*			trans	-72.3	164.3	-173.8	0	0	0	0	0	117.5
94	N	29.7	Very low	43.3	Very low	171 Å²	171	114.6 Å²	114.6	91%	0.914	64%	0.64	S	S	*	*			trans	-164	113.7	147.7	-86.5	-38.2	0	0	0	110.1
95	C	27.4	Very low	44.7	Very low	126 Å²	126	113.8 Å²	113.8	85%	0.851	63%	0.627	S	S	*	*			trans	-99.7	123.3	173	-57.6	0	0	0	0	109.6
96	Q	30.5	Very low	46.2	Very low	164 Å²	164	116.7 Å²	116.7	77%	0.766	64%	0.638	S	S	*	*			trans	-105.2	106.1	166.3	-72.7	-165.6	3.8	0	0	110.4
97	C	31	Very low	48	Very low	120 Å²	120	111 Å²	111	81%	0.811	61%	0.61	S	S	*	*			trans	-109.6	92.8	170.6	-68.6	0	0	0	0	108.8
98	Q	41.3	Very low	49.4	Very low	113 Å²	113	111 Å²	111	53%	0.528	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-88.2	138.5	167.6	-73.2	-171.1	1.3	0	0	110.6
99	S	46.4	Very low	51	Low	106 Å²	106	108.5 Å²	108.5	74%	0.741	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-76.7	125.6	-177.7	57.2	0	0	0	0	112.1
100	V	54.8	Low	53.2	Low	16 Å²	16	106 Å²	106	10%	0.097	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-61.9	124.2	173.8	-173.5	0	0	0	0	110.5	R105 Y129	V100-R105 HydrophobicContact CB-CG 4Å; V100-R105 HydrophobicContact CG1-CG 3.63Å; V100-R105 VanDerWaalsContact O-CZ 3.31Å; V100-R105 PolarHBondContact O-NE 3.38Å; V100-R105 PolarHBondContact O-NH2 3.02Å; V100-Y129 WeakPolarHBondContact CG2-O 3.18Å
101	P	64.9	Low	55.2	Low	43 Å²	43	104.8 Å²	104.8	28%	0.279	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-57.5	144.7	173.6	-21.7	31.6	0	0	0	111.9	E103 Y104 Y129	P101-E103 HydrophobicContact CB-CG 4.27Å; P101-E103 PolarHBondContact O-N 2.98Å; P101-E103 VanDerWaalsContact O-N 3.15Å; P101-Y104 HydrophobicContact CB-CD2 3.97Å; P101-Y104 HydrophobicContact CB-CE2 4.46Å; P101-Y104 HydrophobicContact CG-CD2 4.12Å; P101-Y104 PolarHBondContact O-N 3.01Å; P101-Y104 VanDerWaalsContact O-N 3.08Å; P101-Y129 HydrophobicContact CG-CD1 4.02Å; P101-Y129 HydrophobicContact CG-CE1 3.8Å
102	Q	69.4	Low	57.5	Low	174 Å²	174	102.5 Å²	102.5	81%	0.813	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-60.9	-29.6	-170.1	-169.7	165.1	-3.2	0	0	113.4	Y104	Q102-Y104 VanDerWaalsContact C-N 3.33Å; Q102-Y104 PolarHBondContact O-N 2.95Å
103	E	76.6	Confident	60.1	Low	121 Å²	121	95.1 Å²	95.1	57%	0.565	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18.8	177.5	65.4	-142.4	-147.5	0	0	115.2	P101 Y122	P101-E103 HydrophobicContact CB-CG 4.27Å; P101-E103 PolarHBondContact O-N 2.98Å; P101-E103 VanDerWaalsContact O-N 3.15Å; E103-Y122 PolarHBondContact O-OH 2.81Å
104	Y	75.9	Confident	62.5	Low	31 Å²	31	92.1 Å²	92.1	12%	0.122	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-109.1	0.5	-177.9	-58.6	-64.7	0	0	0	114.2	P101 Q102 R106 Y122 K125 C126 Y129 C130	P101-Y104 HydrophobicContact CB-CD2 3.97Å; P101-Y104 HydrophobicContact CB-CE2 4.46Å; P101-Y104 HydrophobicContact CG-CD2 4.12Å; P101-Y104 PolarHBondContact O-N 3.01Å; P101-Y104 VanDerWaalsContact O-N 3.08Å; Q102-Y104 VanDerWaalsContact C-N 3.33Å; Q102-Y104 PolarHBondContact O-N 2.95Å; Y104-R106 PolarHBondContact O-N 2.87Å; Y104-Y122 HydrophobicContact CD1-CE2 4.2Å; Y104-Y122 HydrophobicContact CE1-CE2 4.36Å; Y104-K125 HydrophobicContact CD1-CB 4.11Å; Y104-K125 HydrophobicContact CE1-CB 3.7Å; Y104-K125 HydrophobicContact CE1-CD 4.47Å; Y104-C126 PolarHBondContact O-SG 2.98Å; Y104-Y129 HydrophobicContact CD1-CD2 4.08Å; Y104-Y129 HydrophobicContact CD2-CD1 4.41Å; Y104-Y129 AromaticContact CD2-CD2 3.21Å; Y104-Y129 HydrophobicContact CD2-CD2 3.21Å; Y104-Y129 AromaticContact CD2-CE2 3.41Å; Y104-Y129 HydrophobicContact CD2-CE2 3.41Å; Y104-Y129 VanDerWaalsContact CD2-CE2 3.41Å; Y104-Y129 AromaticContact CD2-CG 3.76Å; Y104-Y129 HydrophobicContact CD2-CG 3.76Å; Y104-Y129 HydrophobicContact CE1-CD2 4.38Å; Y104-Y129 HydrophobicContact CE1-CE2 4.47Å; Y104-Y129 AromaticContact CE2-CD2 3.6Å; Y104-Y129 HydrophobicContact CE2-CD2 3.6Å; Y104-Y129 AromaticContact CE2-CE2 3.28Å; Y104-Y129 HydrophobicContact CE2-CE2 3.28Å; Y104-Y129 HydrophobicContact CE2-CG 4.48Å; Y104-Y129 AromaticContact CE2-CZ 3.96Å; Y104-Y129 AromaticContact CG-CD2 3.5Å; Y104-Y129 HydrophobicContact CG-CD2 3.5Å; Y104-Y129 HydrophobicContact CG-CE2 4.11Å; Y104-Y129 HydrophobicContact CG-CG 4.05Å; Y104-Y129 AromaticContact CZ-CE2 3.87Å; Y104-C130 PolarHBondContact O-SG 2.77Å
105	R	72.3	Confident	65.2	Low	120 Å²	120	88.5 Å²	88.5	45%	0.453	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-74.7	0.6	-176.9	-70	-175	-169	-176	5.3	115.4	V100 Y107 Q108	V100-R105 HydrophobicContact CB-CG 4Å; V100-R105 HydrophobicContact CG1-CG 3.63Å; V100-R105 VanDerWaalsContact O-CZ 3.31Å; V100-R105 PolarHBondContact O-NE 3.38Å; V100-R105 PolarHBondContact O-NH2 3.02Å; R105-Y107 PolarHBondContact O-N 2.8Å; R105-Q108 HydrophobicContact CB-CG 4.32Å; R105-Q108 WeakPolarHBondContact O-CG 3.25Å
106	R	75.4	Confident	67.9	Low	156 Å²	156	82.9 Å²	82.9	59%	0.589	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-61.4	-31.4	-173.5	-165.3	172.7	-174.1	-178.8	-5.5	112.9	Y104 D118	Y104-R106 PolarHBondContact O-N 2.87Å; R106-D118 IonicContact CZ-OD1 3.81Å; R106-D118 IonicContact CZ-OD2 2.9Å; R106-D118 IonicContact NE-OD2 2.72Å; R106-D118 IonicContact NH1-OD1 3.46Å; R106-D118 PolarHBondContact NH1-OD1 3.24Å; R106-D118 IonicContact NH1-OD2 2.79Å; R106-D118 PolarHBondContact NH1-OD2 3.3Å; R106-D118 IonicContact NH2-OD1 3.05Å; R106-D118 IonicContact NH2-OD2 3.81Å
107	Y	78.6	Confident	70.5	Confident	16 Å²	16	80.1 Å²	80.1	6%	0.063	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-119.3	52.8	-174.7	-57.9	-59.7	0	0	0	112.3	R105 T109 A112 F113 A116 D118 Y122 M123 C126 C130 Y131	R105-Y107 PolarHBondContact O-N 2.8Å; Y107-T109 VanDerWaalsContact C-N 3.3Å; Y107-T109 PolarHBondContact O-N 2.87Å; Y107-A112 HydrophobicContact CD1-CB 4.39Å; Y107-A112 WeakPolarHBondContact CD1-O 3.39Å; Y107-F113 HydrophobicContact CG-CD2 4.3Å; Y107-A116 HydrophobicContact CD1-CB 3.94Å; Y107-A116 HydrophobicContact CE1-CB 3.31Å; Y107-A116 HydrophobicContact CE2-CB 4.41Å; Y107-D118 WeakPolarHBondContact OH-CB 3.44Å; Y107-D118 PolarHBondContact OH-OD2 3.44Å; Y107-Y122 HydrophobicContact CE2-CD1 4.43Å; Y107-Y122 HydrophobicContact CE2-CE1 4.05Å; Y107-M123 HydrophobicContact CE2-CG 4.16Å; Y107-C126 HydrophobicContact CD2-CB 3.83Å; Y107-C130 PolarHBondContact O-SG 3.3Å; Y107-C130 VanDerWaalsContact O-SG 3.35Å; Y107-Y131 PolarHBondContact O-OH 2.89Å
108	Q	69.7	Low	73.2	Confident	118 Å²	118	76.4 Å²	76.4	55%	0.551	40%	0.395	S	S	*	.			trans	-71.9	-19.4	180	-84.5	-177.1	-10.9	0	0	114.6	R105	R105-Q108 HydrophobicContact CB-CG 4.32Å; R105-Q108 WeakPolarHBondContact O-CG 3.25Å
109	T	73.3	Confident	75.5	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.534	39%	0.393	S	S	.	.	S	Bend	trans	-112.4	138.4	177.7	56.9	0	0	0	0	110.2	Y107 D111 A112 F113 Y131	Y107-T109 VanDerWaalsContact C-N 3.3Å; Y107-T109 PolarHBondContact O-N 2.87Å; T109-D111 PolarHBondContact O-N 3.32Å; T109-A112 WeakPolarHBondContact O-CB 3.5Å; T109-A112 PolarHBondContact O-N 3.09Å; T109-A112 WeakPolarHBondContact OG1-CB 3.27Å; T109-F113 PolarHBondContact O-N 2.94Å; T109-Y131 PolarHBondContact O-OH 2.77Å
110	M	77	Confident	77.5	Confident	76 Å²	76	70.5 Å²	70.5	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-33.9	-176.9	-164	62.6	131	0	0	111.8	W28 A112 F113 A114 Y131	W28-M110 HydrophobicContact CH2-CE 4.27Å; M110-A112 PolarHBondContact O-N 2.83Å; M110-F113 PolarHBondContact O-N 3.17Å; M110-F113 HydrophobicContact SD-CD1 4.32Å; M110-A114 VanDerWaalsContact O-CB 3.26Å; M110-A114 WeakPolarHBondContact O-CB 3.38Å; M110-A114 PolarHBondContact O-N 2.89Å; M110-Y131 VanDerWaalsContact CA-OH 3.28Å; M110-Y131 WeakPolarHBondContact CA-OH 3.18Å; M110-Y131 HydrophobicContact CB-CE1 4.35Å; M110-Y131 PolarHBondContact N-OH 3.17Å; M110-Y131 VanDerWaalsContact N-OH 3.13Å; M110-Y131 HydrophobicContact SD-CD1 4.34Å; M110-Y131 HydrophobicContact SD-CE1 3.82Å; M110-Y131 HydrophobicContact SD-CE2 4.38Å
111	D	73.2	Confident	78.9	Confident	135 Å²	135	70.7 Å²	70.7	72%	0.722	36%	0.362	S	S	*	.	H	α-helix	trans	-58.9	-43.6	171	-92.7	0.7	0	0	0	113	T109 F113 T115	T109-D111 PolarHBondContact O-N 3.32Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-T115 PolarHBondContact O-N 2.81Å; D111-T115 PolarHBondContact O-OG1 3.39Å
112	A	78.8	Confident	80.1	Confident	34 Å²	34	71.7 Å²	71.7	28%	0.281	36%	0.361	S	S	.	.	H	α-helix	trans	-70.3	-31.6	178.1	0	0	0	0	0	111.8	Y107 T109 M110 A116	Y107-A112 HydrophobicContact CD1-CB 4.39Å; Y107-A112 WeakPolarHBondContact CD1-O 3.39Å; T109-A112 WeakPolarHBondContact O-CB 3.5Å; T109-A112 PolarHBondContact O-N 3.09Å; T109-A112 WeakPolarHBondContact OG1-CB 3.27Å; M110-A112 PolarHBondContact O-N 2.83Å; A112-A116 WeakPolarHBondContact O-CB 3.31Å
113	F	85.6	Confident	81	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-47.9	174.8	-175.9	-94.8	0	0	0	112.3	A32 A35 Y107 T109 M110 D111 T115 A116 M123 F127 Y131	A32-F113 HydrophobicContact CB-CD1 4.2Å; A32-F113 HydrophobicContact CB-CE1 3.96Å; A32-F113 WeakPolarHBondContact CB-O 3.3Å; A35-F113 HydrophobicContact CB-CE2 4.45Å; A35-F113 HydrophobicContact CB-CZ 3.82Å; Y107-F113 HydrophobicContact CG-CD2 4.3Å; T109-F113 PolarHBondContact O-N 2.94Å; M110-F113 PolarHBondContact O-N 3.17Å; M110-F113 HydrophobicContact SD-CD1 4.32Å; D111-F113 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 3.37Å; F113-A116 WeakPolarHBondContact O-CB 3.43Å; F113-A116 PolarHBondContact O-N 3.25Å; F113-A116 VanDerWaalsContact O-N 3.12Å; F113-M123 HydrophobicContact CD2-CE 4.38Å; F113-M123 HydrophobicContact CE2-CB 4.38Å; F113-M123 HydrophobicContact CE2-CE 4.06Å; F113-M123 HydrophobicContact CZ-CE 4.25Å; F113-F127 HydrophobicContact CD1-CD2 4.29Å; F113-F127 HydrophobicContact CD2-CD2 4.49Å; F113-F127 AromaticContact CE1-CD2 3.62Å; F113-F127 HydrophobicContact CE1-CD2 3.62Å; F113-F127 HydrophobicContact CE1-CE2 4.04Å; F113-F127 HydrophobicContact CE2-CB 3.93Å; F113-F127 AromaticContact CE2-CD2 3.84Å; F113-F127 HydrophobicContact CE2-CD2 3.84Å; F113-F127 HydrophobicContact CE2-CG 4.39Å; F113-F127 HydrophobicContact CZ-CB 4.02Å; F113-F127 AromaticContact CZ-CD2 3.36Å; F113-F127 HydrophobicContact CZ-CD2 3.36Å; F113-F127 HydrophobicContact CZ-CE2 4.22Å; F113-F127 HydrophobicContact CZ-CG 4.11Å; F113-Y131 HydrophobicContact CB-CE2 3.88Å; F113-Y131 WeakPolarHBondContact CB-OH 3.44Å; F113-Y131 HydrophobicContact CD1-CE2 4.45Å; F113-Y131 AromaticContact CD2-CE2 3.86Å; F113-Y131 HydrophobicContact CD2-CE2 3.86Å; F113-Y131 AromaticContact CG-CE2 3.79Å; F113-Y131 HydrophobicContact CG-CE2 3.79Å
114	A	81.3	Confident	81.5	Confident	8 Å²	8	57.6 Å²	57.6	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-29.5	-176	0	0	0	0	0	112.7	W28 S29 M110	W28-A114 CarbonylContact C-O 3.57Å; W28-A114 WeakPolarHBondContact CA-O 3.34Å; W28-A114 HydrophobicContact CD2-CB 4.05Å; W28-A114 HydrophobicContact CG-CB 4.12Å; S29-A114 PolarHBondContact N-O 2.99Å; M110-A114 VanDerWaalsContact O-CB 3.26Å; M110-A114 WeakPolarHBondContact O-CB 3.38Å; M110-A114 PolarHBondContact O-N 2.89Å
115	T	84.8	Confident	82	Confident	95 Å²	95	58.1 Å²	58.1	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-3.5	179.6	54.6	0	0	0	0	114.1	D111 F113	D111-T115 PolarHBondContact O-N 2.81Å; D111-T115 PolarHBondContact O-OG1 3.39Å; F113-T115 PolarHBondContact O-N 3.37Å
116	A	85.2	Confident	82.5	Confident	7 Å²	7	52.4 Å²	52.4	6%	0.058	28%	0.276	C	S	.	.			trans	-73.7	142	-172.2	0	0	0	0	0	113.6	S29 Y107 A112 F113 M123	S29-A116 VanDerWaalsContact CB-O 3.27Å; S29-A116 WeakPolarHBondContact CB-O 3.38Å; S29-A116 PolarHBondContact OG-O 2.84Å; Y107-A116 HydrophobicContact CD1-CB 3.94Å; Y107-A116 HydrophobicContact CE1-CB 3.31Å; Y107-A116 HydrophobicContact CE2-CB 4.41Å; A112-A116 WeakPolarHBondContact O-CB 3.31Å; F113-A116 WeakPolarHBondContact O-CB 3.43Å; F113-A116 PolarHBondContact O-N 3.25Å; F113-A116 VanDerWaalsContact O-N 3.12Å; A116-M123 HydrophobicContact CB-CE 3.61Å; A116-M123 HydrophobicContact CB-SD 3.95Å
117	T	85.9	Confident	82.8	Confident	107 Å²	107	45.5 Å²	45.5	66%	0.656	25%	0.251	S	S	*	.			trans	-123.5	21.6	-180	61.7	0	0	0	0	112.7	N31	N31-T117 PolarHBondContact ND2-O 3.44Å
118	D	86.9	Confident	82.8	Confident	41 Å²	41	44.8 Å²	44.8	22%	0.219	25%	0.248	C	C	.	.	S	Bend	trans	-69.7	175	175.9	-91.9	-10.8	0	0	0	111.3	N31 R106 Y107 V120 Y122 M123	N31-D118 PolarHBondContact ND2-O 2.83Å; R106-D118 IonicContact CZ-OD1 3.81Å; R106-D118 IonicContact CZ-OD2 2.9Å; R106-D118 IonicContact NE-OD2 2.72Å; R106-D118 IonicContact NH1-OD1 3.46Å; R106-D118 PolarHBondContact NH1-OD1 3.24Å; R106-D118 IonicContact NH1-OD2 2.79Å; R106-D118 PolarHBondContact NH1-OD2 3.3Å; R106-D118 IonicContact NH2-OD1 3.05Å; R106-D118 IonicContact NH2-OD2 3.81Å; Y107-D118 WeakPolarHBondContact OH-CB 3.44Å; Y107-D118 PolarHBondContact OH-OD2 3.44Å; D118-V120 PolarHBondContact O-N 3.47Å; D118-Y122 HydrophobicContact CB-CD1 4.46Å; D118-M123 HydrophobicContact CB-CG 4.08Å; D118-M123 HydrophobicContact CB-SD 4.25Å
119	D	88.6	Confident	83.1	Confident	92 Å²	92	41.7 Å²	41.7	49%	0.492	23%	0.231	S	C	.	.			trans	-48.8	129.5	172.4	175.3	56.3	0	0	0	112.5	A121 Y122 M123	D119-A121 PolarHBondContact O-N 2.82Å; D119-A121 WeakPolarHBondContact OD2-CB 3.43Å; D119-Y122 PolarHBondContact O-N 2.89Å; D119-Y122 PolarHBondContact OD2-N 2.86Å; D119-M123 WeakPolarHBondContact O-CG 3.39Å; D119-M123 PolarHBondContact O-N 3.27Å
120	V	89.4	Confident	82.9	Confident	3 Å²	3	38 Å²	38	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-38.1	-171.2	-175	0	0	0	0	111.3	N31 C34 D118 M123 A124 A148 F152	N31-V120 HydrophobicContact CB-CG2 4.12Å; C34-V120 HydrophobicContact CB-CG1 3.67Å; D118-V120 PolarHBondContact O-N 3.47Å; V120-M123 PolarHBondContact O-N 3.27Å; V120-A124 PolarHBondContact O-N 3.09Å; V120-A148 HydrophobicContact CG1-CB 3.75Å; V120-A148 WeakPolarHBondContact CG1-O 3.36Å; V120-F152 HydrophobicContact CG1-CB 4.42Å; V120-F152 HydrophobicContact CG2-CB 4.13Å; V120-F152 HydrophobicContact CG2-CD1 4.44Å; V120-F152 HydrophobicContact CG2-CD2 3.51Å; V120-F152 HydrophobicContact CG2-CE2 3.91Å; V120-F152 HydrophobicContact CG2-CG 3.78Å
121	A	84.8	Confident	82.6	Confident	20 Å²	20	36.1 Å²	36.1	17%	0.165	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-41.7	174.3	0	0	0	0	0	112	D119 K125 A145	D119-A121 PolarHBondContact O-N 2.82Å; D119-A121 WeakPolarHBondContact OD2-CB 3.43Å; A121-K125 WeakPolarHBondContact O-CG 3.09Å; A121-K125 PolarHBondContact O-N 3.15Å; A121-A145 HydrophobicContact CB-CB 4.02Å
122	Y	88.9	Confident	82.2	Confident	64 Å²	64	31.5 Å²	31.5	25%	0.251	17%	0.172	S	C	.	.	H	α-helix	trans	-65.8	-42.1	172.4	177.4	-107.9	0	0	0	112.7	E103 Y104 Y107 D118 D119 A124 K125 C126	E103-Y122 PolarHBondContact O-OH 2.81Å; Y104-Y122 HydrophobicContact CD1-CE2 4.2Å; Y104-Y122 HydrophobicContact CE1-CE2 4.36Å; Y107-Y122 HydrophobicContact CE2-CD1 4.43Å; Y107-Y122 HydrophobicContact CE2-CE1 4.05Å; D118-Y122 HydrophobicContact CB-CD1 4.46Å; D119-Y122 PolarHBondContact O-N 2.89Å; D119-Y122 PolarHBondContact OD2-N 2.86Å; Y122-A124 VanDerWaalsContact C-N 3.34Å; Y122-A124 PolarHBondContact O-N 3.04Å; Y122-K125 PolarHBondContact O-N 3.19Å; Y122-C126 VanDerWaalsContact CZ-SG 3.56Å; Y122-C126 PolarHBondContact O-N 3.17Å
123	M	90.1	Very high	81.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-38.6	177.5	-74.2	-175.8	60.2	0	0	112.4	N31 A32 A35 Y107 F113 A116 D118 D119 V120 K125 C126 F127	N31-M123 HydrophobicContact CB-CE 4.27Å; N31-M123 HydrophobicContact CB-SD 3.71Å; A32-M123 HydrophobicContact CB-CE 3.89Å; A35-M123 HydrophobicContact CB-CB 3.73Å; Y107-M123 HydrophobicContact CE2-CG 4.16Å; F113-M123 HydrophobicContact CD2-CE 4.38Å; F113-M123 HydrophobicContact CE2-CB 4.38Å; F113-M123 HydrophobicContact CE2-CE 4.06Å; F113-M123 HydrophobicContact CZ-CE 4.25Å; A116-M123 HydrophobicContact CB-CE 3.61Å; A116-M123 HydrophobicContact CB-SD 3.95Å; D118-M123 HydrophobicContact CB-CG 4.08Å; D118-M123 HydrophobicContact CB-SD 4.25Å; D119-M123 WeakPolarHBondContact O-CG 3.39Å; D119-M123 PolarHBondContact O-N 3.27Å; V120-M123 PolarHBondContact O-N 3.27Å; M123-K125 VanDerWaalsContact C-N 3.34Å; M123-K125 PolarHBondContact O-N 2.77Å; M123-C126 WeakPolarHBondContact O-CB 3.31Å; M123-C126 PolarHBondContact O-N 2.85Å; M123-F127 WeakPolarHBondContact O-CB 3.35Å; M123-F127 PolarHBondContact O-N 3.1Å
124	A	86	Confident	80.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-42.7	173.8	0	0	0	0	0	111.7	A35 V120 Y122 F127 V128 A148	A35-A124 HydrophobicContact CB-CB 4.41Å; V120-A124 PolarHBondContact O-N 3.09Å; Y122-A124 VanDerWaalsContact C-N 3.34Å; Y122-A124 PolarHBondContact O-N 3.04Å; A124-F127 WeakPolarHBondContact O-CB 3.39Å; A124-F127 PolarHBondContact O-N 2.92Å; A124-V128 WeakPolarHBondContact O-CG2 3.45Å; A124-V128 PolarHBondContact O-N 2.93Å; A124-V128 VanDerWaalsContact O-N 3.16Å; A124-A148 HydrophobicContact CB-CB 3.72Å
125	K	86.2	Confident	79.6	Confident	41 Å²	41	41.5 Å²	41.5	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-43.4	175	-65.1	175.4	-178.8	-178	0	111.7	Y104 A121 Y122 M123 F127 V128 Y129 L141 E142	Y104-K125 HydrophobicContact CD1-CB 4.11Å; Y104-K125 HydrophobicContact CE1-CB 3.7Å; Y104-K125 HydrophobicContact CE1-CD 4.47Å; A121-K125 WeakPolarHBondContact O-CG 3.09Å; A121-K125 PolarHBondContact O-N 3.15Å; Y122-K125 PolarHBondContact O-N 3.19Å; M123-K125 VanDerWaalsContact C-N 3.34Å; M123-K125 PolarHBondContact O-N 2.77Å; K125-F127 VanDerWaalsContact C-N 3.25Å; K125-F127 PolarHBondContact O-N 2.87Å; K125-V128 PolarHBondContact O-N 2.88Å; K125-Y129 WeakPolarHBondContact O-CD2 3.39Å; K125-Y129 PolarHBondContact O-N 2.84Å; K125-L141 HydrophobicContact CB-CD2 4.23Å; K125-L141 HydrophobicContact CD-CD2 3.86Å; K125-L141 HydrophobicContact CG-CD2 3.7Å; K125-L141 HydrophobicContact CG-CG 4.12Å; K125-E142 IonicContact NZ-OE1 3.87Å; K125-E142 PolarHBondContact NZ-OE1 3.33Å
126	C	83.9	Confident	78.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-36.4	172.1	-83.3	0	0	0	0	112.4	Y104 Y107 Y122 M123 Y129 C130	Y104-C126 PolarHBondContact O-SG 2.98Å; Y107-C126 HydrophobicContact CD2-CB 3.83Å; Y122-C126 VanDerWaalsContact CZ-SG 3.56Å; Y122-C126 PolarHBondContact O-N 3.17Å; M123-C126 WeakPolarHBondContact O-CB 3.31Å; M123-C126 PolarHBondContact O-N 2.85Å; C126-Y129 PolarHBondContact O-N 3.42Å; C126-C130 WeakPolarHBondContact O-CB 3.32Å; C126-C130 PolarHBondContact O-N 2.82Å; C126-C130 PolarHBondContact O-SG 2.85Å
127	F	80.8	Confident	77.8	Confident	11 Å²	11	42.3 Å²	42.3	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-45.9	179.2	-170.8	-87.4	0	0	0	111.8	M36 N39 W67 F113 M123 A124 K125 Y129 C130 Y131 E132	M36-F127 HydrophobicContact CG-CE2 4.3Å; M36-F127 HydrophobicContact CG-CZ 4.14Å; N39-F127 HydrophobicContact CB-CD1 4.03Å; N39-F127 HydrophobicContact CB-CE1 4.12Å; N39-F127 WeakPolarHBondContact ND2-CD1 3.14Å; W67-F127 HydrophobicContact CH2-CE1 4.43Å; W67-F127 HydrophobicContact CH2-CZ 4.3Å; W67-F127 HydrophobicContact CZ2-CZ 4.47Å; F113-F127 HydrophobicContact CD1-CD2 4.29Å; F113-F127 HydrophobicContact CD2-CD2 4.49Å; F113-F127 AromaticContact CE1-CD2 3.62Å; F113-F127 HydrophobicContact CE1-CD2 3.62Å; F113-F127 HydrophobicContact CE1-CE2 4.04Å; F113-F127 HydrophobicContact CE2-CB 3.93Å; F113-F127 AromaticContact CE2-CD2 3.84Å; F113-F127 HydrophobicContact CE2-CD2 3.84Å; F113-F127 HydrophobicContact CE2-CG 4.39Å; F113-F127 HydrophobicContact CZ-CB 4.02Å; F113-F127 AromaticContact CZ-CD2 3.36Å; F113-F127 HydrophobicContact CZ-CD2 3.36Å; F113-F127 HydrophobicContact CZ-CE2 4.22Å; F113-F127 HydrophobicContact CZ-CG 4.11Å; M123-F127 WeakPolarHBondContact O-CB 3.35Å; M123-F127 PolarHBondContact O-N 3.1Å; A124-F127 WeakPolarHBondContact O-CB 3.39Å; A124-F127 PolarHBondContact O-N 2.92Å; K125-F127 VanDerWaalsContact C-N 3.25Å; K125-F127 PolarHBondContact O-N 2.87Å; F127-Y129 PolarHBondContact O-N 3.19Å; F127-C130 PolarHBondContact O-N 2.75Å; F127-Y131 HydrophobicContact CB-CD2 4.41Å; F127-Y131 AromaticContact CD2-CD2 3.53Å; F127-Y131 HydrophobicContact CD2-CD2 3.53Å; F127-Y131 HydrophobicContact CD2-CE2 4.25Å; F127-Y131 HydrophobicContact CD2-CG 4.26Å; F127-Y131 AromaticContact CE2-CD2 3.99Å; F127-Y131 HydrophobicContact CE2-CD2 3.99Å; F127-Y131 HydrophobicContact CE2-CG 4.34Å; F127-Y131 HydrophobicContact CG-CD2 4.03Å; F127-Y131 WeakPolarHBondContact O-CA 3.25Å; F127-Y131 VanDerWaalsContact O-CB 3.3Å; F127-Y131 WeakPolarHBondContact O-CB 3.33Å; F127-Y131 PolarHBondContact O-N 3.34Å; F127-E132 PolarHBondContact O-N 2.95Å
128	V	79.4	Confident	76.9	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.221	C	C	.	.	I	π-helix	trans	-56.6	-48.1	175.7	178.2	0	0	0	0	111.4	N39 A124 K125 E132 R133 P134 P137 L141	N39-V128 WeakPolarHBondContact OD1-CG2 3.4Å; A124-V128 WeakPolarHBondContact O-CG2 3.45Å; A124-V128 PolarHBondContact O-N 2.93Å; A124-V128 VanDerWaalsContact O-N 3.16Å; K125-V128 PolarHBondContact O-N 2.88Å; V128-E132 PolarHBondContact O-N 2.99Å; V128-R133 PolarHBondContact O-N 3.01Å; V128-P134 HydrophobicContact CG1-CG 3.66Å; V128-P137 HydrophobicContact CG1-CB 4.02Å; V128-L141 HydrophobicContact CG1-CD1 4.12Å
129	Y	74.3	Confident	75.9	Confident	53 Å²	53	43.2 Å²	43.2	21%	0.208	24%	0.24	C	C	.	.	I	π-helix	trans	-78.5	-30.6	-175.7	-80.2	-71	0	0	0	114.6	V100 P101 Y104 K125 C126 F127 P137 L141	V100-Y129 WeakPolarHBondContact CG2-O 3.18Å; P101-Y129 HydrophobicContact CG-CD1 4.02Å; P101-Y129 HydrophobicContact CG-CE1 3.8Å; Y104-Y129 HydrophobicContact CD1-CD2 4.08Å; Y104-Y129 HydrophobicContact CD2-CD1 4.41Å; Y104-Y129 AromaticContact CD2-CD2 3.21Å; Y104-Y129 HydrophobicContact CD2-CD2 3.21Å; Y104-Y129 AromaticContact CD2-CE2 3.41Å; Y104-Y129 HydrophobicContact CD2-CE2 3.41Å; Y104-Y129 VanDerWaalsContact CD2-CE2 3.41Å; Y104-Y129 AromaticContact CD2-CG 3.76Å; Y104-Y129 HydrophobicContact CD2-CG 3.76Å; Y104-Y129 HydrophobicContact CE1-CD2 4.38Å; Y104-Y129 HydrophobicContact CE1-CE2 4.47Å; Y104-Y129 AromaticContact CE2-CD2 3.6Å; Y104-Y129 HydrophobicContact CE2-CD2 3.6Å; Y104-Y129 AromaticContact CE2-CE2 3.28Å; Y104-Y129 HydrophobicContact CE2-CE2 3.28Å; Y104-Y129 HydrophobicContact CE2-CG 4.48Å; Y104-Y129 AromaticContact CE2-CZ 3.96Å; Y104-Y129 AromaticContact CG-CD2 3.5Å; Y104-Y129 HydrophobicContact CG-CD2 3.5Å; Y104-Y129 HydrophobicContact CG-CE2 4.11Å; Y104-Y129 HydrophobicContact CG-CG 4.05Å; Y104-Y129 AromaticContact CZ-CE2 3.87Å; K125-Y129 WeakPolarHBondContact O-CD2 3.39Å; K125-Y129 PolarHBondContact O-N 2.84Å; C126-Y129 PolarHBondContact O-N 3.42Å; F127-Y129 PolarHBondContact O-N 3.19Å; Y129-P137 HydrophobicContact CE1-CB 4.26Å; Y129-P137 HydrophobicContact CE1-CG 3.83Å; Y129-L141 HydrophobicContact CD2-CD1 4.4Å; Y129-L141 HydrophobicContact CE2-CD1 3.64Å; Y129-L141 HydrophobicContact CE2-CD2 4.13Å
130	C	70.2	Confident	75.1	Confident	10 Å²	10	40.7 Å²	40.7	7%	0.068	23%	0.228	C	C	.	.	I	π-helix	trans	-85.4	-40.7	-179.8	-73.9	0	0	0	0	112.9	Y104 Y107 C126 F127 R133	Y104-C130 PolarHBondContact O-SG 2.77Å; Y107-C130 PolarHBondContact O-SG 3.3Å; Y107-C130 VanDerWaalsContact O-SG 3.35Å; C126-C130 WeakPolarHBondContact O-CB 3.32Å; C126-C130 PolarHBondContact O-N 2.82Å; C126-C130 PolarHBondContact O-SG 2.85Å; F127-C130 PolarHBondContact O-N 2.75Å; C130-R133 PolarHBondContact O-NE 3.47Å
131	Y	71.4	Confident	74.6	Confident	37 Å²	37	41.6 Å²	41.6	15%	0.145	23%	0.233	C	C	.	.	I	π-helix	trans	-114.4	-48.7	-163.6	-64	-64.6	0	0	0	113	W67 Y107 T109 M110 F113 F127	W67-Y131 VanDerWaalsContact CH2-C 3.45Å; W67-Y131 VanDerWaalsContact CH2-CB 3.48Å; W67-Y131 WeakPolarHBondContact CH2-O 3.39Å; W67-Y131 VanDerWaalsContact CZ3-CB 3.45Å; W67-Y131 HydrophobicContact CZ3-CD1 4.2Å; W67-Y131 HydrophobicContact CZ3-CG 4.23Å; W67-Y131 WeakPolarHBondContact CZ3-O 3.44Å; Y107-Y131 PolarHBondContact O-OH 2.89Å; T109-Y131 PolarHBondContact O-OH 2.77Å; M110-Y131 VanDerWaalsContact CA-OH 3.28Å; M110-Y131 WeakPolarHBondContact CA-OH 3.18Å; M110-Y131 HydrophobicContact CB-CE1 4.35Å; M110-Y131 PolarHBondContact N-OH 3.17Å; M110-Y131 VanDerWaalsContact N-OH 3.13Å; M110-Y131 HydrophobicContact SD-CD1 4.34Å; M110-Y131 HydrophobicContact SD-CE1 3.82Å; M110-Y131 HydrophobicContact SD-CE2 4.38Å; F113-Y131 HydrophobicContact CB-CE2 3.88Å; F113-Y131 WeakPolarHBondContact CB-OH 3.44Å; F113-Y131 HydrophobicContact CD1-CE2 4.45Å; F113-Y131 AromaticContact CD2-CE2 3.86Å; F113-Y131 HydrophobicContact CD2-CE2 3.86Å; F113-Y131 AromaticContact CG-CE2 3.79Å; F113-Y131 HydrophobicContact CG-CE2 3.79Å; F127-Y131 HydrophobicContact CB-CD2 4.41Å; F127-Y131 AromaticContact CD2-CD2 3.53Å; F127-Y131 HydrophobicContact CD2-CD2 3.53Å; F127-Y131 HydrophobicContact CD2-CE2 4.25Å; F127-Y131 HydrophobicContact CD2-CG 4.26Å; F127-Y131 AromaticContact CE2-CD2 3.99Å; F127-Y131 HydrophobicContact CE2-CD2 3.99Å; F127-Y131 HydrophobicContact CE2-CG 4.34Å; F127-Y131 HydrophobicContact CG-CD2 4.03Å; F127-Y131 WeakPolarHBondContact O-CA 3.25Å; F127-Y131 VanDerWaalsContact O-CB 3.3Å; F127-Y131 WeakPolarHBondContact O-CB 3.33Å; F127-Y131 PolarHBondContact O-N 3.34Å
132	E	64.1	Low	74.4	Confident	37 Å²	37	45.5 Å²	45.5	17%	0.173	25%	0.248	C	C	.	.	I	π-helix	trans	-85	-36.7	-171.9	-159.6	-179.8	-123.4	0	0	113.6	E43 F127 V128 P134 R144	E43-E132 VanDerWaalsContact OE1-CD 3.28Å; E43-E132 VanDerWaalsContact OE1-OE1 3.11Å; F127-E132 PolarHBondContact O-N 2.95Å; V128-E132 PolarHBondContact O-N 2.99Å; E132-P134 VanDerWaalsContact C-CD 3.47Å; E132-R144 IonicContact OE1-CZ 2.67Å; E132-R144 IonicContact OE1-NH1 3.95Å; E132-R144 PolarHBondContact OE1-NH1 2.84Å; E132-R144 IonicContact OE1-NH2 2.77Å; E132-R144 PolarHBondContact OE1-NH2 2.93Å; E132-R144 IonicContact OE2-CZ 3.41Å; E132-R144 IonicContact OE2-NE 3.58Å; E132-R144 IonicContact OE2-NH1 2.88Å; E132-R144 PolarHBondContact OE2-NH1 3.45Å; E132-R144 IonicContact OE2-NH2 2.95Å; E132-R144 PolarHBondContact OE2-NH2 2.76Å
133	R	67.7	Low	73.6	Confident	148 Å²	148	45.1 Å²	45.1	56%	0.558	25%	0.25	S	S	*	.			trans	44.5	52.9	176	-57.8	-173.6	-178.1	176.9	4.1	115.3	V128 C130	V128-R133 PolarHBondContact O-N 3.01Å; C130-R133 PolarHBondContact O-NE 3.47Å
134	P	63.6	Low	73	Confident	29 Å²	29	45.4 Å²	45.4	19%	0.188	25%	0.251	C	S	.	.			trans	-64.4	150.7	176.4	27.5	-34.1	0	0	0	111.7	V128 E132 D136 P137	V128-P134 HydrophobicContact CG1-CG 3.66Å; E132-P134 VanDerWaalsContact C-CD 3.47Å; P134-D136 PolarHBondContact O-N 2.84Å; P134-P137 HydrophobicContact CG-CB 4.16Å; P134-P137 HydrophobicContact CG-CG 4.15Å
135	A	59.9	Low	72.9	Confident	76 Å²	76	45.6 Å²	45.6	63%	0.628	25%	0.253	S	S	*	.	S	Bend	trans	-60.7	-29	-177.9	0	0	0	0	0	113.7
136	D	67.6	Low	72.5	Confident	101 Å²	101	48.1 Å²	48.1	54%	0.54	26%	0.264	S	S	.	.			trans	-139.8	94.5	171.4	-173	-1.3	0	0	0	110.5	P134 S138	P134-D136 PolarHBondContact O-N 2.84Å; D136-S138 PolarHBondContact O-N 2.88Å; D136-S138 WeakPolarHBondContact OD1-CB 3.5Å; D136-S138 PolarHBondContact OD1-N 3.43Å; D136-S138 VanDerWaalsContact OD1-N 3.1Å; D136-S138 PolarHBondContact OD1-OG 3.3Å
137	P	65.1	Low	72	Confident	17 Å²	17	50.9 Å²	50.9	11%	0.11	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.9	-19.4	179.6	-15.8	28.3	0	0	0	113.5	V128 Y129 P134 A139 T140 L141	V128-P137 HydrophobicContact CG1-CB 4.02Å; Y129-P137 HydrophobicContact CE1-CB 4.26Å; Y129-P137 HydrophobicContact CE1-CG 3.83Å; P134-P137 HydrophobicContact CG-CB 4.16Å; P134-P137 HydrophobicContact CG-CG 4.15Å; P137-A139 VanDerWaalsContact C-N 3.3Å; P137-A139 PolarHBondContact O-N 2.85Å; P137-T140 PolarHBondContact O-N 2.92Å; P137-L141 HydrophobicContact CB-CD1 3.46Å; P137-L141 VanDerWaalsContact CB-CD1 3.46Å; P137-L141 WeakPolarHBondContact O-CB 3.38Å; P137-L141 WeakPolarHBondContact O-CD1 3.4Å; P137-L141 PolarHBondContact O-N 3.46Å
138	S	66.7	Low	72.1	Confident	91 Å²	91	50.4 Å²	50.4	64%	0.636	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.3	-25	-160.8	64.7	0	0	0	0	114.1	D136	D136-S138 PolarHBondContact O-N 2.88Å; D136-S138 WeakPolarHBondContact OD1-CB 3.5Å; D136-S138 PolarHBondContact OD1-N 3.43Å; D136-S138 VanDerWaalsContact OD1-N 3.1Å; D136-S138 PolarHBondContact OD1-OG 3.3Å
139	A	65.8	Low	72.2	Confident	76 Å²	76	53.3 Å²	53.3	63%	0.628	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-81.6	-19.1	-178.3	0	0	0	0	0	114.6	P137	P137-A139 VanDerWaalsContact C-N 3.3Å; P137-A139 PolarHBondContact O-N 2.85Å
140	T	71	Confident	72	Confident	40 Å²	40	52.8 Å²	52.8	25%	0.245	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-4.4	-175.6	58.4	0	0	0	0	113.5	I42 P137 E142 D143 R144	I42-T140 HydrophobicContact CG2-CG2 4.32Å; P137-T140 PolarHBondContact O-N 2.92Å; T140-E142 PolarHBondContact O-N 3.22Å; T140-D143 PolarHBondContact O-N 3.13Å; T140-R144 WeakPolarHBondContact O-CB 3.43Å; T140-R144 WeakPolarHBondContact O-CD 3.46Å; T140-R144 WeakPolarHBondContact O-CG 3.37Å; T140-R144 PolarHBondContact O-N 2.61Å; T140-R144 PolarHBondContact OG1-NE 2.78Å
141	L	78.5	Confident	72.1	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-39.3	-171.4	-138.5	100.7	0	0	0	113.7	K125 V128 Y129 P137 A145	K125-L141 HydrophobicContact CB-CD2 4.23Å; K125-L141 HydrophobicContact CD-CD2 3.86Å; K125-L141 HydrophobicContact CG-CD2 3.7Å; K125-L141 HydrophobicContact CG-CG 4.12Å; V128-L141 HydrophobicContact CG1-CD1 4.12Å; Y129-L141 HydrophobicContact CD2-CD1 4.4Å; Y129-L141 HydrophobicContact CE2-CD1 3.64Å; Y129-L141 HydrophobicContact CE2-CD2 4.13Å; P137-L141 HydrophobicContact CB-CD1 3.46Å; P137-L141 VanDerWaalsContact CB-CD1 3.46Å; P137-L141 WeakPolarHBondContact O-CB 3.38Å; P137-L141 WeakPolarHBondContact O-CD1 3.4Å; P137-L141 PolarHBondContact O-N 3.46Å; L141-A145 PolarHBondContact O-N 3.17Å
142	E	80.6	Confident	72.6	Confident	102 Å²	102	52.7 Å²	52.7	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-77	-38.2	178.5	-94.3	-54.4	148.1	0	0	112.3	K125 T140 A145 K146	K125-E142 IonicContact NZ-OE1 3.87Å; K125-E142 PolarHBondContact NZ-OE1 3.33Å; T140-E142 PolarHBondContact O-N 3.22Å; E142-A145 WeakPolarHBondContact O-CB 3.48Å; E142-A145 PolarHBondContact O-N 3.41Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.42Å
143	D	73.2	Confident	72.9	Confident	57 Å²	57	53.5 Å²	53.5	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-70	-37.7	-179.5	-59.8	-36.7	0	0	0	111.1	I42 T140 A145 K146 Y147	I42-D143 HydrophobicContact CD1-CB 3.66Å; T140-D143 PolarHBondContact O-N 3.13Å; D143-A145 VanDerWaalsContact C-N 3.28Å; D143-A145 PolarHBondContact O-N 3.09Å; D143-K146 PolarHBondContact O-N 3.01Å; D143-K146 IonicContact OD1-NZ 3.94Å; D143-K146 PolarHBondContact OD1-NZ 2.94Å; D143-Y147 HydrophobicContact CB-CE2 4.36Å; D143-Y147 WeakPolarHBondContact O-CD2 3.16Å; D143-Y147 PolarHBondContact O-N 3.21Å
144	R	78	Confident	72.7	Confident	5 Å²	5	47 Å²	47	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-38.4	170.6	-69	165.9	179.7	-90	8.6	112.1	N39 I42 E43 E132 T140 A148	N39-R144 VanDerWaalsContact OD1-CD 3.22Å; N39-R144 WeakPolarHBondContact OD1-CD 3.45Å; N39-R144 PolarHBondContact OD1-NH1 3.18Å; I42-R144 HydrophobicContact CB-CG 4.25Å; I42-R144 HydrophobicContact CD1-CB 4.3Å; I42-R144 HydrophobicContact CD1-CG 3.47Å; I42-R144 VanDerWaalsContact CD1-CG 3.47Å; I42-R144 HydrophobicContact CG1-CG 4.41Å; I42-R144 HydrophobicContact CG2-CG 4.35Å; E43-R144 IonicContact OE1-CZ 3.77Å; E43-R144 IonicContact OE1-NH2 2.69Å; E43-R144 PolarHBondContact OE1-NH2 2.98Å; E132-R144 IonicContact OE1-CZ 2.67Å; E132-R144 IonicContact OE1-NH1 3.95Å; E132-R144 PolarHBondContact OE1-NH1 2.84Å; E132-R144 IonicContact OE1-NH2 2.77Å; E132-R144 PolarHBondContact OE1-NH2 2.93Å; E132-R144 IonicContact OE2-CZ 3.41Å; E132-R144 IonicContact OE2-NE 3.58Å; E132-R144 IonicContact OE2-NH1 2.88Å; E132-R144 PolarHBondContact OE2-NH1 3.45Å; E132-R144 IonicContact OE2-NH2 2.95Å; E132-R144 PolarHBondContact OE2-NH2 2.76Å; T140-R144 WeakPolarHBondContact O-CB 3.43Å; T140-R144 WeakPolarHBondContact O-CD 3.46Å; T140-R144 WeakPolarHBondContact O-CG 3.37Å; T140-R144 PolarHBondContact O-N 2.61Å; T140-R144 PolarHBondContact OG1-NE 2.78Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 2.99Å
145	A	82.6	Confident	72.8	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-40.7	175.9	0	0	0	0	0	112.1	A121 L141 E142 D143 A148 Q149	A121-A145 HydrophobicContact CB-CB 4.02Å; L141-A145 PolarHBondContact O-N 3.17Å; E142-A145 WeakPolarHBondContact O-CB 3.48Å; E142-A145 PolarHBondContact O-N 3.41Å; D143-A145 VanDerWaalsContact C-N 3.28Å; D143-A145 PolarHBondContact O-N 3.09Å; A145-A148 PolarHBondContact O-N 3.41Å; A145-Q149 PolarHBondContact O-N 2.88Å; A145-Q149 VanDerWaalsContact O-N 3.11Å
146	K	78.2	Confident	73.2	Confident	95 Å²	95	48.4 Å²	48.4	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-44.5	174.2	-69.1	172.5	-167.1	158.2	0	112.3	E142 D143 Q149 Y150 I171	E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.42Å; D143-K146 PolarHBondContact O-N 3.01Å; D143-K146 IonicContact OD1-NZ 3.94Å; D143-K146 PolarHBondContact OD1-NZ 2.94Å; K146-Q149 WeakPolarHBondContact O-CB 3.33Å; K146-Q149 PolarHBondContact O-N 3.31Å; K146-Y150 PolarHBondContact O-N 2.63Å; K146-I171 HydrophobicContact CD-CD1 4.41Å
147	Y	74.3	Confident	72.5	Confident	58 Å²	58	46.5 Å²	46.5	23%	0.227	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-40	177.3	-74.2	-62.8	0	0	0	112.1	T41 I42 D143 Q149 Y150 Y151 L168	T41-Y147 HydrophobicContact CG2-CD1 3.64Å; T41-Y147 HydrophobicContact CG2-CD2 4.41Å; T41-Y147 HydrophobicContact CG2-CE1 3.76Å; T41-Y147 HydrophobicContact CG2-CG 4Å; I42-Y147 HydrophobicContact CD1-CD2 3.65Å; I42-Y147 HydrophobicContact CD1-CE2 3.69Å; I42-Y147 HydrophobicContact CG1-CD2 3.81Å; I42-Y147 HydrophobicContact CG1-CE2 3.65Å; D143-Y147 HydrophobicContact CB-CE2 4.36Å; D143-Y147 WeakPolarHBondContact O-CD2 3.16Å; D143-Y147 PolarHBondContact O-N 3.21Å; Y147-Q149 VanDerWaalsContact C-N 3.3Å; Y147-Q149 PolarHBondContact O-N 2.96Å; Y147-Y150 WeakPolarHBondContact O-CB 3.3Å; Y147-Y150 PolarHBondContact O-N 3.39Å; Y147-Y151 WeakPolarHBondContact O-CD2 3.25Å; Y147-Y151 PolarHBondContact O-N 3.02Å; Y147-Y151 VanDerWaalsContact O-N 3.13Å; Y147-L168 HydrophobicContact CE1-CD2 4.11Å
148	A	81.4	Confident	71.6	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-39	175.8	0	0	0	0	0	112	C34 V120 A124 R144 A145 F152	C34-A148 WeakPolarHBondContact O-CA 3.4Å; V120-A148 HydrophobicContact CG1-CB 3.75Å; V120-A148 WeakPolarHBondContact CG1-O 3.36Å; A124-A148 HydrophobicContact CB-CB 3.72Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 2.99Å; A145-A148 PolarHBondContact O-N 3.41Å; A148-F152 PolarHBondContact O-N 3.3Å
149	Q	81.2	Confident	70.4	Confident	63 Å²	63	52.7 Å²	52.7	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-36.1	174	-151	72.7	28.6	0	0	112.5	A145 K146 Y147 F152 N153	A145-Q149 PolarHBondContact O-N 2.88Å; A145-Q149 VanDerWaalsContact O-N 3.11Å; K146-Q149 WeakPolarHBondContact O-CB 3.33Å; K146-Q149 PolarHBondContact O-N 3.31Å; Y147-Q149 VanDerWaalsContact C-N 3.3Å; Y147-Q149 PolarHBondContact O-N 2.96Å; Q149-F152 PolarHBondContact O-N 2.91Å; Q149-N153 VanDerWaalsContact O-CG 3.31Å; Q149-N153 PolarHBondContact O-N 2.93Å; Q149-N153 VanDerWaalsContact O-N 3.13Å; Q149-N153 PolarHBondContact O-ND2 3.39Å
150	Y	71.8	Confident	69.3	Low	42 Å²	42	52.7 Å²	52.7	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-51.2	175.1	166.4	-89.7	0	0	0	111.6	K146 Y147 F152 N153 L154 A164 L168	K146-Y150 PolarHBondContact O-N 2.63Å; Y147-Y150 WeakPolarHBondContact O-CB 3.3Å; Y147-Y150 PolarHBondContact O-N 3.39Å; Y150-F152 VanDerWaalsContact C-N 3.3Å; Y150-F152 PolarHBondContact O-N 2.86Å; Y150-N153 PolarHBondContact O-N 3.36Å; Y150-L154 HydrophobicContact CE1-CD2 4.42Å; Y150-L154 WeakPolarHBondContact O-CB 3.16Å; Y150-L154 PolarHBondContact O-N 2.86Å; Y150-A164 HydrophobicContact CE2-CB 3.87Å; Y150-L168 HydrophobicContact CE2-CD1 3.93Å; Y150-L168 HydrophobicContact CE2-CG 4.43Å
151	Y	71.5	Confident	68	Low	8 Å²	8	54.3 Å²	54.3	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-33.8	179	-71	-69.5	0	0	0	113.4	L37 T41 Y147 L154 L155	L37-Y151 HydrophobicContact CB-CD1 4.28Å; L37-Y151 HydrophobicContact CB-CD2 3.46Å; L37-Y151 VanDerWaalsContact CB-CD2 3.46Å; L37-Y151 HydrophobicContact CB-CE2 3.76Å; L37-Y151 HydrophobicContact CB-CG 3.75Å; L37-Y151 HydrophobicContact CD1-CD1 3.94Å; L37-Y151 HydrophobicContact CD1-CD2 4.48Å; L37-Y151 HydrophobicContact CD1-CG 3.9Å; L37-Y151 HydrophobicContact CD2-CD1 4.49Å; L37-Y151 HydrophobicContact CD2-CE1 4.3Å; L37-Y151 HydrophobicContact CG-CD2 4.48Å; L37-Y151 HydrophobicContact CG-CG 4.36Å; L37-Y151 WeakPolarHBondContact O-CE2 3.47Å; T41-Y151 WeakPolarHBondContact OG1-CE2 3.4Å; T41-Y151 VanDerWaalsContact OG1-CZ 3.29Å; T41-Y151 PolarHBondContact OG1-OH 3.36Å; Y147-Y151 WeakPolarHBondContact O-CD2 3.25Å; Y147-Y151 PolarHBondContact O-N 3.02Å; Y147-Y151 VanDerWaalsContact O-N 3.13Å; Y151-L154 HydrophobicContact CD1-CD2 4.33Å; Y151-L154 PolarHBondContact O-N 3.34Å; Y151-L155 WeakPolarHBondContact O-CB 3.25Å; Y151-L155 WeakPolarHBondContact O-CG 3.12Å; Y151-L155 PolarHBondContact O-N 3.47Å
152	F	81.2	Confident	66.3	Low	37 Å²	37	57.4 Å²	57.4	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-44.9	176.5	-173.1	-100.1	0	0	0	111.7	I30 C34 V120 A148 Q149 Y150 L154 L155 Q156	I30-F152 HydrophobicContact CG2-CE2 4.09Å; C34-F152 HydrophobicContact CB-CB 4.22Å; C34-F152 VanDerWaalsContact SG-CA 3.56Å; V120-F152 HydrophobicContact CG1-CB 4.42Å; V120-F152 HydrophobicContact CG2-CB 4.13Å; V120-F152 HydrophobicContact CG2-CD1 4.44Å; V120-F152 HydrophobicContact CG2-CD2 3.51Å; V120-F152 HydrophobicContact CG2-CE2 3.91Å; V120-F152 HydrophobicContact CG2-CG 3.78Å; A148-F152 PolarHBondContact O-N 3.3Å; Q149-F152 PolarHBondContact O-N 2.91Å; Y150-F152 VanDerWaalsContact C-N 3.3Å; Y150-F152 PolarHBondContact O-N 2.86Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L155 PolarHBondContact O-N 3.09Å; F152-Q156 HydrophobicContact CE1-CG 4.26Å; F152-Q156 HydrophobicContact CZ-CG 4.32Å; F152-Q156 WeakPolarHBondContact O-CB 3.29Å; F152-Q156 WeakPolarHBondContact O-CG 3.46Å; F152-Q156 PolarHBondContact O-N 2.89Å; F152-Q156 VanDerWaalsContact O-N 3.11Å
153	N	71.3	Confident	64.6	Low	53 Å²	53	57.7 Å²	57.7	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-37.3	176.1	-64.9	-21.4	0	0	0	111.9	Q149 Y150	Q149-N153 VanDerWaalsContact O-CG 3.31Å; Q149-N153 PolarHBondContact O-N 2.93Å; Q149-N153 VanDerWaalsContact O-N 3.13Å; Q149-N153 PolarHBondContact O-ND2 3.39Å; Y150-N153 PolarHBondContact O-N 3.36Å
154	L	63.7	Low	63	Low	11 Å²	11	55.3 Å²	55.3	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-43.9	177.1	-167.4	80.2	0	0	0	111.9	Y13 Y150 Y151 F152	Y13-L154 HydrophobicContact CD2-CD1 4Å; Y13-L154 HydrophobicContact CD2-CD2 4.01Å; Y13-L154 HydrophobicContact CD2-CG 3.78Å; Y13-L154 HydrophobicContact CE2-CG 4.18Å; Y150-L154 HydrophobicContact CE1-CD2 4.42Å; Y150-L154 WeakPolarHBondContact O-CB 3.16Å; Y150-L154 PolarHBondContact O-N 2.86Å; Y151-L154 HydrophobicContact CD1-CD2 4.33Å; Y151-L154 PolarHBondContact O-N 3.34Å; F152-L154 VanDerWaalsContact C-N 3.34Å
155	L	65.8	Low	61.4	Low	26 Å²	26	58.4 Å²	58.4	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-79.4	-18.2	-178.2	-76.6	162.1	0	0	0	113.8	Q17 A20 I30 L37 Y151 F152	Q17-L155 VanDerWaalsContact OE1-CD2 3.3Å; A20-L155 HydrophobicContact CB-CD2 4.03Å; I30-L155 HydrophobicContact CD1-CB 4.33Å; L37-L155 HydrophobicContact CD1-CD1 4.35Å; Y151-L155 WeakPolarHBondContact O-CB 3.25Å; Y151-L155 WeakPolarHBondContact O-CG 3.12Å; Y151-L155 PolarHBondContact O-N 3.47Å; F152-L155 PolarHBondContact O-N 3.09Å
156	Q	68.3	Low	59.7	Low	109 Å²	109	60.6 Å²	60.6	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7	175.1	-73.6	-134.7	-4	0	0	114.4	F152	F152-Q156 HydrophobicContact CE1-CG 4.26Å; F152-Q156 HydrophobicContact CZ-CG 4.32Å; F152-Q156 WeakPolarHBondContact O-CB 3.29Å; F152-Q156 WeakPolarHBondContact O-CG 3.46Å; F152-Q156 PolarHBondContact O-N 2.89Å; F152-Q156 VanDerWaalsContact O-N 3.11Å
157	G	52.6	Low	58	Low	62 Å²	62	59.6 Å²	59.6	64%	0.639	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	13	174.3	0	0	0	0	0	115.5
158	D	45.3	Very low	56.3	Low	131 Å²	131	58.9 Å²	58.9	70%	0.701	32%	0.316	S	S	*	.			trans	-89.3	-0.2	-174.8	-95.3	-12	0	0	0	114.5
159	R	41.7	Very low	54.5	Low	106 Å²	106	65 Å²	65	40%	0.4	35%	0.345	S	S	.	.	S	Bend	trans	-141.7	141.2	178.3	-68.3	-168.2	-174.7	-151.7	2.3	112.9
160	T	43.2	Very low	52.7	Low	77 Å²	77	66.9 Å²	66.9	47%	0.472	36%	0.361	S	S	.	.			trans	-75.9	150.2	169.8	53.6	0	0	0	0	110.3	D162 E163 A164	T160-D162 PolarHBondContact O-N 3.27Å; T160-E163 PolarHBondContact O-N 3.5Å; T160-A164 PolarHBondContact O-N 2.9Å
161	D	43.1	Very low	51.2	Low	74 Å²	74	67.8 Å²	67.8	40%	0.396	37%	0.368	S	S	.	.	H	α-helix	trans	-49.7	-32.4	179.8	-73.7	-24.4	0	0	0	112.3	A164 I165 F200	D161-A164 PolarHBondContact O-N 3.19Å; D161-I165 VanDerWaalsContact O-CD1 3.28Å; D161-I165 WeakPolarHBondContact O-CD1 3.17Å; D161-I165 WeakPolarHBondContact O-CG1 3.38Å; D161-I165 PolarHBondContact O-N 2.86Å; D161-I165 VanDerWaalsContact O-N 3.16Å; D161-F200 HydrophobicContact CB-CZ 4.04Å
162	D	43.2	Very low	49.7	Very low	85 Å²	85	73.9 Å²	73.9	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-68.8	-38	178.8	-67.3	-33.2	0	0	0	114.3	T160 A164 A166 F200	T160-D162 PolarHBondContact O-N 3.27Å; D162-A164 VanDerWaalsContact C-N 3.33Å; D162-A166 PolarHBondContact O-N 3.38Å; D162-F200 VanDerWaalsContact CG-CD1 3.49Å; D162-F200 VanDerWaalsContact CG-CE1 3.5Å; D162-F200 WeakPolarHBondContact OD1-CD1 3.29Å; D162-F200 VanDerWaalsContact OD1-CE1 3.31Å; D162-F200 WeakPolarHBondContact OD1-CE1 3.47Å; D162-F200 WeakPolarHBondContact OD2-CD1 3.19Å; D162-F200 VanDerWaalsContact OD2-CE1 3.24Å; D162-F200 WeakPolarHBondContact OD2-CE1 3.35Å
163	E	45	Very low	47.5	Very low	109 Å²	109	78.6 Å²	78.6	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-77.2	-23.1	178.9	-70.1	179.5	152	0	0	112.6	T160	T160-E163 PolarHBondContact O-N 3.5Å
164	A	39.9	Very low	45.7	Very low	7 Å²	7	85.4 Å²	85.4	6%	0.058	46%	0.458	C	S	.	.	H	α-helix	trans	-79	-36.6	176.3	0	0	0	0	0	111.5	Y150 T160 D161 D162 L167 L168	Y150-A164 HydrophobicContact CE2-CB 3.87Å; T160-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact O-N 3.19Å; D162-A164 VanDerWaalsContact C-N 3.33Å; A164-L167 PolarHBondContact O-N 2.81Å; A164-L168 PolarHBondContact O-N 2.85Å
165	I	43.2	Very low	44.3	Very low	70 Å²	70	87.9 Å²	87.9	36%	0.359	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-40.9	174.3	-70.2	164.5	0	0	0	111.3	D161 L167 L168 E169	D161-I165 VanDerWaalsContact O-CD1 3.28Å; D161-I165 WeakPolarHBondContact O-CD1 3.17Å; D161-I165 WeakPolarHBondContact O-CG1 3.38Å; D161-I165 PolarHBondContact O-N 2.86Å; D161-I165 VanDerWaalsContact O-N 3.16Å; I165-L167 PolarHBondContact O-N 2.59Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-E169 PolarHBondContact O-N 2.76Å
166	A	48	Very low	42.7	Very low	49 Å²	49	93.5 Å²	93.5	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-26.8	176.4	0	0	0	0	0	113.8	D162 T170	D162-A166 PolarHBondContact O-N 3.38Å; A166-T170 PolarHBondContact O-N 2.83Å; A166-T170 PolarHBondContact O-OG1 3.49Å
167	L	42.6	Very low	41.1	Very low	75 Å²	75	94.3 Å²	94.3	39%	0.393	53%	0.53	S	S	.	.	H	α-helix	trans	-81.3	-31.5	178.5	-148	132.4	0	0	0	112	A164 I165 T170 I171	A164-L167 PolarHBondContact O-N 2.81Å; I165-L167 PolarHBondContact O-N 2.59Å; L167-T170 WeakPolarHBondContact CA-OG1 3.44Å; L167-T170 PolarHBondContact O-N 3.31Å; L167-T170 PolarHBondContact O-OG1 2.8Å; L167-I171 HydrophobicContact CD2-CD1 4.1Å; L167-I171 WeakPolarHBondContact O-CD1 3.21Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å
168	L	38.6	Very low	40.2	Very low	42 Å²	42	97.9 Å²	97.9	22%	0.22	53%	0.53	C	S	.	.	H	α-helix	trans	-68.2	-39.2	170.6	-75.7	160.4	0	0	0	111.3	Y147 Y150 A164 I165 T170 I171	Y147-L168 HydrophobicContact CE1-CD2 4.11Å; Y150-L168 HydrophobicContact CE2-CD1 3.93Å; Y150-L168 HydrophobicContact CE2-CG 4.43Å; A164-L168 PolarHBondContact O-N 2.85Å; I165-L168 PolarHBondContact O-N 2.96Å; L168-T170 PolarHBondContact O-N 3.18Å; L168-I171 PolarHBondContact O-N 2.75Å; L168-I171 VanDerWaalsContact O-N 3.15Å
169	E	43.2	Very low	39.8	Very low	129 Å²	129	99.3 Å²	99.3	60%	0.603	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-24.9	175.3	-72.1	-177.6	163.9	0	0	113.4	I165 N173	I165-E169 PolarHBondContact O-N 2.76Å; E169-N173 PolarHBondContact O-ND2 3.35Å
170	T	43.9	Very low	39.4	Very low	102 Å²	102	101 Å²	101	63%	0.626	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.3	174.4	48.2	0	0	0	0	114.8	A166 L167 L168	A166-T170 PolarHBondContact O-N 2.83Å; A166-T170 PolarHBondContact O-OG1 3.49Å; L167-T170 WeakPolarHBondContact CA-OG1 3.44Å; L167-T170 PolarHBondContact O-N 3.31Å; L167-T170 PolarHBondContact O-OG1 2.8Å; L168-T170 PolarHBondContact O-N 3.18Å
171	I	40.9	Very low	38.8	Very low	62 Å²	62	104.2 Å²	104.2	32%	0.318	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-26.7	-175.6	-69.2	166.8	0	0	0	111.9	K146 L167 L168	K146-I171 HydrophobicContact CD-CD1 4.41Å; L167-I171 HydrophobicContact CD2-CD1 4.1Å; L167-I171 WeakPolarHBondContact O-CD1 3.21Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L168-I171 PolarHBondContact O-N 2.75Å; L168-I171 VanDerWaalsContact O-N 3.15Å
172	D	38.6	Very low	38.3	Very low	135 Å²	135	105 Å²	105	72%	0.722	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	3	-170.1	-117.2	-5.5	0	0	0	115.2
173	N	35.5	Very low	38	Very low	137 Å²	137	109.5 Å²	109.5	73%	0.733	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	5.3	-175	-82.4	-53.2	0	0	0	115	E169	E169-N173 PolarHBondContact O-ND2 3.35Å
174	E	34.4	Very low	37.4	Very low	195 Å²	195	112 Å²	112	91%	0.911	58%	0.58	S	S	*	*	S	Bend	trans	-108.4	66.5	176.8	-69	-167.1	166.1	0	0	112.4
175	G	33.8	Very low	37	Very low	64 Å²	64	116.8 Å²	116.8	66%	0.66	60%	0.597	S	S	*	*			trans	89.1	95.1	151.3	0	0	0	0	0	117.4
176	V	31.9	Very low	36.5	Very low	143 Å²	143	119.2 Å²	119.2	87%	0.867	61%	0.607	S	S	*	*			trans	-159.9	141.8	147.9	157.6	0	0	0	0	109.1
177	D	34.4	Very low	35.7	Very low	127 Å²	127	124.7 Å²	124.7	68%	0.679	63%	0.63	S	S	*	*			trans	-59.4	126.7	-167.7	-157	-8.2	0	0	0	115.2	E179	D177-E179 VanDerWaalsContact C-N 3.29Å; D177-E179 PolarHBondContact O-N 2.95Å
178	E	34.9	Very low	35.3	Very low	136 Å²	136	128 Å²	128	64%	0.636	65%	0.648	S	S	*	*	H	α-helix	trans	-65	-21.3	-169.3	-103.8	-168.3	113.6	0	0	115	K182	E178-K182 WeakPolarHBondContact O-CG 3.48Å; E178-K182 IonicContact OE1-NZ 3.61Å; E178-K182 PolarHBondContact OE1-NZ 3.25Å
179	E	35.1	Very low	35.1	Very low	162 Å²	162	128.9 Å²	128.9	76%	0.757	65%	0.653	S	S	*	*	H	α-helix	trans	-90.1	-22.8	-162.4	-151.4	149.8	-157.7	0	0	113.5	D177	D177-E179 VanDerWaalsContact C-N 3.29Å; D177-E179 PolarHBondContact O-N 2.95Å
180	N	33.9	Very low	34.8	Very low	141 Å²	141	126 Å²	126	75%	0.754	65%	0.651	S	S	*	*	H	α-helix	trans	-87.1	-18.9	173.9	-101.4	-25.7	0	0	0	113.5
181	W	30.8	Very low	34.4	Very low	145 Å²	145	129.3 Å²	129.3	55%	0.549	66%	0.66	S	S	.	*	H	α-helix	trans	-81.4	-38.1	-177.4	-150.1	83.2	0	0	0	111.6	Q183 K184 Y185	W181-Q183 PolarHBondContact O-N 2.79Å; W181-K184 PolarHBondContact O-N 2.9Å; W181-Y185 HydrophobicContact CD2-CD2 4.38Å; W181-Y185 HydrophobicContact CG-CD2 4.47Å; W181-Y185 PolarHBondContact O-N 2.87Å
182	K	32.7	Very low	34	Very low	91 Å²	91	131.9 Å²	131.9	40%	0.396	67%	0.665	S	S	.	*	H	α-helix	trans	-64.1	-38.2	179.1	-70.4	179.4	-179.3	161.3	0	113.2	E178 K184 E186	E178-K182 WeakPolarHBondContact O-CG 3.48Å; E178-K182 IonicContact OE1-NZ 3.61Å; E178-K182 PolarHBondContact OE1-NZ 3.25Å; K182-K184 VanDerWaalsContact C-N 3.27Å; K182-K184 PolarHBondContact O-N 2.89Å; K182-E186 HydrophobicContact CB-CG 4.49Å; K182-E186 WeakPolarHBondContact CB-OE1 3.15Å; K182-E186 WeakPolarHBondContact CG-OE1 3.43Å; K182-E186 WeakPolarHBondContact O-CB 3.27Å; K182-E186 VanDerWaalsContact O-CG 3.24Å; K182-E186 WeakPolarHBondContact O-CG 3.37Å
183	Q	37.1	Very low	33.8	Very low	179 Å²	179	132.3 Å²	132.3	84%	0.836	66%	0.657	S	S	*	*	H	α-helix	trans	-71.3	-17	-179.3	-153.6	90.2	54.5	0	0	114.2	W181	W181-Q183 PolarHBondContact O-N 2.79Å
184	K	31.2	Very low	33.9	Very low	161 Å²	161	132.4 Å²	132.4	70%	0.7	65%	0.651	S	S	*	*	H	α-helix	trans	-109.4	-15.3	-169.8	-148.6	177.7	-176	-175.2	0	114.2	W181 K182	W181-K184 PolarHBondContact O-N 2.9Å; K182-K184 VanDerWaalsContact C-N 3.27Å; K182-K184 PolarHBondContact O-N 2.89Å
185	Y	33.2	Very low	33.9	Very low	107 Å²	107	130.5 Å²	130.5	42%	0.42	64%	0.639	S	S	.	*	H	α-helix	trans	-132.6	-0.4	-170.2	-68.1	-74.2	0	0	0	115.6	W181	W181-Y185 HydrophobicContact CD2-CD2 4.38Å; W181-Y185 HydrophobicContact CG-CD2 4.47Å; W181-Y185 PolarHBondContact O-N 2.87Å
186	E	31.2	Very low	33.8	Very low	122 Å²	122	131.8 Å²	131.8	57%	0.57	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-16.6	-172.6	-79.9	-179.8	163.8	0	0	116.1	K182	K182-E186 HydrophobicContact CB-CG 4.49Å; K182-E186 WeakPolarHBondContact CB-OE1 3.15Å; K182-E186 WeakPolarHBondContact CG-OE1 3.43Å; K182-E186 WeakPolarHBondContact O-CB 3.27Å; K182-E186 VanDerWaalsContact O-CG 3.24Å; K182-E186 WeakPolarHBondContact O-CG 3.37Å
187	D	31.8	Very low	33.9	Very low	163 Å²	163	128.3 Å²	128.3	87%	0.872	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-15.2	-175.3	-73.3	-22.7	0	0	0	115
188	N	35	Very low	33.9	Very low	146 Å²	146	128.3 Å²	128.3	78%	0.781	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-13.1	-174.3	-77.4	-23.1	0	0	0	115.2
189	D	34.2	Very low	33.8	Very low	59 Å²	59	131.3 Å²	131.3	32%	0.316	61%	0.606	S	S	.	*	S	Bend	trans	-109.4	-15.7	-165	-151.3	39.8	0	0	0	114.5	R193	D189-R193 VanDerWaalsContact O-CB 3.28Å; D189-R193 WeakPolarHBondContact O-CB 3.45Å; D189-R193 WeakPolarHBondContact O-CG 3.46Å; D189-R193 PolarHBondContact O-N 2.79Å; D189-R193 IonicContact OD2-CZ 3.03Å; D189-R193 VanDerWaalsContact OD2-CZ 3.23Å; D189-R193 IonicContact OD2-NE 2.74Å; D189-R193 PolarHBondContact OD2-NE 3.3Å; D189-R193 IonicContact OD2-NH2 2.8Å; D189-R193 PolarHBondContact OD2-NH2 3.07Å; D189-R193 VanDerWaalsContact OD2-NH2 3.16Å
190	A	36.4	Very low	33.5	Very low	70 Å²	70	128.2 Å²	128.2	58%	0.579	59%	0.59	S	S	*	*	H	α-helix	trans	-73.1	-34.8	179.3	0	0	0	0	0	112.9	K194	A190-K194 WeakPolarHBondContact O-CB 3.4Å; A190-K194 PolarHBondContact O-N 3.1Å; A190-K194 VanDerWaalsContact O-N 3.14Å
191	E	35.4	Very low	33.6	Very low	171 Å²	171	129.7 Å²	129.7	80%	0.799	59%	0.59	S	S	*	*	H	α-helix	trans	-75.4	-36	177.8	-138.3	-177.4	-166.1	0	0	111	K195	E191-K195 WeakPolarHBondContact O-CB 3.42Å; E191-K195 PolarHBondContact O-N 3.47Å
192	W	33.4	Very low	33.7	Very low	116 Å²	116	130.3 Å²	130.3	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-70.6	-42.7	177.1	-131.6	88.3	0	0	0	112	K195 Y196	W192-K195 WeakPolarHBondContact O-CB 3.47Å; W192-K195 PolarHBondContact O-N 3.4Å; W192-Y196 AromaticContact CD2-CD2 3.98Å; W192-Y196 HydrophobicContact CD2-CD2 3.98Å; W192-Y196 AromaticContact CD2-CE2 3.95Å; W192-Y196 HydrophobicContact CD2-CE2 3.95Å; W192-Y196 AromaticContact CE3-CD2 3.38Å; W192-Y196 HydrophobicContact CE3-CD2 3.38Å; W192-Y196 AromaticContact CE3-CE2 3.47Å; W192-Y196 HydrophobicContact CE3-CE2 3.47Å; W192-Y196 VanDerWaalsContact CE3-CE2 3.47Å; W192-Y196 HydrophobicContact CE3-CG 4.16Å; W192-Y196 AromaticContact CH2-CD2 3.98Å; W192-Y196 HydrophobicContact CH2-CD2 3.98Å; W192-Y196 HydrophobicContact CH2-CE1 4.37Å; W192-Y196 AromaticContact CH2-CE2 3.15Å; W192-Y196 HydrophobicContact CH2-CE2 3.15Å; W192-Y196 AromaticContact CH2-CZ 3.38Å; W192-Y196 WeakPolarHBondContact CH2-OH 3.27Å; W192-Y196 HydrophobicContact CZ2-CD2 4.49Å; W192-Y196 AromaticContact CZ2-CE2 3.65Å; W192-Y196 HydrophobicContact CZ2-CE2 3.65Å; W192-Y196 HydrophobicContact CZ3-CD1 4.38Å; W192-Y196 AromaticContact CZ3-CD2 3.39Å; W192-Y196 HydrophobicContact CZ3-CD2 3.39Å; W192-Y196 HydrophobicContact CZ3-CE1 4.1Å; W192-Y196 AromaticContact CZ3-CE2 3.05Å; W192-Y196 HydrophobicContact CZ3-CE2 3.05Å; W192-Y196 HydrophobicContact CZ3-CG 4.05Å; W192-Y196 AromaticContact CZ3-CZ 3.43Å; W192-Y196 VanDerWaalsContact CZ3-CZ 3.43Å; W192-Y196 WeakPolarHBondContact O-CB 3.24Å; W192-Y196 PolarHBondContact O-N 2.97Å
193	R	33	Very low	33.4	Very low	144 Å²	144	129.7 Å²	129.7	54%	0.543	62%	0.618	S	S	.	*	H	α-helix	trans	-63.4	-39.5	172.8	-74.5	173.7	-177.9	-157.1	-5.9	112.5	D189 Y196 T197	D189-R193 VanDerWaalsContact O-CB 3.28Å; D189-R193 WeakPolarHBondContact O-CB 3.45Å; D189-R193 WeakPolarHBondContact O-CG 3.46Å; D189-R193 PolarHBondContact O-N 2.79Å; D189-R193 IonicContact OD2-CZ 3.03Å; D189-R193 VanDerWaalsContact OD2-CZ 3.23Å; D189-R193 IonicContact OD2-NE 2.74Å; D189-R193 PolarHBondContact OD2-NE 3.3Å; D189-R193 IonicContact OD2-NH2 2.8Å; D189-R193 PolarHBondContact OD2-NH2 3.07Å; D189-R193 VanDerWaalsContact OD2-NH2 3.16Å; R193-Y196 PolarHBondContact O-N 3.33Å; R193-T197 WeakPolarHBondContact O-CB 3.32Å; R193-T197 PolarHBondContact O-N 3.24Å; R193-T197 PolarHBondContact O-OG1 3.24Å
194	K	37.7	Very low	33	Very low	139 Å²	139	129.2 Å²	129.2	60%	0.604	61%	0.613	S	S	*	*	H	α-helix	trans	-64.4	-41.1	174	-125	177.2	176.2	-177.2	0	112.1	A190 Y196 E198	A190-K194 WeakPolarHBondContact O-CB 3.4Å; A190-K194 PolarHBondContact O-N 3.1Å; A190-K194 VanDerWaalsContact O-N 3.14Å; K194-Y196 VanDerWaalsContact C-N 3.29Å; K194-Y196 PolarHBondContact O-N 3.24Å; K194-E198 VanDerWaalsContact O-CB 3.31Å; K194-E198 WeakPolarHBondContact O-CB 3.49Å; K194-E198 VanDerWaalsContact O-CG 3.29Å; K194-E198 WeakPolarHBondContact O-CG 3.38Å; K194-E198 PolarHBondContact O-N 2.94Å
195	K	35	Very low	32.8	Very low	154 Å²	154	126.8 Å²	126.8	67%	0.67	61%	0.614	S	S	*	*	H	α-helix	trans	-67	-25.9	178.1	-140.9	171.2	-173.6	175.5	0	113.6	E191 W192	E191-K195 WeakPolarHBondContact O-CB 3.42Å; E191-K195 PolarHBondContact O-N 3.47Å; W192-K195 WeakPolarHBondContact O-CB 3.47Å; W192-K195 PolarHBondContact O-N 3.4Å
196	Y	30.8	Very low	32.4	Very low	91 Å²	91	128.8 Å²	128.8	36%	0.357	64%	0.637	S	S	.	*	H	α-helix	trans	-97.5	-40.5	179.8	-96.2	-98.3	0	0	0	113.7	W192 R193 K194 E198 R199	W192-Y196 AromaticContact CD2-CD2 3.98Å; W192-Y196 HydrophobicContact CD2-CD2 3.98Å; W192-Y196 AromaticContact CD2-CE2 3.95Å; W192-Y196 HydrophobicContact CD2-CE2 3.95Å; W192-Y196 AromaticContact CE3-CD2 3.38Å; W192-Y196 HydrophobicContact CE3-CD2 3.38Å; W192-Y196 AromaticContact CE3-CE2 3.47Å; W192-Y196 HydrophobicContact CE3-CE2 3.47Å; W192-Y196 VanDerWaalsContact CE3-CE2 3.47Å; W192-Y196 HydrophobicContact CE3-CG 4.16Å; W192-Y196 AromaticContact CH2-CD2 3.98Å; W192-Y196 HydrophobicContact CH2-CD2 3.98Å; W192-Y196 HydrophobicContact CH2-CE1 4.37Å; W192-Y196 AromaticContact CH2-CE2 3.15Å; W192-Y196 HydrophobicContact CH2-CE2 3.15Å; W192-Y196 AromaticContact CH2-CZ 3.38Å; W192-Y196 WeakPolarHBondContact CH2-OH 3.27Å; W192-Y196 HydrophobicContact CZ2-CD2 4.49Å; W192-Y196 AromaticContact CZ2-CE2 3.65Å; W192-Y196 HydrophobicContact CZ2-CE2 3.65Å; W192-Y196 HydrophobicContact CZ3-CD1 4.38Å; W192-Y196 AromaticContact CZ3-CD2 3.39Å; W192-Y196 HydrophobicContact CZ3-CD2 3.39Å; W192-Y196 HydrophobicContact CZ3-CE1 4.1Å; W192-Y196 AromaticContact CZ3-CE2 3.05Å; W192-Y196 HydrophobicContact CZ3-CE2 3.05Å; W192-Y196 HydrophobicContact CZ3-CG 4.05Å; W192-Y196 AromaticContact CZ3-CZ 3.43Å; W192-Y196 VanDerWaalsContact CZ3-CZ 3.43Å; W192-Y196 WeakPolarHBondContact O-CB 3.24Å; W192-Y196 PolarHBondContact O-N 2.97Å; R193-Y196 PolarHBondContact O-N 3.33Å; K194-Y196 VanDerWaalsContact C-N 3.29Å; K194-Y196 PolarHBondContact O-N 3.24Å; Y196-E198 VanDerWaalsContact C-N 3.33Å; Y196-E198 PolarHBondContact O-N 2.86Å; Y196-R199 PolarHBondContact O-N 2.92Å
197	T	34.9	Very low	32.2	Very low	71 Å²	71	127.9 Å²	127.9	44%	0.436	64%	0.639	S	S	.	*	H	α-helix	trans	-74.2	-22.2	179.9	-48.6	0	0	0	0	112.7	R193	R193-T197 WeakPolarHBondContact O-CB 3.32Å; R193-T197 PolarHBondContact O-N 3.24Å; R193-T197 PolarHBondContact O-OG1 3.24Å
198	E	35.2	Very low	31.8	Very low	127 Å²	127	125.4 Å²	125.4	59%	0.593	63%	0.63	S	S	*	*	H	α-helix	trans	-79	-19.1	170.7	-70.7	176.5	-180	0	0	112.7	K194 Y196	K194-E198 VanDerWaalsContact O-CB 3.31Å; K194-E198 WeakPolarHBondContact O-CB 3.49Å; K194-E198 VanDerWaalsContact O-CG 3.29Å; K194-E198 WeakPolarHBondContact O-CG 3.38Å; K194-E198 PolarHBondContact O-N 2.94Å; Y196-E198 VanDerWaalsContact C-N 3.33Å; Y196-E198 PolarHBondContact O-N 2.86Å
199	R	31.2	Very low	31.3	Very low	198 Å²	198	124.8 Å²	124.8	75%	0.747	63%	0.634	S	S	*	*	H	α-helix	trans	-80.4	-21.8	174.9	-88.4	-176	170.2	-173	-2.9	114.4	Y196	Y196-R199 PolarHBondContact O-N 2.92Å
200	F	30.4	Very low	31	Very low	97 Å²	97	127 Å²	127	43%	0.425	65%	0.65	S	S	.	*	H	α-helix	trans	-101.2	-16	-173.8	-96.3	-89	0	0	0	114.9	D161 D162 E202	D161-F200 HydrophobicContact CB-CZ 4.04Å; D162-F200 VanDerWaalsContact CG-CD1 3.49Å; D162-F200 VanDerWaalsContact CG-CE1 3.5Å; D162-F200 WeakPolarHBondContact OD1-CD1 3.29Å; D162-F200 VanDerWaalsContact OD1-CE1 3.31Å; D162-F200 WeakPolarHBondContact OD1-CE1 3.47Å; D162-F200 WeakPolarHBondContact OD2-CD1 3.19Å; D162-F200 VanDerWaalsContact OD2-CE1 3.24Å; D162-F200 WeakPolarHBondContact OD2-CE1 3.35Å; F200-E202 VanDerWaalsContact C-N 3.28Å; F200-E202 PolarHBondContact O-N 2.81Å
201	K	35.5	Very low	30.6	Very low	172 Å²	172	129.6 Å²	129.6	75%	0.748	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	3.6	-176.7	-79.4	179.3	176.7	175.2	0	115.5
202	E	31.9	Very low	30.1	Very low	159 Å²	159	129.2 Å²	129.2	74%	0.743	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	7.5	-175.2	-67.4	-167.8	166.1	0	0	116.2	F200 K204	F200-E202 VanDerWaalsContact C-N 3.28Å; F200-E202 PolarHBondContact O-N 2.81Å; E202-K204 PolarHBondContact O-N 2.83Å; E202-K204 VanDerWaalsContact O-N 3.16Å
203	G	27.1	Very low	29.8	Very low	77 Å²	77	129.3 Å²	129.3	79%	0.794	68%	0.675	S	S	*	*			trans	57.4	36.7	155.1	0	0	0	0	0	118.5
204	K	29.2	Very low	29.5	Very low	169 Å²	169	131.1 Å²	131.1	74%	0.735	69%	0.686	S	S	*	*			trans	-97.3	130.9	172.9	-69.1	-175.5	178.7	-178	0	111.3	E202	E202-K204 PolarHBondContact O-N 2.83Å; E202-K204 VanDerWaalsContact O-N 3.16Å
205	P	25.6	Very low	29.1	Very low	110 Å²	110	134 Å²	134	71%	0.714	70%	0.702	S	S	*	*			trans	-67.6	152.3	178.7	28.6	-33	0	0	0	111.7	V207	P205-V207 VanDerWaalsContact C-N 3.3Å; P205-V207 PolarHBondContact O-N 2.71Å
206	V	25.1	Very low	28.7	Very low	149 Å²	149	133.4 Å²	133.4	90%	0.903	70%	0.702	S	S	*	*			trans	-62.9	88.7	173.6	-177.8	0	0	0	0	109.4
207	V	26.6	Very low	28.4	Very low	103 Å²	103	135.1 Å²	135.1	62%	0.624	72%	0.724	S	S	*	*			trans	-117.2	130.2	157.4	-178.7	0	0	0	0	103.9	P205	P205-V207 VanDerWaalsContact C-N 3.3Å; P205-V207 PolarHBondContact O-N 2.71Å
208	T	23.9	Very low	28.2	Very low	111 Å²	111	136.7 Å²	136.7	68%	0.681	73%	0.733	S	S	*	*			trans	-33.9	127.6	173.8	37.9	0	0	0	0	109.8	T210	T208-T210 VanDerWaalsContact C-N 3.29Å; T208-T210 PolarHBondContact O-N 2.67Å; T208-T210 PolarHBondContact O-OG1 2.73Å; T208-T210 VanDerWaalsContact O-OG1 3.05Å
209	P	25.5	Very low	28	Very low	133 Å²	133	137.3 Å²	137.3	86%	0.864	74%	0.741	S	S	*	*			trans	-57.4	101.3	-178.1	22.8	-30.2	0	0	0	107.6
210	T	27.8	Very low	27.9	Very low	105 Å²	105	136.6 Å²	136.6	64%	0.644	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-79.9	129.6	173.2	-43.8	0	0	0	0	103.9	T208 E212	T208-T210 VanDerWaalsContact C-N 3.29Å; T208-T210 PolarHBondContact O-N 2.67Å; T208-T210 PolarHBondContact O-OG1 2.73Å; T208-T210 VanDerWaalsContact O-OG1 3.05Å; T210-E212 PolarHBondContact O-N 2.81Å
211	P	26.8	Very low	27.8	Very low	126 Å²	126	141 Å²	141	82%	0.818	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62.9	119.6	-169.9	3.3	2.8	0	0	0	110.6
212	E	25.9	Very low	27.7	Very low	162 Å²	162	139 Å²	139	76%	0.757	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-85.1	144.8	159.7	-89.7	-176.9	173.9	0	0	108.6	T210 K214	T210-E212 PolarHBondContact O-N 2.81Å; E212-K214 PolarHBondContact O-N 2.95Å
213	P	25.8	Very low	27.5	Very low	118 Å²	118	142 Å²	142	77%	0.766	77%	0.766	S	S	*	*			trans	-73	91.1	-146	30.9	-35.6	0	0	0	111.3	E215	P213-E215 PolarHBondContact O-N 2.75Å
214	K	26.5	Very low	27.7	Very low	182 Å²	182	147 Å²	147	79%	0.791	77%	0.768	S	S	*	*			trans	-76.7	113.4	151.5	-72.6	-175.7	178.4	179.7	0	105	E212 E216	E212-K214 PolarHBondContact O-N 2.95Å; K214-E216 WeakPolarHBondContact O-CA 3.34Å; K214-E216 PolarHBondContact O-N 2.92Å
215	E	29.3	Very low	27.6	Very low	199 Å²	199	147.7 Å²	147.7	93%	0.93	77%	0.774	S	S	*	*	S	Bend	trans	-28.8	108.7	172.7	-70	176.6	159.5	0	0	109.3	P213	P213-E215 PolarHBondContact O-N 2.75Å
216	E	27.7	Very low	27.8	Very low	142 Å²	142	146.8 Å²	146.8	66%	0.664	77%	0.771	S	S	*	*			trans	-63.8	141.1	-144	-66.3	164.6	162.5	0	0	112.1	K214 V218	K214-E216 WeakPolarHBondContact O-CA 3.34Å; K214-E216 PolarHBondContact O-N 2.92Å; E216-V218 HydrophobicContact CB-CG2 4.02Å; E216-V218 PolarHBondContact O-N 2.74Å
217	P	25	Very low	28.1	Very low	128 Å²	128	145 Å²	145	83%	0.831	76%	0.756	S	S	*	*			trans	-65.7	90.3	146.6	30	-25	0	0	0	105.8	D219	P217-D219 PolarHBondContact O-N 3.12Å; P217-D219 VanDerWaalsContact O-N 3.1Å
218	V	30.8	Very low	28.2	Very low	104 Å²	104	144.9 Å²	144.9	63%	0.63	75%	0.751	S	S	*	*			trans	-59.1	111.7	177.4	176.1	0	0	0	0	108.5	E216	E216-V218 HydrophobicContact CB-CG2 4.02Å; E216-V218 PolarHBondContact O-N 2.74Å
219	D	29.5	Very low	28.5	Very low	140 Å²	140	145.5 Å²	145.5	75%	0.749	75%	0.75	S	S	*	*			trans	46.6	80.9	155.5	-50.7	-28.1	0	0	0	118.2	P217	P217-D219 PolarHBondContact O-N 3.12Å; P217-D219 VanDerWaalsContact O-N 3.1Å
220	E	29.8	Very low	29	Very low	183 Å²	183	144 Å²	144	86%	0.855	73%	0.734	S	S	*	*			trans	-108.3	80.4	145.4	-149.7	96.1	-149	0	0	107.1	E222	E220-E222 PolarHBondContact O-N 3.06Å
221	E	29.4	Very low	29.5	Very low	188 Å²	188	144.4 Å²	144.4	88%	0.879	73%	0.732	S	S	*	*			trans	-60.7	88.7	154.3	-96.2	-171.6	156	0	0	106.1	R223	E221-R223 PolarHBondContact O-N 3.34Å
222	E	32.2	Very low	29.9	Very low	130 Å²	130	144.3 Å²	144.3	61%	0.607	73%	0.725	S	S	*	*			trans	-59.6	88.4	164.2	-103.3	-174.3	163.3	0	0	106.6	E220 Q224 R255	E220-E222 PolarHBondContact O-N 3.06Å; E222-Q224 PolarHBondContact O-N 2.74Å; E222-Q224 VanDerWaalsContact O-N 3.1Å; E222-R255 IonicContact OE1-CZ 3.31Å; E222-R255 IonicContact OE1-NH1 3.32Å; E222-R255 PolarHBondContact OE1-NH1 2.78Å; E222-R255 IonicContact OE1-NH2 2.8Å; E222-R255 IonicContact OE2-NH1 3.74Å
223	R	28.8	Very low	30.4	Very low	224 Å²	224	139.6 Å²	139.6	85%	0.845	70%	0.704	S	S	*	*			trans	-42.4	118.5	152.1	-79.8	-175.4	-178.2	-157.5	1.3	106.8	E221 E225	E221-R223 PolarHBondContact O-N 3.34Å; R223-E225 PolarHBondContact O-N 2.57Å
224	Q	30.2	Very low	30.9	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	71%	0.705	S	S	*	*	S	Bend	trans	-19	120.5	143.3	-65.2	-85.1	-32.5	0	0	109.8	E222	E222-Q224 PolarHBondContact O-N 2.74Å; E222-Q224 VanDerWaalsContact O-N 3.1Å
225	E	27.3	Very low	31.6	Very low	182 Å²	182	138.5 Å²	138.5	85%	0.85	71%	0.706	S	S	*	*			trans	100.8	55.6	-177.6	-54.3	178.2	174	0	0	118.1	R223	R223-E225 PolarHBondContact O-N 2.57Å
226	S	28.9	Very low	31.9	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	68%	0.68	S	S	*	*	S	Bend		-99.5	80.9	129.8	73.1	0	0	0	0	107.6
227	L	32.1	Very low	32.5	Very low	112 Å²	112	128.4 Å²	128.4	59%	0.586	68%	0.676	S	S	*	*			trans	14.4	116.2	170	-101.7	71.1	0	0	0	116	L229 L232	L227-L229 PolarHBondContact O-N 3.25Å; L227-L232 HydrophobicContact CD2-CD1 3.59Å; L227-L232 HydrophobicContact CG-CD1 4.42Å
228	N	28.9	Very low	33.5	Very low	100 Å²	100	127.4 Å²	127.4	54%	0.535	67%	0.668	S	S	.	*			trans	-51.3	95.4	144.3	-72.5	-19.5	0	0	0	107	D230 D231	N228-D230 PolarHBondContact O-N 2.96Å; N228-D230 VanDerWaalsContact O-N 3.13Å; N228-D231 HydrophobicContact CB-CB 3.68Å; N228-D231 WeakPolarHBondContact CB-OD2 3.43Å; N228-D231 PolarHBondContact ND2-OD2 3.46Å; N228-D231 PolarHBondContact O-N 3.28Å
229	L	30.9	Very low	34	Very low	124 Å²	124	130.5 Å²	130.5	65%	0.649	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-25.5	162.7	-168.6	70.1	0	0	0	108.7	L227 L233	L227-L229 PolarHBondContact O-N 3.25Å; L229-L233 HydrophobicContact CG-CD1 4.31Å; L229-L233 WeakPolarHBondContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CD1 3.42Å; L229-L233 PolarHBondContact O-N 3.35Å
230	D	35.1	Very low	34.2	Very low	100 Å²	100	131.4 Å²	131.4	54%	0.535	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-34.4	173.6	-62	-23.5	0	0	0	113.5	N228 L233 Y234	N228-D230 PolarHBondContact O-N 2.96Å; N228-D230 VanDerWaalsContact O-N 3.13Å; D230-L233 VanDerWaalsContact O-CB 3.27Å; D230-L233 WeakPolarHBondContact O-CB 2.85Å; D230-L233 PolarHBondContact O-N 3.43Å; D230-L233 VanDerWaalsContact O-N 3.12Å; D230-Y234 WeakPolarHBondContact O-CD2 3.25Å
231	D	39.5	Very low	34.9	Very low	114 Å²	114	127.9 Å²	127.9	61%	0.61	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-23.5	-177.5	-75.7	-16.5	0	0	0	113.9	N228 L233	N228-D231 HydrophobicContact CB-CB 3.68Å; N228-D231 WeakPolarHBondContact CB-OD2 3.43Å; N228-D231 PolarHBondContact ND2-OD2 3.46Å; N228-D231 PolarHBondContact O-N 3.28Å; D231-L233 VanDerWaalsContact C-N 3.26Å
232	L	33.8	Very low	35.6	Very low	125 Å²	125	124.6 Å²	124.6	65%	0.654	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-15.2	164.6	-102.5	145.1	0	0	0	112	L227	L227-L232 HydrophobicContact CD2-CD1 3.59Å; L227-L232 HydrophobicContact CG-CD1 4.42Å
233	L	37.5	Very low	35.8	Very low	63 Å²	63	122.7 Å²	122.7	33%	0.33	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.4	-16.5	-175.5	-121.2	85.7	0	0	0	114.8	L229 D230 D231 K241	L229-L233 HydrophobicContact CG-CD1 4.31Å; L229-L233 WeakPolarHBondContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CD1 3.42Å; L229-L233 PolarHBondContact O-N 3.35Å; D230-L233 VanDerWaalsContact O-CB 3.27Å; D230-L233 WeakPolarHBondContact O-CB 2.85Å; D230-L233 PolarHBondContact O-N 3.43Å; D230-L233 VanDerWaalsContact O-N 3.12Å; D231-L233 VanDerWaalsContact C-N 3.26Å; L233-K241 WeakPolarHBondContact O-CE 3.35Å
234	Y	36.6	Very low	36	Very low	197 Å²	197	116.1 Å²	116.1	77%	0.773	61%	0.606	S	S	*	*	S	Bend	trans	-89.4	0.3	-174.1	-82.9	-73.4	0	0	0	115.3	D230	D230-Y234 WeakPolarHBondContact O-CD2 3.25Å
235	G	40.3	Very low	35.9	Very low	80 Å²	80	112.7 Å²	112.7	83%	0.825	60%	0.599	S	S	*	*	S	Bend	trans	-121.2	-5.3	179.9	0	0	0	0	0	117.1
236	A	34.9	Very low	36.3	Very low	47 Å²	47	114.4 Å²	114.4	39%	0.388	60%	0.6	S	S	.	*	S	Bend	trans	-99.5	151.6	-170.4	0	0	0	0	0	113.8	Y240	A236-Y240 HydrophobicContact CB-CD1 4.48Å
237	S	40.2	Very low	36.5	Very low	82 Å²	82	115.9 Å²	115.9	57%	0.573	60%	0.604	S	S	*	*			trans	-67	154.5	-172.2	67.3	0	0	0	0	113.5	Y239 Y240	S237-Y239 PolarHBondContact O-N 3.2Å; S237-Y240 PolarHBondContact O-N 3.05Å
238	T	47.7	Very low	36.7	Very low	106 Å²	106	117.3 Å²	117.3	65%	0.65	62%	0.618	S	S	*	*	H	α-helix	trans	-49.8	-30.5	179.6	-40.7	0	0	0	0	113.3	Y240 K241	T238-Y240 VanDerWaalsContact C-N 3.3Å; T238-Y240 PolarHBondContact O-N 3.12Å; T238-K241 PolarHBondContact O-N 3.46Å
239	Y	40.1	Very low	37.2	Very low	170 Å²	170	116.2 Å²	116.2	67%	0.667	62%	0.623	S	S	*	*	H	α-helix	trans	-66.5	-24.5	176.9	-111.8	-95.6	0	0	0	114	S237 Y243	S237-Y239 PolarHBondContact O-N 3.2Å; Y239-Y243 HydrophobicContact CD1-CD2 4.35Å; Y239-Y243 AromaticContact CD1-CE2 3.72Å; Y239-Y243 HydrophobicContact CD1-CE2 3.72Å; Y239-Y243 AromaticContact CE1-CE2 3.82Å; Y239-Y243 HydrophobicContact CE1-CE2 3.82Å; Y239-Y243 VanDerWaalsContact O-CD2 3.3Å; Y239-Y243 WeakPolarHBondContact O-CD2 3.31Å
240	Y	34.5	Very low	37.7	Very low	158 Å²	158	116 Å²	116	62%	0.62	62%	0.623	S	S	*	*	H	α-helix	trans	-85.3	-23.2	179.5	-166.8	-98.8	0	0	0	112.4	A236 S237 T238	A236-Y240 HydrophobicContact CB-CD1 4.48Å; S237-Y240 PolarHBondContact O-N 3.05Å; T238-Y240 VanDerWaalsContact C-N 3.3Å; T238-Y240 PolarHBondContact O-N 3.12Å
241	K	43.3	Very low	38.1	Very low	109 Å²	109	113.9 Å²	113.9	47%	0.474	62%	0.618	S	S	.	*	H	α-helix	trans	-78.6	-23.1	177.5	-75.6	-176.7	175.2	-179.5	0	113.8	L233 T238	L233-K241 WeakPolarHBondContact O-CE 3.35Å; T238-K241 PolarHBondContact O-N 3.46Å
242	D	44.2	Very low	38.2	Very low	120 Å²	120	115 Å²	115	64%	0.642	63%	0.625	S	S	*	*	S	Bend	trans	-92.8	-14.5	-173.1	-67.8	-17.6	0	0	0	114.2
243	Y	36.1	Very low	38.5	Very low	90 Å²	90	111.5 Å²	111.5	35%	0.353	61%	0.611	S	S	.	*	S	Bend	trans	-108.6	0.2	-177.1	-72.9	-77.9	0	0	0	115.2	Y239 P245 N986 E987 N988	Y239-Y243 HydrophobicContact CD1-CD2 4.35Å; Y239-Y243 AromaticContact CD1-CE2 3.72Å; Y239-Y243 HydrophobicContact CD1-CE2 3.72Å; Y239-Y243 AromaticContact CE1-CE2 3.82Å; Y239-Y243 HydrophobicContact CE1-CE2 3.82Å; Y239-Y243 VanDerWaalsContact O-CD2 3.3Å; Y239-Y243 WeakPolarHBondContact O-CD2 3.31Å; Y243-P245 WeakPolarHBondContact O-CD 3.42Å; Y243-N986 HydrophobicContact CD1-CB 4.45Å; Y243-N986 HydrophobicContact CE1-CB 4.17Å; Y243-E987 HydrophobicContact CE1-CB 4.1Å; Y243-N988 PolarHBondContact OH-ND2 3.38Å
244	V	32.8	Very low	38.5	Very low	86 Å²	86	114.7 Å²	114.7	52%	0.521	63%	0.627	S	S	.	*	S	Bend	trans	-98.9	107	175.2	-177.9	0	0	0	0	108.5	Y246	V244-Y246 PolarHBondContact O-N 3.26Å
245	P	29.4	Very low	38.6	Very low	109 Å²	109	112.1 Å²	112.1	71%	0.708	62%	0.616	S	S	*	*			trans	-66.5	122.9	177.2	-13.2	28.2	0	0	0	109.4	Y243 V247	Y243-P245 WeakPolarHBondContact O-CD 3.42Å; P245-V247 PolarHBondContact O-N 2.84Å; P245-V247 VanDerWaalsContact O-N 3.1Å
246	Y	36.1	Very low	38.8	Very low	218 Å²	218	109.5 Å²	109.5	86%	0.855	59%	0.59	S	S	*	*			trans	-54	111.8	171.1	-82.5	-96.5	0	0	0	110.2	V244	V244-Y246 PolarHBondContact O-N 3.26Å
247	V	31.7	Very low	39	Very low	123 Å²	123	111.1 Å²	111.1	75%	0.745	59%	0.591	S	S	*	*			trans	-83.4	117	159	178.2	0	0	0	0	105.5	P245 A249	P245-V247 PolarHBondContact O-N 2.84Å; P245-V247 VanDerWaalsContact O-N 3.1Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 PolarHBondContact O-N 3.47Å
248	T	36	Very low	38.8	Very low	142 Å²	142	109.1 Å²	109.1	87%	0.871	58%	0.583	S	S	*	*			trans	-57.7	97.5	170.5	41.2	0	0	0	0	108.7
249	A	41.1	Very low	38.4	Very low	77 Å²	77	106.6 Å²	106.6	64%	0.636	57%	0.573	S	S	*	*			trans	-103.2	86.4	-174	0	0	0	0	0	109.2	V247 A251	V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 PolarHBondContact O-N 3.47Å; A249-A251 PolarHBondContact O-N 3.26Å
250	D	40.8	Very low	38.5	Very low	121 Å²	121	102.7 Å²	102.7	65%	0.647	56%	0.563	S	S	*	*			trans	-69.4	74.2	155.9	-86.8	-23.6	0	0	0	108	D252 S253 L254	D250-D252 PolarHBondContact O-N 3.24Å; D250-S253 WeakPolarHBondContact CB-OG 3.3Å; D250-S253 PolarHBondContact O-N 3.43Å; D250-S253 VanDerWaalsContact O-N 3.09Å; D250-S253 PolarHBondContact O-OG 3.05Å; D250-L254 PolarHBondContact O-N 3.33Å
251	A	42.8	Very low	38.9	Very low	54 Å²	54	99.9 Å²	99.9	45%	0.446	56%	0.557	S	S	.	*	H	α-helix	trans	-59.9	-26.2	175.4	0	0	0	0	0	111.6	A249 R255	A249-A251 PolarHBondContact O-N 3.26Å; A251-R255 WeakPolarHBondContact O-CG 3.19Å; A251-R255 PolarHBondContact O-N 3.25Å
252	D	41.7	Very low	38.7	Very low	138 Å²	138	102.5 Å²	102.5	74%	0.738	57%	0.573	S	S	*	*	H	α-helix	trans	-76.2	-31.9	174.5	-73.1	-22.1	0	0	0	113.2	D250 R255 G256	D250-D252 PolarHBondContact O-N 3.24Å; D252-R255 PolarHBondContact O-N 2.98Å; D252-G256 PolarHBondContact O-N 2.89Å
253	S	39.8	Very low	38.6	Very low	52 Å²	52	103.4 Å²	103.4	36%	0.364	58%	0.578	S	S	.	*	H	α-helix	trans	-72	-35.9	176.5	77.5	0	0	0	0	112	D250 G256 I257	D250-S253 WeakPolarHBondContact CB-OG 3.3Å; D250-S253 PolarHBondContact O-N 3.43Å; D250-S253 VanDerWaalsContact O-N 3.09Å; D250-S253 PolarHBondContact O-OG 3.05Å; S253-G256 CarbonylContact O-C 3.59Å; S253-G256 PolarHBondContact O-N 2.78Å; S253-I257 WeakPolarHBondContact O-CB 3.47Å; S253-I257 VanDerWaalsContact O-CD1 3.31Å; S253-I257 WeakPolarHBondContact O-CD1 3.41Å; S253-I257 WeakPolarHBondContact O-CG1 3.27Å; S253-I257 PolarHBondContact O-N 2.87Å
254	L	39	Very low	39.1	Very low	129 Å²	129	103.5 Å²	103.5	68%	0.675	59%	0.585	S	S	*	*	H	α-helix	trans	-65.6	-37.2	175.2	-87.4	156.3	0	0	0	112.2	D250 G258	D250-L254 PolarHBondContact O-N 3.33Å; L254-G258 PolarHBondContact O-N 2.64Å
255	R	38.5	Very low	39.8	Very low	143 Å²	143	105.3 Å²	105.3	54%	0.54	60%	0.598	S	S	.	*	H	α-helix	trans	-72.5	-37.3	174	-68.7	177.2	-171.2	-146.6	-1.4	111.4	E222 A251 D252 G258 A259	E222-R255 IonicContact OE1-CZ 3.31Å; E222-R255 IonicContact OE1-NH1 3.32Å; E222-R255 PolarHBondContact OE1-NH1 2.78Å; E222-R255 IonicContact OE1-NH2 2.8Å; E222-R255 IonicContact OE2-NH1 3.74Å; A251-R255 WeakPolarHBondContact O-CG 3.19Å; A251-R255 PolarHBondContact O-N 3.25Å; D252-R255 PolarHBondContact O-N 2.98Å; R255-G258 PolarHBondContact O-N 3.08Å; R255-A259 PolarHBondContact O-N 2.89Å
256	G	44.3	Very low	40.7	Very low	26 Å²	26	102.6 Å²	102.6	27%	0.268	59%	0.585	S	S	.	*	H	α-helix	trans	-64.2	-39.6	171.7	0	0	0	0	0	113.3	D252 S253 G258 A259 I260	D252-G256 PolarHBondContact O-N 2.89Å; S253-G256 CarbonylContact O-C 3.59Å; S253-G256 PolarHBondContact O-N 2.78Å; G256-G258 VanDerWaalsContact C-N 3.29Å; G256-G258 PolarHBondContact O-N 2.8Å; G256-A259 PolarHBondContact O-N 2.93Å; G256-A259 VanDerWaalsContact O-N 3.11Å; G256-I260 WeakPolarHBondContact O-CB 3.41Å; G256-I260 WeakPolarHBondContact O-CD1 3.16Å; G256-I260 WeakPolarHBondContact O-CG1 3.18Å; G256-I260 PolarHBondContact O-N 3.5Å
257	I	38.7	Very low	41.2	Very low	80 Å²	80	95.1 Å²	95.1	41%	0.41	56%	0.56	S	S	.	*	H	α-helix	trans	-60.6	-37.7	177.4	-74.2	160.2	0	0	0	110.9	S253 A259 I260 I261	S253-I257 WeakPolarHBondContact O-CB 3.47Å; S253-I257 VanDerWaalsContact O-CD1 3.31Å; S253-I257 WeakPolarHBondContact O-CD1 3.41Å; S253-I257 WeakPolarHBondContact O-CG1 3.27Å; S253-I257 PolarHBondContact O-N 2.87Å; I257-A259 PolarHBondContact O-N 3.42Å; I257-I260 PolarHBondContact O-N 3.47Å; I257-I261 HydrophobicContact CG2-CD1 3.48Å; I257-I261 VanDerWaalsContact CG2-CD1 3.48Å; I257-I261 HydrophobicContact CG2-CG1 4.16Å; I257-I261 VanDerWaalsContact O-CB 3.28Å; I257-I261 WeakPolarHBondContact O-CB 3.41Å; I257-I261 WeakPolarHBondContact O-CD1 3.45Å; I257-I261 WeakPolarHBondContact O-CG1 3.39Å; I257-I261 PolarHBondContact O-N 3.26Å
258	G	36.5	Very low	41.7	Very low	40 Å²	40	94.4 Å²	94.4	41%	0.412	55%	0.548	S	S	.	.	H	α-helix	trans	-61.7	-41.5	173.5	0	0	0	0	0	113.4	L254 R255 G256 M262	L254-G258 PolarHBondContact O-N 2.64Å; R255-G258 PolarHBondContact O-N 3.08Å; G256-G258 VanDerWaalsContact C-N 3.29Å; G256-G258 PolarHBondContact O-N 2.8Å; G258-M262 VanDerWaalsContact O-CG 3.26Å; G258-M262 WeakPolarHBondContact O-CG 3.31Å; G258-M262 PolarHBondContact O-N 2.74Å
259	A	38.9	Very low	41.9	Very low	53 Å²	53	89.6 Å²	89.6	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-77.1	-30.1	177.8	0	0	0	0	0	113.6	R255 G256 I257 N263	R255-A259 PolarHBondContact O-N 2.89Å; G256-A259 PolarHBondContact O-N 2.93Å; G256-A259 VanDerWaalsContact O-N 3.11Å; I257-A259 PolarHBondContact O-N 3.42Å; A259-N263 PolarHBondContact O-N 2.95Å; A259-N263 PolarHBondContact O-ND2 2.78Å
260	I	42.1	Very low	41.8	Very low	89 Å²	89	95 Å²	95	46%	0.456	53%	0.529	S	S	.	.	H	α-helix	trans	-76.7	-36.8	177.7	-65.4	163.1	0	0	0	110.7	G256 I257 M262 N263 N264 L267	G256-I260 WeakPolarHBondContact O-CB 3.41Å; G256-I260 WeakPolarHBondContact O-CD1 3.16Å; G256-I260 WeakPolarHBondContact O-CG1 3.18Å; G256-I260 PolarHBondContact O-N 3.5Å; I257-I260 PolarHBondContact O-N 3.47Å; I260-M262 VanDerWaalsContact C-N 3.34Å; I260-M262 PolarHBondContact O-N 3.08Å; I260-N263 PolarHBondContact O-N 2.87Å; I260-N264 PolarHBondContact O-N 2.9Å; I260-N264 VanDerWaalsContact O-N 3.14Å; I260-L267 HydrophobicContact CG2-CD1 4.44Å; I260-L267 HydrophobicContact CG2-CD2 3.6Å; I260-L267 HydrophobicContact CG2-CG 4.26Å
261	I	43.8	Very low	41.3	Very low	98 Å²	98	93.2 Å²	93.2	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-64.1	-37.7	174.2	-72.5	167.4	0	0	0	111.5	I257 L267	I257-I261 HydrophobicContact CG2-CD1 3.48Å; I257-I261 VanDerWaalsContact CG2-CD1 3.48Å; I257-I261 HydrophobicContact CG2-CG1 4.16Å; I257-I261 VanDerWaalsContact O-CB 3.28Å; I257-I261 WeakPolarHBondContact O-CB 3.41Å; I257-I261 WeakPolarHBondContact O-CD1 3.45Å; I257-I261 WeakPolarHBondContact O-CG1 3.39Å; I257-I261 PolarHBondContact O-N 3.26Å; I261-L267 HydrophobicContact CB-CD1 4.47Å; I261-L267 HydrophobicContact CG1-CD1 3.53Å
262	M	39	Very low	40.6	Very low	165 Å²	165	91.2 Å²	91.2	81%	0.813	50%	0.498	S	S	*	.	H	α-helix	trans	-75.1	-29.7	-178.5	-70.8	-74.3	-85.8	0	0	113.1	G258 I260	G258-M262 VanDerWaalsContact O-CG 3.26Å; G258-M262 WeakPolarHBondContact O-CG 3.31Å; G258-M262 PolarHBondContact O-N 2.74Å; I260-M262 VanDerWaalsContact C-N 3.34Å; I260-M262 PolarHBondContact O-N 3.08Å
263	N	41.9	Very low	40.3	Very low	138 Å²	138	90.1 Å²	90.1	74%	0.738	49%	0.492	S	S	*	.	H	α-helix	trans	-98.9	-11.5	-175.4	-75.6	-55.1	0	0	0	114.6	A259 I260	A259-N263 PolarHBondContact O-N 2.95Å; A259-N263 PolarHBondContact O-ND2 2.78Å; I260-N263 PolarHBondContact O-N 2.87Å
264	N	45.7	Very low	40.1	Very low	93 Å²	93	92.7 Å²	92.7	50%	0.497	51%	0.505	S	S	.	.			trans	-150.4	95.4	-174.3	-146.4	-7.9	0	0	0	113	I260 A266	I260-N264 PolarHBondContact O-N 2.9Å; I260-N264 VanDerWaalsContact O-N 3.14Å; N264-A266 PolarHBondContact O-N 3.37Å
265	P	47.3	Very low	39.8	Very low	123 Å²	123	88.6 Å²	88.6	80%	0.799	48%	0.484	S	S	*	.	S	Bend	trans	-72.9	9.4	-179.6	29.7	-33.3	0	0	0	114
266	A	49.5	Very low	40.1	Very low	53 Å²	53	85.4 Å²	85.4	44%	0.438	48%	0.48	S	S	.	.			trans	-113.6	47.6	174	0	0	0	0	0	110.9	N264 E268	N264-A266 PolarHBondContact O-N 3.37Å; A266-E268 PolarHBondContact O-N 3.22Å
267	L	45.3	Very low	40	Very low	61 Å²	61	88 Å²	88	32%	0.319	49%	0.488	S	S	.	.			trans	-60.4	105.8	166.2	-86.1	170.8	0	0	0	108.1	I260 I261 N269 N277	I260-L267 HydrophobicContact CG2-CD1 4.44Å; I260-L267 HydrophobicContact CG2-CD2 3.6Å; I260-L267 HydrophobicContact CG2-CG 4.26Å; I261-L267 HydrophobicContact CB-CD1 4.47Å; I261-L267 HydrophobicContact CG1-CD1 3.53Å; L267-N269 PolarHBondContact O-N 3.42Å; L267-N277 WeakPolarHBondContact O-CB 3.27Å; L267-N277 PolarHBondContact O-N 2.94Å
268	E	42.4	Very low	40.7	Very low	107 Å²	107	93.9 Å²	93.9	50%	0.5	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	135	165.4	-72.3	-177.8	-173.2	0	0	108.1	A266 E270 N273 L275 N277	A266-E268 PolarHBondContact O-N 3.22Å; E268-E270 PolarHBondContact O-N 2.97Å; E268-N273 VanDerWaalsContact OE2-CB 3.24Å; E268-N273 WeakPolarHBondContact OE2-CB 3.39Å; E268-L275 CarbonylContact C-O 3.53Å; E268-L275 WeakPolarHBondContact CA-O 3.44Å; E268-N277 PolarHBondContact O-ND2 2.84Å
269	N	40.6	Very low	41.5	Very low	42 Å²	42	98 Å²	98	23%	0.225	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.1	173.9	-175.7	-51.6	0	0	0	107.1	L267 F271 L272 L275 N277	L267-N269 PolarHBondContact O-N 3.42Å; N269-F271 PolarHBondContact O-N 3.29Å; N269-F271 WeakPolarHBondContact OD1-CB 3.44Å; N269-F271 PolarHBondContact OD1-N 3.23Å; N269-L272 HydrophobicContact CB-CB 4.37Å; N269-L272 CarbonylContact O-C 3.49Å; N269-L272 PolarHBondContact O-N 3.07Å; N269-L275 HydrophobicContact CB-CB 3.8Å; N269-L275 WeakPolarHBondContact CB-O 3.24Å; N269-L275 PolarHBondContact N-O 3.28Å; N269-N277 WeakPolarHBondContact CA-OD1 3.06Å; N269-N277 WeakPolarHBondContact CB-OD1 3.33Å; N269-N277 PolarHBondContact ND2-OD1 3.42Å
270	E	39.4	Very low	42	Very low	190 Å²	190	99.9 Å²	99.9	89%	0.888	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25	-174.1	-169	174.4	-172.6	0	0	112.6	E268	E268-E270 PolarHBondContact O-N 2.97Å
271	F	29.4	Very low	42.4	Very low	84 Å²	84	103.4 Å²	103.4	37%	0.368	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-32.7	173.6	-168.9	-123.3	0	0	0	111.8	N269 K822 H825	N269-F271 PolarHBondContact O-N 3.29Å; N269-F271 WeakPolarHBondContact OD1-CB 3.44Å; N269-F271 PolarHBondContact OD1-N 3.23Å; F271-K822 WeakPolarHBondContact CD1-O 3.4Å; F271-K822 WeakPolarHBondContact CE1-O 3.45Å; F271-H825 WeakPolarHBondContact CE2-O 3.37Å; F271-H825 HydrophobicContact CZ-CB 4.26Å; F271-H825 WeakPolarHBondContact CZ-O 3.32Å
272	L	28.9	Very low	42.9	Very low	12 Å²	12	101.2 Å²	101.2	6%	0.063	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	95.8	-162.4	-53.2	164.8	0	0	0	111.5	N269 T274 L275 K822	N269-L272 HydrophobicContact CB-CB 4.37Å; N269-L272 CarbonylContact O-C 3.49Å; N269-L272 PolarHBondContact O-N 3.07Å; L272-T274 PolarHBondContact O-N 2.99Å; L272-L275 HydrophobicContact CB-CB 4.15Å; L272-L275 HydrophobicContact CB-CD1 4.3Å; L272-L275 HydrophobicContact CB-CG 4.38Å; L272-L275 HydrophobicContact CD1-CD1 3.46Å; L272-L275 VanDerWaalsContact CD1-CD1 3.46Å; L272-L275 HydrophobicContact CD1-CG 4.35Å; L272-L275 PolarHBondContact O-N 3.44Å; L272-K822 HydrophobicContact CB-CD 3.96Å; L272-K822 HydrophobicContact CD1-CB 3.4Å; L272-K822 VanDerWaalsContact CD1-CB 3.4Å; L272-K822 HydrophobicContact CD1-CD 3.74Å; L272-K822 HydrophobicContact CD1-CG 3.88Å; L272-K822 HydrophobicContact CD2-CB 3.59Å; L272-K822 HydrophobicContact CD2-CD 3.18Å; L272-K822 VanDerWaalsContact CD2-CE 3.42Å; L272-K822 HydrophobicContact CD2-CG 3.14Å; L272-K822 HydrophobicContact CG-CB 4.04Å; L272-K822 HydrophobicContact CG-CD 3.71Å; L272-K822 HydrophobicContact CG-CG 3.99Å
273	N	35.8	Very low	44	Very low	114 Å²	114	103.7 Å²	103.7	61%	0.61	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	-13.6	-178.8	-58.8	17.4	0	0	0	114.7	E268	E268-N273 VanDerWaalsContact OE2-CB 3.24Å; E268-N273 WeakPolarHBondContact OE2-CB 3.39Å
274	T	34.4	Very low	45	Very low	106 Å²	106	99.4 Å²	99.4	65%	0.65	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	-12.7	173	57.2	0	0	0	0	114.2	L272 K822	L272-T274 PolarHBondContact O-N 2.99Å; T274-K822 PolarHBondContact OG1-NZ 3.1Å
275	L	32.9	Very low	45.8	Very low	43 Å²	43	99 Å²	99	23%	0.225	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.7	178.1	-80.9	-178.2	0	0	0	109.2	E268 N269 L272	E268-L275 CarbonylContact C-O 3.53Å; E268-L275 WeakPolarHBondContact CA-O 3.44Å; N269-L275 HydrophobicContact CB-CB 3.8Å; N269-L275 WeakPolarHBondContact CB-O 3.24Å; N269-L275 PolarHBondContact N-O 3.28Å; L272-L275 HydrophobicContact CB-CB 4.15Å; L272-L275 HydrophobicContact CB-CD1 4.3Å; L272-L275 HydrophobicContact CB-CG 4.38Å; L272-L275 HydrophobicContact CD1-CD1 3.46Å; L272-L275 VanDerWaalsContact CD1-CD1 3.46Å; L272-L275 HydrophobicContact CD1-CG 4.35Å; L272-L275 PolarHBondContact O-N 3.44Å
276	V	44.7	Very low	46.5	Very low	76 Å²	76	96 Å²	96	46%	0.461	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.7	170.2	-176.9	0	0	0	0	107.7	R278	V276-R278 PolarHBondContact O-N 3.23Å
277	N	43.2	Very low	47.7	Very low	80 Å²	80	104.2 Å²	104.2	43%	0.428	53%	0.528	S	S	.	.			trans	-57.1	112.7	169	-79.9	-28.9	0	0	0	108.8	L267 E268 N269	L267-N277 WeakPolarHBondContact O-CB 3.27Å; L267-N277 PolarHBondContact O-N 2.94Å; E268-N277 PolarHBondContact O-ND2 2.84Å; N269-N277 WeakPolarHBondContact CA-OD1 3.06Å; N269-N277 WeakPolarHBondContact CB-OD1 3.33Å; N269-N277 PolarHBondContact ND2-OD1 3.42Å
278	R	52.8	Low	49.4	Very low	204 Å²	204	106.4 Å²	106.4	77%	0.77	54%	0.54	S	S	*	.			trans	-88.2	139.4	177.8	-62.5	-174.8	176.1	-177.6	-2	109.4	V276 A280	V276-R278 PolarHBondContact O-N 3.23Å; R278-A280 PolarHBondContact O-N 3.47Å; R278-A280 VanDerWaalsContact O-N 3.13Å
279	I	53.4	Low	51.5	Low	128 Å²	128	105 Å²	105	66%	0.656	53%	0.53	S	S	*	.			trans	-53.3	120.4	168.9	-57.7	172.8	0	0	0	108.8	F281 K369	I279-F281 WeakPolarHBondContact CG2-O 3.34Å; I279-K369 PolarHBondContact O-NZ 2.86Å
280	A	50.3	Low	53.8	Low	92 Å²	92	108 Å²	108	76%	0.76	55%	0.55	S	S	*	*	S	Bend	trans	-73.7	-44.7	-176.8	0	0	0	0	0	111.6	R278	R278-A280 PolarHBondContact O-N 3.47Å; R278-A280 VanDerWaalsContact O-N 3.13Å
281	F	49.6	Very low	56.2	Low	163 Å²	163	99.2 Å²	99.2	72%	0.715	51%	0.509	S	S	*	.			trans	-153.5	149.4	168.2	57.4	-87.1	0	0	0	107.8	I279 R283	I279-F281 WeakPolarHBondContact CG2-O 3.34Å; F281-R283 HydrophobicContact CE2-CB 4.36Å
282	A	54.8	Low	59.1	Low	51 Å²	51	97.5 Å²	97.5	42%	0.421	51%	0.507	S	S	.	.			trans	-91.2	122.4	171	0	0	0	0	0	108.1	F368	A282-F368 HydrophobicContact CB-CE1 4.15Å
283	R	62.2	Low	62.2	Low	217 Å²	217	97 Å²	97	82%	0.819	51%	0.505	S	S	*	.			trans	-93	112.4	170.5	-178.1	-178.7	177.9	-177.6	-0.4	108.6	F281	F281-R283 HydrophobicContact CE2-CB 4.36Å
284	I	61.8	Low	64.7	Low	48 Å²	48	93.3 Å²	93.3	25%	0.246	49%	0.489	C	S	.	.			trans	-97.5	104.1	176.9	-62.4	149	0	0	0	107.7	S286 F368 G373 E376 L377	I284-S286 PolarHBondContact O-N 2.8Å; I284-F368 HydrophobicContact CD1-CE1 4.2Å; I284-F368 HydrophobicContact CD1-CZ 4.43Å; I284-G373 VanDerWaalsContact CD1-O 3.22Å; I284-G373 WeakPolarHBondContact CD1-O 3.48Å; I284-E376 HydrophobicContact CD1-CB 3.91Å; I284-L377 HydrophobicContact CD1-CB 3.69Å; I284-L377 HydrophobicContact CD1-CD1 4.44Å; I284-L377 HydrophobicContact CG1-CB 4.47Å; I284-L377 HydrophobicContact CG1-CD1 4.33Å; I284-L377 HydrophobicContact CG2-CD1 4.33Å
285	A	63.3	Low	67.2	Low	84 Å²	84	91.8 Å²	91.8	69%	0.694	48%	0.48	S	S	*	.			trans	-87.3	95.6	174.1	0	0	0	0	0	109.3
286	S	62.4	Low	70	Confident	61 Å²	61	89.8 Å²	89.8	43%	0.427	47%	0.469	S	S	.	.			trans	-99	135.3	170.2	-175.3	0	0	0	0	109.9	I284	I284-S286 PolarHBondContact O-N 2.8Å
287	R	73.8	Confident	72.3	Confident	226 Å²	226	88.4 Å²	88.4	85%	0.853	46%	0.457	S	S	*	.			trans	-124.4	134.8	174	-66.4	-175.1	180	-178.8	1.8	109.2	T387	R287-T387 PolarHBondContact O-OG1 3.21Å
288	L	81.5	Confident	74.6	Confident	106 Å²	106	87.1 Å²	87.1	56%	0.555	45%	0.448	S	S	*	.			trans	-90.9	120.4	171.5	-176	67.4	0	0	0	108.7	T387	L288-T387 WeakPolarHBondContact CA-OG1 3.48Å
289	Y	86.5	Confident	76.2	Confident	78 Å²	78	78.9 Å²	78.9	31%	0.306	43%	0.427	S	S	.	.			trans	-87.4	141.3	170.1	-176.6	-101	0	0	0	109.6	T387 A390 Y391	Y289-T387 VanDerWaalsContact CB-CG2 3.46Å; Y289-T387 PolarHBondContact N-OG1 3.15Å; Y289-A390 HydrophobicContact CD1-CB 4.11Å; Y289-Y391 HydrophobicContact CE1-CD2 4.22Å
290	T	87.8	Confident	78	Confident	104 Å²	104	77.3 Å²	77.3	64%	0.638	42%	0.423	S	S	*	.			trans	-123.4	129.7	175.7	-58.5	0	0	0	0	108.6	P292	T290-P292 VanDerWaalsContact O-CD 3.28Å; T290-P292 WeakPolarHBondContact O-CD 3.29Å
291	N	91.6	Very high	79.8	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.032	39%	0.394	C	S	.	.			trans	-68.2	116.4	178.4	176.6	6.4	0	0	0	110.9	L293 A294 A390 E393 F394	N291-L293 PolarHBondContact O-N 2.93Å; N291-L293 WeakPolarHBondContact OD1-CA 3.48Å; N291-L293 WeakPolarHBondContact OD1-CB 3.41Å; N291-L293 PolarHBondContact OD1-N 2.94Å; N291-A294 HydrophobicContact CB-CB 4.07Å; N291-A294 VanDerWaalsContact O-CB 3.24Å; N291-A294 WeakPolarHBondContact O-CB 3.14Å; N291-A294 PolarHBondContact O-N 2.88Å; N291-A294 VanDerWaalsContact O-N 3.15Å; N291-A390 HydrophobicContact CB-CB 4.27Å; N291-A390 WeakPolarHBondContact CB-O 3.4Å; N291-E393 WeakPolarHBondContact ND2-CG 3.36Å; N291-E393 PolarHBondContact ND2-OE2 3.4Å; N291-F394 HydrophobicContact CB-CB 4.47Å; N291-F394 WeakPolarHBondContact OD1-CD2 3.4Å
292	P	90.4	Very high	81.4	Confident	49 Å²	49	73.5 Å²	73.5	32%	0.318	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.5	176.6	-21.8	33.9	0	0	0	113.4	T290 A294 T295 F394 I491	T290-P292 VanDerWaalsContact O-CD 3.28Å; T290-P292 WeakPolarHBondContact O-CD 3.29Å; P292-A294 VanDerWaalsContact C-N 3.29Å; P292-A294 PolarHBondContact O-N 3.47Å; P292-T295 PolarHBondContact O-OG1 3.42Å; P292-F394 HydrophobicContact CG-CE2 4.4Å; P292-I491 HydrophobicContact CB-CG2 3.89Å
293	L	92.3	Very high	82.8	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.01	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-82.1	-4.5	180	-57.9	174.1	0	0	0	112.9	N291 T295 L296 F394 T397 K398 L461 I491 I493	N291-L293 PolarHBondContact O-N 2.93Å; N291-L293 WeakPolarHBondContact OD1-CA 3.48Å; N291-L293 WeakPolarHBondContact OD1-CB 3.41Å; N291-L293 PolarHBondContact OD1-N 2.94Å; L293-T295 PolarHBondContact O-N 3.33Å; L293-T295 VanDerWaalsContact O-N 3.07Å; L293-L296 HydrophobicContact CB-CD1 4.46Å; L293-L296 HydrophobicContact CD2-CD1 4Å; L293-L296 WeakPolarHBondContact O-CB 3.18Å; L293-L296 PolarHBondContact O-N 2.91Å; L293-F394 HydrophobicContact CD1-CD2 3.67Å; L293-F394 HydrophobicContact CD1-CE2 3.79Å; L293-F394 HydrophobicContact CG-CD2 3.91Å; L293-F394 HydrophobicContact CG-CE2 3.98Å; L293-T397 HydrophobicContact CB-CG2 4.25Å; L293-T397 HydrophobicContact CD1-CG2 3.76Å; L293-K398 HydrophobicContact CD1-CG 4.05Å; L293-L461 HydrophobicContact CD2-CD1 4.39Å; L293-L461 HydrophobicContact CD2-CD2 3.67Å; L293-I491 HydrophobicContact CD2-CG2 4.02Å; L293-I493 HydrophobicContact CD2-CG2 4.17Å
294	A	89.6	Confident	83.4	Confident	35 Å²	35	69.7 Å²	69.7	29%	0.289	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-60.1	-21.4	175	0	0	0	0	0	112.6	N291 P292 L296 K297	N291-A294 HydrophobicContact CB-CB 4.07Å; N291-A294 VanDerWaalsContact O-CB 3.24Å; N291-A294 WeakPolarHBondContact O-CB 3.14Å; N291-A294 PolarHBondContact O-N 2.88Å; N291-A294 VanDerWaalsContact O-N 3.15Å; P292-A294 VanDerWaalsContact C-N 3.29Å; P292-A294 PolarHBondContact O-N 3.47Å; A294-L296 PolarHBondContact O-N 2.98Å; A294-K297 HydrophobicContact CB-CD 4.14Å; A294-K297 WeakPolarHBondContact O-CB 3.07Å; A294-K297 VanDerWaalsContact O-CG 3.29Å; A294-K297 WeakPolarHBondContact O-CG 3.09Å; A294-K297 PolarHBondContact O-N 3.06Å
295	T	86.9	Confident	84.2	Confident	75 Å²	75	73.3 Å²	73.3	46%	0.46	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-69.2	-8.4	174.2	62.5	0	0	0	0	113.9	P292 L293 R489 I491	P292-T295 PolarHBondContact O-OG1 3.42Å; L293-T295 PolarHBondContact O-N 3.33Å; L293-T295 VanDerWaalsContact O-N 3.07Å; T295-R489 VanDerWaalsContact C-NH2 3.34Å; T295-R489 PolarHBondContact O-NH2 3.4Å; T295-R489 PolarHBondContact OG1-NH2 3.49Å; T295-I491 WeakPolarHBondContact OG1-CD1 3.44Å
296	L	91.3	Very high	85.2	Confident	0 Å²	0	73 Å²	73	0%	0	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-95	-5.5	175.2	-59.8	176.6	0	0	0	113	L293 A294 V459 I491 I533 E535 V538	L293-L296 HydrophobicContact CB-CD1 4.46Å; L293-L296 HydrophobicContact CD2-CD1 4Å; L293-L296 WeakPolarHBondContact O-CB 3.18Å; L293-L296 PolarHBondContact O-N 2.91Å; A294-L296 PolarHBondContact O-N 2.98Å; L296-V459 HydrophobicContact CD2-CB 4.34Å; L296-V459 HydrophobicContact CD2-CG1 4.26Å; L296-V459 HydrophobicContact CD2-CG2 3.96Å; L296-I491 HydrophobicContact CD2-CD1 4.43Å; L296-I491 HydrophobicContact CG-CD1 4.43Å; L296-I533 HydrophobicContact CD1-CD1 3.86Å; L296-I533 HydrophobicContact CD2-CD1 4.41Å; L296-E535 HydrophobicContact CD2-CG 4Å; L296-V538 HydrophobicContact CB-CB 4.45Å; L296-V538 HydrophobicContact CD1-CG2 4.3Å
297	K	92.5	Very high	86.4	Confident	47 Å²	47	71.5 Å²	71.5	20%	0.204	40%	0.397	C	S	.	.			trans	-67.9	142.8	179.8	-62.1	175	71.4	158.9	0	111.1	A294 E393 I540 D542 Q566	A294-K297 HydrophobicContact CB-CD 4.14Å; A294-K297 WeakPolarHBondContact O-CB 3.07Å; A294-K297 VanDerWaalsContact O-CG 3.29Å; A294-K297 WeakPolarHBondContact O-CG 3.09Å; A294-K297 PolarHBondContact O-N 3.06Å; K297-E393 WeakPolarHBondContact CD-OE1 3.26Å; K297-E393 WeakPolarHBondContact CE-OE1 3.48Å; K297-E393 IonicContact NZ-OE1 3.51Å; K297-E393 PolarHBondContact NZ-OE1 2.76Å; K297-E393 IonicContact NZ-OE2 3.63Å; K297-I540 HydrophobicContact CG-CB 4.29Å; K297-I540 HydrophobicContact CG-CG2 3.97Å; K297-D542 VanDerWaalsContact CE-CG 3.43Å; K297-D542 WeakPolarHBondContact CE-OD1 3.44Å; K297-D542 WeakPolarHBondContact CE-OD2 3.3Å; K297-D542 IonicContact NZ-OD1 2.64Å; K297-D542 PolarHBondContact NZ-OD1 2.91Å; K297-D542 IonicContact NZ-OD2 3.72Å; K297-D542 PolarHBondContact NZ-OD2 3.41Å; K297-Q566 VanDerWaalsContact NZ-NE2 3.2Å
298	K	90.9	Very high	87.2	Confident	53 Å²	53	65.6 Å²	65.6	23%	0.23	38%	0.38	C	S	.	.			trans	-91.6	-13.8	-174.9	-58.8	-58.5	171.2	-174.9	0	114.3	E535 D536 V538 I540 Y541	K298-E535 VanDerWaalsContact CE-O 3.25Å; K298-E535 WeakPolarHBondContact CE-O 3.28Å; K298-E535 PolarHBondContact NZ-O 2.92Å; K298-E535 IonicContact NZ-OE1 3.88Å; K298-D536 IonicContact NZ-OD1 3.79Å; K298-D536 PolarHBondContact NZ-OD1 3Å; K298-V538 WeakPolarHBondContact CE-O 3.3Å; K298-I540 PolarHBondContact N-O 2.89Å; K298-Y541 HydrophobicContact CB-CD1 3.77Å; K298-Y541 HydrophobicContact CB-CE1 3.32Å; K298-Y541 HydrophobicContact CB-CE2 4.23Å; K298-Y541 HydrophobicContact CB-CG 4.39Å; K298-Y541 HydrophobicContact CG-CE1 4.21Å; K298-Y541 HydrophobicContact CG-CE2 4.34Å
299	G	88.3	Confident	87.6	Confident	32 Å²	32	62.7 Å²	62.7	33%	0.33	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-155.5	176.1	0	0	0	0	0	112.4	Y541 D542	G299-Y541 WeakPolarHBondContact O-CA 3.37Å; G299-D542 PolarHBondContact O-N 3.45Å
300	V	90.1	Very high	87.8	Confident	95 Å²	95	63.4 Å²	63.4	58%	0.576	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.3	-175.9	-174.6	0	0	0	0	110.1	D302 D542	V300-D302 WeakPolarHBondContact CG1-OD1 3.3Å; V300-D542 CarbonylContact C-O 3.58Å; V300-D542 WeakPolarHBondContact CA-O 3.12Å; V300-D542 WeakPolarHBondContact CG1-O 3.42Å; V300-D542 HydrophobicContact CG2-CB 4.09Å
301	I	88.4	Confident	88	Confident	29 Å²	29	60.4 Å²	60.4	15%	0.149	35%	0.351	C	S	.	.			trans	-106.6	97.3	169.9	-60.2	169.3	0	0	0	107.8	V303 V307 Y541 D542	I301-V303 VanDerWaalsContact C-N 3.33Å; I301-V303 VanDerWaalsContact CG2-O 3.28Å; I301-V303 WeakPolarHBondContact CG2-O 3.3Å; I301-V307 HydrophobicContact CD1-CG2 3.31Å; I301-V307 HydrophobicContact CG1-CG2 4.5Å; I301-Y541 HydrophobicContact CD1-CD1 3.73Å; I301-Y541 HydrophobicContact CD1-CD2 4.19Å; I301-Y541 HydrophobicContact CD1-CG 3.51Å; I301-Y541 HydrophobicContact CG1-CD1 3.82Å; I301-Y541 HydrophobicContact CG1-CG 4.03Å; I301-D542 PolarHBondContact N-O 3.37Å
302	D	83	Confident	88	Confident	145 Å²	145	64.5 Å²	64.5	78%	0.775	38%	0.376	S	S	*	.	S	Bend	trans	-69.6	-32.7	178.1	-67.3	-26.8	0	0	0	112.4	V300	V300-D302 WeakPolarHBondContact CG1-OD1 3.3Å
303	V	83.7	Confident	88.1	Confident	131 Å²	131	63.5 Å²	63.5	79%	0.794	37%	0.368	S	S	*	.	S	Bend	trans	-142.3	141.4	-177.2	-66.5	0	0	0	0	111.1	I301	I301-V303 VanDerWaalsContact C-N 3.33Å; I301-V303 VanDerWaalsContact CG2-O 3.28Å; I301-V303 WeakPolarHBondContact CG2-O 3.3Å
304	G	76.3	Confident	88.1	Confident	57 Å²	57	68.4 Å²	68.4	59%	0.588	39%	0.393	S	S	*	.			trans	102.2	146.7	-177.2	0	0	0	0	0	112.3
305	E	77	Confident	88.1	Confident	125 Å²	125	71 Å²	71	58%	0.584	41%	0.414	S	S	*	.	S	Bend	trans	-101.6	-27.1	-178.4	-176.6	178.3	176.4	0	0	112.3	M349	E305-M349 PolarHBondContact O-N 3.37Å
306	T	85	Confident	88.1	Confident	78 Å²	78	75.1 Å²	75.1	48%	0.479	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130	-170.5	-46.9	0	0	0	0	110.9	F346 Y347 I348	T306-F346 HydrophobicContact CG2-CB 4.08Å; T306-F346 HydrophobicContact CG2-CD1 3.93Å; T306-F346 HydrophobicContact CG2-CG 4.48Å; T306-Y347 CarbonylContact C-O 3.54Å; T306-Y347 VanDerWaalsContact CA-O 3.27Å; T306-Y347 WeakPolarHBondContact CA-O 3.42Å; T306-I348 HydrophobicContact CG2-CG2 3.98Å
307	V	86.6	Confident	87.9	Confident	29 Å²	29	81.8 Å²	81.8	18%	0.176	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.2	168	179.7	0	0	0	0	108.1	I301 F346 Y347 Y541	I301-V307 HydrophobicContact CD1-CG2 3.31Å; I301-V307 HydrophobicContact CG1-CG2 4.5Å; V307-F346 CarbonylContact O-C 3.52Å; V307-F346 WeakPolarHBondContact O-CA 3.36Å; V307-Y347 HydrophobicContact CB-CD2 3.97Å; V307-Y347 HydrophobicContact CG1-CD2 3.93Å; V307-Y347 PolarHBondContact N-O 2.6Å; V307-Y347 PolarHBondContact O-N 3.37Å; V307-Y541 HydrophobicContact CB-CE2 4.49Å; V307-Y541 HydrophobicContact CG1-CE2 4.17Å; V307-Y541 HydrophobicContact CG2-CD2 4.18Å; V307-Y541 HydrophobicContact CG2-CE2 4.11Å
308	E	91	Very high	87.5	Confident	102 Å²	102	84.3 Å²	84.3	48%	0.477	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.1	175.8	-174.9	-179.4	-177.6	0	0	109.4	I310 A345 F346	E308-I310 HydrophobicContact CG-CD1 4.11Å; E308-I310 HydrophobicContact CG-CG1 3.69Å; E308-A345 WeakPolarHBondContact CA-O 3.45Å; E308-F346 HydrophobicContact CB-CD1 4Å; E308-F346 HydrophobicContact CB-CE1 3.92Å; E308-F346 HydrophobicContact CG-CD1 3.92Å; E308-F346 HydrophobicContact CG-CE1 3.46Å; E308-F346 VanDerWaalsContact CG-CE1 3.46Å; E308-F346 HydrophobicContact CG-CZ 4.07Å
309	D	89.5	Confident	86.9	Confident	44 Å²	44	88.7 Å²	88.7	24%	0.235	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.6	171.7	-175.3	12.5	0	0	0	108.9	T344 A345 Y347 S571 I573	D309-T344 CarbonylContact O-C 3.59Å; D309-T344 VanDerWaalsContact O-CA 3.24Å; D309-T344 WeakPolarHBondContact O-CA 2.87Å; D309-A345 HydrophobicContact CB-CB 4.44Å; D309-A345 PolarHBondContact N-O 3.16Å; D309-A345 PolarHBondContact O-N 2.68Å; D309-Y347 HydrophobicContact CB-CE2 3.74Å; D309-Y347 PolarHBondContact OD2-OH 2.82Å; D309-S571 PolarHBondContact OD2-OG 3.38Å; D309-I573 WeakPolarHBondContact OD2-CD1 3.41Å
310	I	91.8	Very high	86.4	Confident	93 Å²	93	96.8 Å²	96.8	48%	0.477	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.6	-174.9	-52.4	179.8	0	0	0	108.7	E308 V342 T344	E308-I310 HydrophobicContact CG-CD1 4.11Å; E308-I310 HydrophobicContact CG-CG1 3.69Å; I310-V342 HydrophobicContact CG2-CG1 3.46Å; I310-V342 VanDerWaalsContact CG2-CG1 3.46Å; I310-T344 HydrophobicContact CB-CG2 4.47Å; I310-T344 HydrophobicContact CG1-CG2 4.12Å; I310-T344 HydrophobicContact CG2-CG2 4.2Å
311	F	91.4	Very high	85.8	Confident	42 Å²	42	94.5 Å²	94.5	18%	0.184	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.4	175.9	-170.4	-92.8	0	0	0	111.3	V342 R343 V449 I573	F311-V342 CarbonylContact O-C 3.55Å; F311-V342 WeakPolarHBondContact O-CA 3.45Å; F311-R343 PolarHBondContact N-O 3.3Å; F311-R343 PolarHBondContact O-N 3.22Å; F311-V449 HydrophobicContact CD1-CB 3.86Å; F311-V449 HydrophobicContact CD1-CG1 4.02Å; F311-V449 HydrophobicContact CD1-CG2 3.86Å; F311-V449 HydrophobicContact CE1-CB 3.63Å; F311-V449 HydrophobicContact CE1-CG1 4.28Å; F311-V449 HydrophobicContact CE1-CG2 3.7Å; F311-V449 HydrophobicContact CZ-CG2 4.21Å; F311-I573 HydrophobicContact CB-CD1 3.53Å; F311-I573 HydrophobicContact CB-CG1 3.76Å; F311-I573 HydrophobicContact CB-CG2 3.96Å; F311-I573 HydrophobicContact CD1-CG2 4.4Å; F311-I573 HydrophobicContact CD2-CG2 3.31Å; F311-I573 HydrophobicContact CE2-CG2 3.8Å; F311-I573 HydrophobicContact CG-CD1 4.45Å; F311-I573 HydrophobicContact CG-CG1 4.25Å; F311-I573 HydrophobicContact CG-CG2 3.64Å
312	V	92.9	Very high	85.2	Confident	92 Å²	92	97.9 Å²	97.9	56%	0.558	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.3	173.8	-173.6	0	0	0	0	108.5	P340 V342	V312-P340 HydrophobicContact CG1-CB 4.44Å; V312-V342 HydrophobicContact CG1-CG2 4.41Å; V312-V342 HydrophobicContact CG2-CG2 4.15Å
313	N	91.8	Very high	84.7	Confident	27 Å²	27	94.6 Å²	94.6	14%	0.144	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-70.6	161.6	179.6	-157.6	11	0	0	0	111.3	D341 T450	N313-D341 HydrophobicContact CB-CB 3.98Å; N313-D341 WeakPolarHBondContact CB-O 3.3Å; N313-D341 PolarHBondContact N-O 2.93Å; N313-D341 PolarHBondContact ND2-OD2 2.88Å; N313-T450 PolarHBondContact OD1-N 2.84Å; N313-T450 VanDerWaalsContact OD1-N 3.12Å; N313-T450 PolarHBondContact OD1-OG1 3.46Å
314	I	91.2	Very high	84.1	Confident	106 Å²	106	89.7 Å²	89.7	54%	0.544	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.7	178.6	-165.5	171.8	0	0	0	111.1	T450	I314-T450 HydrophobicContact CG2-CG2 4.28Å; I314-T450 VanDerWaalsContact CG2-OG1 3.23Å; I314-T450 WeakPolarHBondContact CG2-OG1 3.34Å
315	A	90.7	Very high	83.5	Confident	89 Å²	89	87.9 Å²	87.9	74%	0.736	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.6	176.8	0	0	0	0	0	111.3	V317	A315-V317 PolarHBondContact O-N 3.49Å
316	K	87	Confident	82.9	Confident	161 Å²	161	86.6 Å²	86.6	70%	0.7	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-64.1	135.1	173	-65.6	179.1	-178.3	175.2	0	110	Y318	K316-Y318 HydrophobicContact CB-CE2 4.09Å; K316-Y318 WeakPolarHBondContact O-CD2 3.33Å
317	V	87.9	Confident	82.1	Confident	140 Å²	140	86.1 Å²	86.1	85%	0.848	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-77.4	136.1	173.6	71.8	0	0	0	0	109.8	A315	A315-V317 PolarHBondContact O-N 3.49Å
318	Y	82.7	Confident	80.9	Confident	101 Å²	101	88.8 Å²	88.8	40%	0.396	51%	0.506	S	S	.	.			trans	-122.4	142.7	172.5	-64.4	-80.6	0	0	0	108.9	K316 E322 I323 Y338	K316-Y318 HydrophobicContact CB-CE2 4.09Å; K316-Y318 WeakPolarHBondContact O-CD2 3.33Å; Y318-E322 WeakPolarHBondContact CA-OE2 3.28Å; Y318-I323 HydrophobicContact CG-CG1 4.44Å; Y318-Y338 HydrophobicContact CD2-CD1 4.39Å; Y318-Y338 HydrophobicContact CD2-CE1 4.15Å; Y318-Y338 HydrophobicContact CE1-CE1 4.25Å; Y318-Y338 AromaticContact CE2-CD1 3.63Å; Y318-Y338 HydrophobicContact CE2-CD1 3.63Å; Y318-Y338 AromaticContact CE2-CE1 3.72Å; Y318-Y338 HydrophobicContact CE2-CE1 3.72Å; Y318-Y338 AromaticContact CZ-CD1 3.83Å; Y318-Y338 AromaticContact CZ-CE1 3.77Å
319	Q	79.4	Confident	79.6	Confident	144 Å²	144	88.2 Å²	88.2	67%	0.673	51%	0.506	S	S	*	.			trans	-70	147.3	170.6	-63.8	-171.2	1	0	0	109.7	G321 E322 I323	Q319-G321 PolarHBondContact O-N 2.81Å; Q319-G321 VanDerWaalsContact O-N 3.09Å; Q319-E322 HydrophobicContact CB-CG 4.12Å; Q319-E322 PolarHBondContact N-OE2 3.07Å; Q319-E322 WeakPolarHBondContact O-CB 3.01Å; Q319-E322 PolarHBondContact O-N 3.35Å; Q319-I323 PolarHBondContact O-N 3.15Å
320	Y	77.4	Confident	78.3	Confident	202 Å²	202	89.4 Å²	89.4	79%	0.792	52%	0.515	S	S	*	.	H	α-helix	trans	-51.9	-38.2	177.9	173.8	-99.5	0	0	0	112.3	E322 I323 A324	Y320-E322 VanDerWaalsContact C-N 3.32Å; Y320-E322 PolarHBondContact O-N 2.87Å; Y320-I323 PolarHBondContact O-N 3.49Å; Y320-A324 HydrophobicContact CD1-CB 4.36Å; Y320-A324 HydrophobicContact CE1-CB 3.95Å; Y320-A324 HydrophobicContact CE2-CB 4.4Å; Y320-A324 VanDerWaalsContact O-CB 3.22Å; Y320-A324 WeakPolarHBondContact O-CB 3.16Å; Y320-A324 PolarHBondContact O-N 3.3Å
321	G	77.5	Confident	76.9	Confident	48 Å²	48	88.6 Å²	88.6	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-28.1	176.9	0	0	0	0	0	114.8	Q319 G325	Q319-G321 PolarHBondContact O-N 2.81Å; Q319-G321 VanDerWaalsContact O-N 3.09Å; G321-G325 WeakPolarHBondContact O-CA 3.44Å; G321-G325 PolarHBondContact O-N 3.25Å
322	E	74.8	Confident	75.8	Confident	100 Å²	100	90.9 Å²	90.9	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-72.7	-38.6	176.3	-65.1	171.2	168.1	0	0	111.1	Y318 Q319 Y320 N333	Y318-E322 WeakPolarHBondContact CA-OE2 3.28Å; Q319-E322 HydrophobicContact CB-CG 4.12Å; Q319-E322 PolarHBondContact N-OE2 3.07Å; Q319-E322 WeakPolarHBondContact O-CB 3.01Å; Q319-E322 PolarHBondContact O-N 3.35Å; Y320-E322 VanDerWaalsContact C-N 3.32Å; Y320-E322 PolarHBondContact O-N 2.87Å; E322-N333 PolarHBondContact O-ND2 3.41Å
323	I	73.2	Confident	75	Confident	75 Å²	75	88.2 Å²	88.2	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-76.1	-47	177.4	-54.7	177.8	0	0	0	110.7	Y318 Q319 Y320 G325 N333	Y318-I323 HydrophobicContact CG-CG1 4.44Å; Q319-I323 PolarHBondContact O-N 3.15Å; Y320-I323 PolarHBondContact O-N 3.49Å; I323-G325 PolarHBondContact O-N 2.89Å; I323-N333 VanDerWaalsContact O-CB 3.32Å; I323-N333 WeakPolarHBondContact O-CB 3.46Å
324	A	71	Confident	74	Confident	29 Å²	29	92.9 Å²	92.9	24%	0.24	55%	0.547	C	S	.	.	H	α-helix	trans	-67	-23.7	-179.8	0	0	0	0	0	112.3	Y320 T330	Y320-A324 HydrophobicContact CD1-CB 4.36Å; Y320-A324 HydrophobicContact CE1-CB 3.95Å; Y320-A324 HydrophobicContact CE2-CB 4.4Å; Y320-A324 VanDerWaalsContact O-CB 3.22Å; Y320-A324 WeakPolarHBondContact O-CB 3.16Å; Y320-A324 PolarHBondContact O-N 3.3Å; A324-T330 WeakPolarHBondContact O-CA 3.49Å; A324-T330 VanDerWaalsContact O-CB 3.24Å; A324-T330 WeakPolarHBondContact O-CB 3.16Å; A324-T330 WeakPolarHBondContact O-CG2 3.49Å; A324-T330 PolarHBondContact O-OG1 3.28Å
325	G	64	Low	73.4	Confident	18 Å²	18	96 Å²	96	19%	0.186	56%	0.557	C	S	.	*			trans	63.4	169.9	-173.5	0	0	0	0	0	112.4	G321 I323 T330	G321-G325 WeakPolarHBondContact O-CA 3.44Å; G321-G325 PolarHBondContact O-N 3.25Å; I323-G325 PolarHBondContact O-N 2.89Å; G325-T330 PolarHBondContact O-OG1 3.37Å
326	S	64.7	Low	72.9	Confident	99 Å²	99	97.6 Å²	97.6	69%	0.692	55%	0.547	S	S	*	.	S	Bend	trans	-127.9	132.1	167.7	70.5	0	0	0	0	109.4
327	G	66.8	Low	72.7	Confident	68 Å²	68	98.9 Å²	98.9	70%	0.701	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	-126.9	-178.8	0	0	0	0	0	113.4	D329 T330	G327-D329 PolarHBondContact O-N 3.19Å; G327-T330 PolarHBondContact O-N 2.95Å; G327-T330 PolarHBondContact O-OG1 3.42Å
328	A	62.2	Low	72.5	Confident	85 Å²	85	96.6 Å²	96.6	70%	0.702	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.3	-177.3	0	0	0	0	0	113	T330	A328-T330 VanDerWaalsContact C-N 3.26Å; A328-T330 PolarHBondContact O-N 3.05Å
329	D	64.5	Low	72.7	Confident	90 Å²	90	100.4 Å²	100.4	48%	0.481	55%	0.551	S	S	.	*	H	α-helix	trans	-72.8	-17.4	-176.3	-65.2	-20.7	0	0	0	113.4	G327 A331 T332 N333	G327-D329 PolarHBondContact O-N 3.19Å; D329-A331 VanDerWaalsContact C-N 3.32Å; D329-A331 PolarHBondContact O-N 3.21Å; D329-T332 VanDerWaalsContact CA-OG1 3.28Å; D329-T332 WeakPolarHBondContact CA-OG1 3.29Å; D329-T332 PolarHBondContact O-N 2.88Å; D329-T332 PolarHBondContact O-OG1 2.79Å; D329-T332 VanDerWaalsContact O-OG1 3.04Å; D329-N333 VanDerWaalsContact O-CB 3.31Å; D329-N333 WeakPolarHBondContact O-CB 3.49Å; D329-N333 PolarHBondContact O-N 3.39Å
330	T	61.2	Low	73.2	Confident	69 Å²	69	98 Å²	98	42%	0.423	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-38.6	178.4	-52.4	0	0	0	0	111.7	A324 G325 G327 A328 L334	A324-T330 WeakPolarHBondContact O-CA 3.49Å; A324-T330 VanDerWaalsContact O-CB 3.24Å; A324-T330 WeakPolarHBondContact O-CB 3.16Å; A324-T330 WeakPolarHBondContact O-CG2 3.49Å; A324-T330 PolarHBondContact O-OG1 3.28Å; G325-T330 PolarHBondContact O-OG1 3.37Å; G327-T330 PolarHBondContact O-N 2.95Å; G327-T330 PolarHBondContact O-OG1 3.42Å; A328-T330 VanDerWaalsContact C-N 3.26Å; A328-T330 PolarHBondContact O-N 3.05Å; T330-L334 WeakPolarHBondContact O-CB 3.44Å; T330-L334 PolarHBondContact O-N 3.34Å
331	A	62.3	Low	73.8	Confident	75 Å²	75	91 Å²	91	62%	0.62	52%	0.524	S	S	*	.	H	α-helix	trans	-77.4	-32.1	179.6	0	0	0	0	0	112.6	D329	D329-A331 VanDerWaalsContact C-N 3.32Å; D329-A331 PolarHBondContact O-N 3.21Å
332	T	69.1	Low	74.4	Confident	90 Å²	90	91.6 Å²	91.6	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-79.4	-40	-179.6	50.2	0	0	0	0	111.9	D329 L334	D329-T332 VanDerWaalsContact CA-OG1 3.28Å; D329-T332 WeakPolarHBondContact CA-OG1 3.29Å; D329-T332 PolarHBondContact O-N 2.88Å; D329-T332 PolarHBondContact O-OG1 2.79Å; D329-T332 VanDerWaalsContact O-OG1 3.04Å; T332-L334 PolarHBondContact O-N 3.07Å
333	N	76	Confident	75.1	Confident	37 Å²	37	92.6 Å²	92.6	20%	0.198	52%	0.517	C	S	.	.	H	α-helix	trans	-72.9	-25.8	179.7	-71.1	-8.4	0	0	0	112.9	E322 I323 D329 F335 K336	E322-N333 PolarHBondContact O-ND2 3.41Å; I323-N333 VanDerWaalsContact O-CB 3.32Å; I323-N333 WeakPolarHBondContact O-CB 3.46Å; D329-N333 VanDerWaalsContact O-CB 3.31Å; D329-N333 WeakPolarHBondContact O-CB 3.49Å; D329-N333 PolarHBondContact O-N 3.39Å; N333-F335 PolarHBondContact O-N 3.38Å; N333-K336 WeakPolarHBondContact O-CB 3.19Å; N333-K336 PolarHBondContact O-N 3.12Å; N333-K336 VanDerWaalsContact O-N 3.09Å
334	L	70.9	Confident	75.9	Confident	124 Å²	124	92.3 Å²	92.3	65%	0.649	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.9	-178.6	-174.9	65.8	0	0	0	113.8	T330 T332	T330-L334 WeakPolarHBondContact O-CB 3.44Å; T330-L334 PolarHBondContact O-N 3.34Å; T332-L334 PolarHBondContact O-N 3.07Å
335	F	77.4	Confident	76.8	Confident	173 Å²	173	91.5 Å²	91.5	76%	0.759	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	12.7	179.6	-60.6	-69.7	0	0	0	113.1	N333 K337	N333-F335 PolarHBondContact O-N 3.38Å; F335-K337 PolarHBondContact O-N 3.33Å
336	K	81.3	Confident	78.1	Confident	122 Å²	122	96.6 Å²	96.6	53%	0.53	53%	0.53	S	S	.	.			trans	-66.6	127	176	-171.8	175.1	-178.2	178.6	0	109	N333 Y338	N333-K336 WeakPolarHBondContact O-CB 3.19Å; N333-K336 PolarHBondContact O-N 3.12Å; N333-K336 VanDerWaalsContact O-N 3.09Å; K336-Y338 HydrophobicContact CB-CE2 4.37Å; K336-Y338 WeakPolarHBondContact O-CD2 3.25Å; K336-Y338 WeakPolarHBondContact O-CE2 3.35Å
337	K	81.9	Confident	79.3	Confident	188 Å²	188	92.6 Å²	92.6	82%	0.817	50%	0.5	S	S	*	.			trans	-78.6	134.5	172.8	-63.6	-178.3	179.7	-178.5	0	108.9	F335	F335-K337 PolarHBondContact O-N 3.33Å
338	Y	84.3	Confident	80.3	Confident	91 Å²	91	93.8 Å²	93.8	36%	0.357	49%	0.489	S	S	.	.			trans	-108.8	107.3	172.6	-63	-93	0	0	0	107.2	Y318 K336	Y318-Y338 HydrophobicContact CD2-CD1 4.39Å; Y318-Y338 HydrophobicContact CD2-CE1 4.15Å; Y318-Y338 HydrophobicContact CE1-CE1 4.25Å; Y318-Y338 AromaticContact CE2-CD1 3.63Å; Y318-Y338 HydrophobicContact CE2-CD1 3.63Å; Y318-Y338 AromaticContact CE2-CE1 3.72Å; Y318-Y338 HydrophobicContact CE2-CE1 3.72Å; Y318-Y338 AromaticContact CZ-CD1 3.83Å; Y318-Y338 AromaticContact CZ-CE1 3.77Å; K336-Y338 HydrophobicContact CB-CE2 4.37Å; K336-Y338 WeakPolarHBondContact O-CD2 3.25Å; K336-Y338 WeakPolarHBondContact O-CE2 3.35Å
339	E	87.1	Confident	81.5	Confident	181 Å²	181	91.5 Å²	91.5	85%	0.846	46%	0.464	S	S	*	.			trans	-74.2	129.2	-179.4	-66.9	176.9	175.4	0	0	109.5
340	P	89.8	Confident	82.4	Confident	93 Å²	93	90 Å²	90	60%	0.604	46%	0.456	S	S	*	.			trans	-66.3	140.6	172.9	27.8	-32.4	0	0	0	110	V312 V342	V312-P340 HydrophobicContact CG1-CB 4.44Å; P340-V342 HydrophobicContact CB-CG2 4.17Å; P340-V342 HydrophobicContact CG-CG2 4.16Å; P340-V342 PolarHBondContact O-N 3.01Å
341	D	89.8	Confident	83.6	Confident	55 Å²	55	86.8 Å²	86.8	29%	0.294	44%	0.436	S	S	.	.			trans	-78.8	100.3	172.9	177.6	18.6	0	0	0	108.4	N313 R343	N313-D341 HydrophobicContact CB-CB 3.98Å; N313-D341 WeakPolarHBondContact CB-O 3.3Å; N313-D341 PolarHBondContact N-O 2.93Å; N313-D341 PolarHBondContact ND2-OD2 2.88Å; D341-R343 IonicContact OD1-CZ 2.81Å; D341-R343 IonicContact OD1-NE 3.84Å; D341-R343 PolarHBondContact OD1-NE 2.84Å; D341-R343 IonicContact OD1-NH2 2.6Å
342	V	90.6	Very high	84.8	Confident	61 Å²	61	88.8 Å²	88.8	37%	0.37	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.5	179.1	-174.7	0	0	0	0	108.5	I310 F311 V312 P340 T344	I310-V342 HydrophobicContact CG2-CG1 3.46Å; I310-V342 VanDerWaalsContact CG2-CG1 3.46Å; F311-V342 CarbonylContact O-C 3.55Å; F311-V342 WeakPolarHBondContact O-CA 3.45Å; V312-V342 HydrophobicContact CG1-CG2 4.41Å; V312-V342 HydrophobicContact CG2-CG2 4.15Å; P340-V342 HydrophobicContact CB-CG2 4.17Å; P340-V342 HydrophobicContact CG-CG2 4.16Å; P340-V342 PolarHBondContact O-N 3.01Å; V342-T344 HydrophobicContact CG1-CG2 4.32Å
343	R	89.6	Confident	85.8	Confident	122 Å²	122	85.6 Å²	85.6	46%	0.46	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140	172.9	-58.1	-58.6	177.5	130	7.8	108.9	F311 D341 V449	F311-R343 PolarHBondContact N-O 3.3Å; F311-R343 PolarHBondContact O-N 3.22Å; D341-R343 IonicContact OD1-CZ 2.81Å; D341-R343 IonicContact OD1-NE 3.84Å; D341-R343 PolarHBondContact OD1-NE 2.84Å; D341-R343 IonicContact OD1-NH2 2.6Å; R343-V449 HydrophobicContact CB-CG1 4.4Å; R343-V449 HydrophobicContact CG-CG1 3.7Å
344	T	90.5	Very high	86.6	Confident	69 Å²	69	86.5 Å²	86.5	42%	0.423	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.2	-178.4	55.9	0	0	0	0	110	D309 I310 V342	D309-T344 CarbonylContact O-C 3.59Å; D309-T344 VanDerWaalsContact O-CA 3.24Å; D309-T344 WeakPolarHBondContact O-CA 2.87Å; I310-T344 HydrophobicContact CB-CG2 4.47Å; I310-T344 HydrophobicContact CG1-CG2 4.12Å; I310-T344 HydrophobicContact CG2-CG2 4.2Å; V342-T344 HydrophobicContact CG1-CG2 4.32Å
345	A	89.8	Confident	87.7	Confident	12 Å²	12	82 Å²	82	10%	0.099	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.6	169.1	0	0	0	0	0	109.3	E308 D309 Y347 P572	E308-A345 WeakPolarHBondContact CA-O 3.45Å; D309-A345 HydrophobicContact CB-CB 4.44Å; D309-A345 PolarHBondContact N-O 3.16Å; D309-A345 PolarHBondContact O-N 2.68Å; A345-Y347 HydrophobicContact CB-CE1 4.28Å; A345-P572 HydrophobicContact CB-CG 3.73Å
346	F	90.7	Very high	88.4	Confident	125 Å²	125	77.6 Å²	77.6	55%	0.548	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.4	179.5	-62.3	-83.7	0	0	0	109.3	T306 V307 E308	T306-F346 HydrophobicContact CG2-CB 4.08Å; T306-F346 HydrophobicContact CG2-CD1 3.93Å; T306-F346 HydrophobicContact CG2-CG 4.48Å; V307-F346 CarbonylContact O-C 3.52Å; V307-F346 WeakPolarHBondContact O-CA 3.36Å; E308-F346 HydrophobicContact CB-CD1 4Å; E308-F346 HydrophobicContact CB-CE1 3.92Å; E308-F346 HydrophobicContact CG-CD1 3.92Å; E308-F346 HydrophobicContact CG-CE1 3.46Å; E308-F346 VanDerWaalsContact CG-CE1 3.46Å; E308-F346 HydrophobicContact CG-CZ 4.07Å
347	Y	90.2	Very high	88.9	Confident	14 Å²	14	73.7 Å²	73.7	6%	0.055	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131	172.7	-42.6	-65.2	0	0	0	108.8	T306 V307 D309 A345 Q539 V570 S571	T306-Y347 CarbonylContact C-O 3.54Å; T306-Y347 VanDerWaalsContact CA-O 3.27Å; T306-Y347 WeakPolarHBondContact CA-O 3.42Å; V307-Y347 HydrophobicContact CB-CD2 3.97Å; V307-Y347 HydrophobicContact CG1-CD2 3.93Å; V307-Y347 PolarHBondContact N-O 2.6Å; V307-Y347 PolarHBondContact O-N 3.37Å; D309-Y347 HydrophobicContact CB-CE2 3.74Å; D309-Y347 PolarHBondContact OD2-OH 2.82Å; A345-Y347 HydrophobicContact CB-CE1 4.28Å; Y347-Q539 HydrophobicContact CD1-CB 4.31Å; Y347-Q539 HydrophobicContact CD2-CB 4.07Å; Y347-Q539 HydrophobicContact CD2-CG 4.2Å; Y347-Q539 HydrophobicContact CE1-CB 4.29Å; Y347-Q539 HydrophobicContact CE1-CG 4.17Å; Y347-Q539 HydrophobicContact CE2-CB 4.03Å; Y347-Q539 HydrophobicContact CE2-CG 3.65Å; Y347-Q539 HydrophobicContact CG-CB 4.22Å; Y347-V570 WeakPolarHBondContact CE1-O 3.39Å; Y347-S571 WeakPolarHBondContact OH-CA 3.29Å; Y347-S571 VanDerWaalsContact OH-CB 3.27Å; Y347-S571 WeakPolarHBondContact OH-CB 3.44Å; Y347-S571 PolarHBondContact OH-OG 3.06Å
348	I	87.6	Confident	89.4	Confident	93 Å²	93	68.4 Å²	68.4	48%	0.477	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.1	178.7	60.7	174	0	0	0	109.2	T306 N350 T567	T306-I348 HydrophobicContact CG2-CG2 3.98Å; I348-N350 PolarHBondContact O-N 3.49Å; I348-T567 WeakPolarHBondContact O-CG2 3.48Å
349	M	86.5	Confident	89.5	Confident	38 Å²	38	64.1 Å²	64.1	19%	0.187	34%	0.336	C	S	.	.			trans	-57.4	113.5	171.3	-179.1	-173.9	53.3	0	0	109.6	E305 Q352 N543 W565 T567	E305-M349 PolarHBondContact O-N 3.37Å; M349-Q352 HydrophobicContact CE-CG 4.35Å; M349-Q352 HydrophobicContact SD-CG 4.15Å; M349-N543 HydrophobicContact SD-CB 4.06Å; M349-W565 HydrophobicContact SD-CB 3.94Å; M349-W565 HydrophobicContact SD-CE3 4.21Å; M349-T567 VanDerWaalsContact CA-OG1 3.31Å; M349-T567 WeakPolarHBondContact CA-OG1 3.46Å; M349-T567 PolarHBondContact N-OG1 2.91Å
350	N	84.1	Confident	89.5	Confident	57 Å²	57	56.9 Å²	56.9	31%	0.305	30%	0.303	S	S	.	.			trans	-114.3	-9.3	-176.3	56.4	-4.5	0	0	0	113	I348 Q566 Y568	I348-N350 PolarHBondContact O-N 3.49Å; N350-Q566 PolarHBondContact OD1-O 3.28Å; N350-Y568 PolarHBondContact ND2-O 2.86Å; N350-Y568 WeakPolarHBondContact OD1-CB 3.38Å; N350-Y568 PolarHBondContact OD1-N 3.36Å
351	S	85.1	Confident	89.2	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.4	179.9	-169.5	0	0	0	0	111.8	L353 W565 Q566 Y568	S351-L353 WeakPolarHBondContact OG-CG 3.45Å; S351-W565 CarbonylContact O-C 3.57Å; S351-W565 VanDerWaalsContact O-CA 3.27Å; S351-W565 WeakPolarHBondContact O-CA 3.44Å; S351-Q566 PolarHBondContact N-O 3.5Å; S351-Q566 PolarHBondContact O-N 2.78Å; S351-Y568 VanDerWaalsContact CB-CE2 3.45Å
352	Q	88.6	Confident	88.9	Confident	118 Å²	118	57.9 Å²	57.9	55%	0.551	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	72.2	176.2	-68.5	-177.8	3.9	0	0	109.8	M349 W565	M349-Q352 HydrophobicContact CE-CG 4.35Å; M349-Q352 HydrophobicContact SD-CG 4.15Å; Q352-W565 HydrophobicContact CB-CD2 4.46Å; Q352-W565 HydrophobicContact CB-CG 4.17Å; Q352-W565 HydrophobicContact CG-CB 4.39Å; Q352-W565 HydrophobicContact CG-CD2 4.09Å; Q352-W565 HydrophobicContact CG-CG 4Å
353	L	90.8	Very high	88.3	Confident	23 Å²	23	61.5 Å²	61.5	12%	0.12	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	147.8	-178.3	-53.7	-178.9	0	0	0	110.6	S351 Y355 I396 A507 M564	S351-L353 WeakPolarHBondContact OG-CG 3.45Å; L353-Y355 HydrophobicContact CB-CE2 3.92Å; L353-Y355 WeakPolarHBondContact CD1-OH 3.46Å; L353-I396 HydrophobicContact CD1-CD1 4.16Å; L353-A507 HydrophobicContact CD1-CB 4.21Å; L353-A507 HydrophobicContact CD2-CB 4.12Å; L353-M564 HydrophobicContact CD1-CE 4.41Å; L353-M564 PolarHBondContact N-O 3.5Å; L353-M564 CarbonylContact O-C 3.56Å; L353-M564 PolarHBondContact O-N 2.88Å
354	T	92.7	Very high	87.7	Confident	56 Å²	56	57.7 Å²	57.7	34%	0.344	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.3	172.3	-59.1	0	0	0	0	108.8	P356 F561 L562 H563	T354-P356 WeakPolarHBondContact O-CD 3.19Å; T354-F561 HydrophobicContact CG2-CB 4.21Å; T354-F561 HydrophobicContact CG2-CD1 4.25Å; T354-L562 CarbonylContact C-O 3.52Å; T354-L562 VanDerWaalsContact CA-O 3.28Å; T354-L562 WeakPolarHBondContact CA-O 3.45Å; T354-H563 PolarHBondContact OG1-ND1 3.32Å
355	Y	93.6	Very high	87.1	Confident	28 Å²	28	60 Å²	60	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	90.7	-179.1	-57.5	-91.2	0	0	0	109.5	L353 V385 A388 A389 D392 L562 M564	L353-Y355 HydrophobicContact CB-CE2 3.92Å; L353-Y355 WeakPolarHBondContact CD1-OH 3.46Å; Y355-V385 HydrophobicContact CG-CG1 4.37Å; Y355-A388 HydrophobicContact CD1-CB 4.13Å; Y355-A388 HydrophobicContact CE1-CB 4.21Å; Y355-A389 HydrophobicContact CD2-CB 4.4Å; Y355-A389 HydrophobicContact CE2-CB 4.04Å; Y355-D392 WeakPolarHBondContact CE1-OD2 3.44Å; Y355-D392 VanDerWaalsContact CZ-OD2 3.31Å; Y355-D392 WeakPolarHBondContact OH-CB 3.5Å; Y355-D392 PolarHBondContact OH-OD2 3.03Å; Y355-L562 HydrophobicContact CD2-CB 4.46Å; Y355-L562 HydrophobicContact CD2-CD2 4.34Å; Y355-L562 HydrophobicContact CD2-CG 4.48Å; Y355-L562 PolarHBondContact N-O 3.05Å; Y355-L562 PolarHBondContact O-N 2.72Å; Y355-L562 VanDerWaalsContact O-N 3.14Å; Y355-M564 HydrophobicContact CE2-CB 4.16Å; Y355-M564 HydrophobicContact CE2-CE 3.38Å; Y355-M564 WeakPolarHBondContact OH-CE 3.35Å
356	P	92.6	Very high	86.1	Confident	82 Å²	82	64.8 Å²	64.8	53%	0.532	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.9	177.8	31.8	-33.9	0	0	0	111.2	T354 Y560 F561	T354-P356 WeakPolarHBondContact O-CD 3.19Å; P356-Y560 CarbonylContact C-O 3.53Å; P356-Y560 VanDerWaalsContact CA-O 3.29Å; P356-Y560 WeakPolarHBondContact CA-O 3.4Å; P356-F561 HydrophobicContact CB-CD1 3.73Å; P356-F561 HydrophobicContact CB-CE1 3.79Å
357	V	91.8	Very high	84.9	Confident	39 Å²	39	62.5 Å²	62.5	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132	170	177.4	0	0	0	0	110.7	I381 V385 Y560	V357-I381 HydrophobicContact CG1-CG2 3.26Å; V357-V385 HydrophobicContact CB-CG2 4.02Å; V357-V385 HydrophobicContact CG2-CG2 3.31Å; V357-Y560 PolarHBondContact N-O 3.13Å; V357-Y560 PolarHBondContact O-N 2.98Å
358	T	90.6	Very high	83.9	Confident	77 Å²	77	63.6 Å²	63.6	47%	0.472	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.7	-179	-58.7	0	0	0	0	111.1	D557 H558 N559	T358-D557 HydrophobicContact CG2-CB 3.69Å; T358-H558 CarbonylContact C-O 3.42Å; T358-H558 WeakPolarHBondContact CA-O 3.47Å; T358-N559 VanDerWaalsContact CB-OD1 3.32Å; T358-N559 WeakPolarHBondContact CB-OD1 3.36Å; T358-N559 WeakPolarHBondContact CG2-OD1 3.47Å; T358-N559 PolarHBondContact OG1-OD1 2.73Å
359	V	87.1	Confident	83.3	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	112.5	176.5	180	0	0	0	0	109.6	R361 L364 I378 I381 H558 Y560	V359-R361 HydrophobicContact CG1-CG 4.08Å; V359-R361 PolarHBondContact O-N 3.15Å; V359-L364 HydrophobicContact CG1-CD1 3.75Å; V359-I378 HydrophobicContact CG1-CD1 4.18Å; V359-I378 HydrophobicContact CG1-CG1 3.82Å; V359-I378 HydrophobicContact CG1-CG2 4.33Å; V359-I381 HydrophobicContact CG2-CG2 3.99Å; V359-H558 PolarHBondContact N-O 2.99Å; V359-H558 PolarHBondContact O-N 2.89Å; V359-Y560 HydrophobicContact CB-CE2 4.11Å; V359-Y560 HydrophobicContact CG2-CD2 4.09Å; V359-Y560 HydrophobicContact CG2-CE2 3.8Å
360	N	87.5	Confident	83	Confident	28 Å²	28	67.8 Å²	67.8	15%	0.15	37%	0.374	C	S	.	.			trans	-92.3	93	170.7	-166	-47.5	0	0	0	110.5	A362 M363 L364 T555 D557	N360-A362 VanDerWaalsContact C-N 3.26Å; N360-A362 PolarHBondContact O-N 3.4Å; N360-A362 PolarHBondContact OD1-N 3.3Å; N360-A362 VanDerWaalsContact OD1-N 3.11Å; N360-M363 HydrophobicContact CB-CB 4.11Å; N360-M363 HydrophobicContact CB-CG 4.44Å; N360-M363 PolarHBondContact O-N 2.73Å; N360-M363 PolarHBondContact OD1-N 3.28Å; N360-L364 WeakPolarHBondContact O-CB 2.76Å; N360-L364 VanDerWaalsContact O-CG 3.26Å; N360-L364 WeakPolarHBondContact O-CG 3.1Å; N360-L364 PolarHBondContact O-N 2.85Å; N360-T555 PolarHBondContact ND2-O 3.32Å; N360-T555 VanDerWaalsContact ND2-O 3.15Å; N360-D557 WeakPolarHBondContact CB-OD1 3.21Å; N360-D557 PolarHBondContact ND2-OD1 3.48Å
361	R	83.4	Confident	82.9	Confident	112 Å²	112	72.8 Å²	72.8	42%	0.423	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-32.9	-179.4	-63.6	-173.5	-178.9	171.6	2.1	112.6	V359 K365 I378 Y560	V359-R361 HydrophobicContact CG1-CG 4.08Å; V359-R361 PolarHBondContact O-N 3.15Å; R361-K365 WeakPolarHBondContact O-CB 2.96Å; R361-K365 PolarHBondContact O-N 3.24Å; R361-K365 VanDerWaalsContact O-N 3.13Å; R361-I378 HydrophobicContact CG-CD1 3.92Å; R361-Y560 PolarHBondContact NH2-OH 3.33Å
362	A	82.9	Confident	82.8	Confident	58 Å²	58	76.1 Å²	76.1	48%	0.479	41%	0.413	S	S	.	.	H	α-helix	trans	-69.4	-40.7	-178	0	0	0	0	0	112	N360 L556	N360-A362 VanDerWaalsContact C-N 3.26Å; N360-A362 PolarHBondContact O-N 3.4Å; N360-A362 PolarHBondContact OD1-N 3.3Å; N360-A362 VanDerWaalsContact OD1-N 3.11Å; A362-L556 HydrophobicContact CB-CB 4.34Å; A362-L556 HydrophobicContact CB-CD1 4.13Å
363	M	78	Confident	82.3	Confident	137 Å²	137	71 Å²	71	68%	0.675	39%	0.392	S	S	*	.	H	α-helix	trans	-73.8	-43.5	173.8	-72.2	-172.9	141.5	0	0	111.9	N360 K365 S366	N360-M363 HydrophobicContact CB-CB 4.11Å; N360-M363 HydrophobicContact CB-CG 4.44Å; N360-M363 PolarHBondContact O-N 2.73Å; N360-M363 PolarHBondContact OD1-N 3.28Å; M363-K365 PolarHBondContact O-N 3.37Å; M363-S366 PolarHBondContact O-N 2.81Å; M363-S366 VanDerWaalsContact O-N 3.08Å; M363-S366 PolarHBondContact O-OG 3.14Å
364	L	77.1	Confident	81.7	Confident	41 Å²	41	70.3 Å²	70.3	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-59.6	-30.3	179.1	-74.7	173.1	0	0	0	112.6	V359 N360 S366 A367 F368 M374 L377 I378	V359-L364 HydrophobicContact CG1-CD1 3.75Å; N360-L364 WeakPolarHBondContact O-CB 2.76Å; N360-L364 VanDerWaalsContact O-CG 3.26Å; N360-L364 WeakPolarHBondContact O-CG 3.1Å; N360-L364 PolarHBondContact O-N 2.85Å; L364-S366 PolarHBondContact O-N 2.64Å; L364-S366 VanDerWaalsContact O-N 3.11Å; L364-A367 PolarHBondContact O-N 2.9Å; L364-F368 WeakPolarHBondContact O-CD2 3.28Å; L364-F368 PolarHBondContact O-N 3.48Å; L364-M374 HydrophobicContact CB-CG 4.29Å; L364-M374 HydrophobicContact CB-SD 4.39Å; L364-L377 HydrophobicContact CD2-CD2 3.96Å; L364-I378 HydrophobicContact CD1-CG1 4.34Å
365	K	77.4	Confident	81.4	Confident	118 Å²	118	71.3 Å²	71.3	51%	0.513	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.4	176	-172.8	178.6	178.4	-175	0	113.6	R361 M363 W371 M374	R361-K365 WeakPolarHBondContact O-CB 2.96Å; R361-K365 PolarHBondContact O-N 3.24Å; R361-K365 VanDerWaalsContact O-N 3.13Å; M363-K365 PolarHBondContact O-N 3.37Å; K365-W371 HydrophobicContact CD-CH2 3.84Å; K365-W371 HydrophobicContact CD-CZ2 4.31Å; K365-W371 HydrophobicContact CD-CZ3 4.48Å; K365-M374 HydrophobicContact CB-SD 4.42Å
366	S	69.7	Low	80.8	Confident	112 Å²	112	74.7 Å²	74.7	78%	0.783	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.4	178.6	69.8	0	0	0	0	113.3	M363 L364	M363-S366 PolarHBondContact O-N 2.81Å; M363-S366 VanDerWaalsContact O-N 3.08Å; M363-S366 PolarHBondContact O-OG 3.14Å; L364-S366 PolarHBondContact O-N 2.64Å; L364-S366 VanDerWaalsContact O-N 3.11Å
367	A	66.3	Low	80.3	Confident	77 Å²	77	73 Å²	73	64%	0.636	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-23.4	179	0	0	0	0	0	113.1	L364	L364-A367 PolarHBondContact O-N 2.9Å
368	F	69	Low	80	Confident	38 Å²	38	71.4 Å²	71.4	17%	0.167	38%	0.384	C	S	.	.			trans	-107.9	135.3	-176.2	-69	-79.2	0	0	0	112.9	A282 I284 L364 G373 M374 L377	A282-F368 HydrophobicContact CB-CE1 4.15Å; I284-F368 HydrophobicContact CD1-CE1 4.2Å; I284-F368 HydrophobicContact CD1-CZ 4.43Å; L364-F368 WeakPolarHBondContact O-CD2 3.28Å; L364-F368 PolarHBondContact O-N 3.48Å; F368-G373 WeakPolarHBondContact CE1-O 3.36Å; F368-M374 HydrophobicContact CB-CB 4.07Å; F368-M374 HydrophobicContact CD2-CB 3.69Å; F368-M374 HydrophobicContact CD2-CG 3.88Å; F368-M374 HydrophobicContact CE2-CB 4.32Å; F368-M374 HydrophobicContact CE2-CG 4.36Å; F368-M374 HydrophobicContact CG-CB 3.86Å; F368-L377 HydrophobicContact CE2-CB 4.13Å; F368-L377 HydrophobicContact CE2-CD2 3.55Å; F368-L377 HydrophobicContact CE2-CG 4.44Å; F368-L377 HydrophobicContact CZ-CB 3.65Å; F368-L377 HydrophobicContact CZ-CD2 3.53Å; F368-L377 HydrophobicContact CZ-CG 4.11Å
369	K	75.6	Confident	79.8	Confident	154 Å²	154	72.4 Å²	72.4	67%	0.67	39%	0.386	S	S	*	.	S	Bend	trans	-82.9	-13.1	172.6	-65.8	178.3	-177	162.8	0	113.5	I279	I279-K369 PolarHBondContact O-NZ 2.86Å
370	S	79.2	Confident	79.7	Confident	65 Å²	65	72.9 Å²	72.9	46%	0.455	39%	0.392	S	S	.	.	S	Bend	trans	-136.4	148	-178.7	68	0	0	0	0	110.7	S372 G373	S370-S372 VanDerWaalsContact C-N 3.33Å; S370-G373 PolarHBondContact OG-N 3.23Å
371	W	82.6	Confident	79.7	Confident	161 Å²	161	73.6 Å²	73.6	61%	0.61	40%	0.395	S	S	*	.	H	α-helix	trans	-64.7	-38.1	174.8	-67.9	101.6	0	0	0	112	K365 G373 M374 D375	K365-W371 HydrophobicContact CD-CH2 3.84Å; K365-W371 HydrophobicContact CD-CZ2 4.31Å; K365-W371 HydrophobicContact CD-CZ3 4.48Å; W371-G373 PolarHBondContact O-N 2.82Å; W371-M374 HydrophobicContact CE3-CE 3.56Å; W371-M374 HydrophobicContact CZ3-CE 3.72Å; W371-M374 WeakPolarHBondContact O-CB 3.38Å; W371-M374 PolarHBondContact O-N 3.08Å; W371-M374 VanDerWaalsContact O-N 3.16Å; W371-D375 PolarHBondContact O-N 3.18Å
372	S	81.8	Confident	79.9	Confident	73 Å²	73	69.9 Å²	69.9	51%	0.51	38%	0.384	S	S	.	.	H	α-helix	trans	-57.7	-45.2	178.7	-164.9	0	0	0	0	112.8	S370 M374 D375 E376	S370-S372 VanDerWaalsContact C-N 3.33Å; S372-M374 VanDerWaalsContact C-N 3.29Å; S372-M374 PolarHBondContact O-N 2.67Å; S372-D375 PolarHBondContact O-N 2.84Å; S372-E376 WeakPolarHBondContact O-CG 3.42Å; S372-E376 PolarHBondContact O-N 2.82Å
373	G	78.1	Confident	80.1	Confident	11 Å²	11	70.7 Å²	70.7	11%	0.113	38%	0.377	C	S	.	.	H	α-helix	trans	-66.3	-33.5	179.4	0	0	0	0	0	112.6	I284 F368 S370 W371 L377	I284-G373 VanDerWaalsContact CD1-O 3.22Å; I284-G373 WeakPolarHBondContact CD1-O 3.48Å; F368-G373 WeakPolarHBondContact CE1-O 3.36Å; S370-G373 PolarHBondContact OG-N 3.23Å; W371-G373 PolarHBondContact O-N 2.82Å; G373-L377 PolarHBondContact O-N 2.65Å
374	M	79.7	Confident	80.5	Confident	7 Å²	7	67 Å²	67	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-68.6	-45.2	174.7	-172.3	-170.5	71.7	0	0	111.3	L364 K365 F368 W371 S372 E376 L377 I378	L364-M374 HydrophobicContact CB-CG 4.29Å; L364-M374 HydrophobicContact CB-SD 4.39Å; K365-M374 HydrophobicContact CB-SD 4.42Å; F368-M374 HydrophobicContact CB-CB 4.07Å; F368-M374 HydrophobicContact CD2-CB 3.69Å; F368-M374 HydrophobicContact CD2-CG 3.88Å; F368-M374 HydrophobicContact CE2-CB 4.32Å; F368-M374 HydrophobicContact CE2-CG 4.36Å; F368-M374 HydrophobicContact CG-CB 3.86Å; W371-M374 HydrophobicContact CE3-CE 3.56Å; W371-M374 HydrophobicContact CZ3-CE 3.72Å; W371-M374 WeakPolarHBondContact O-CB 3.38Å; W371-M374 PolarHBondContact O-N 3.08Å; W371-M374 VanDerWaalsContact O-N 3.16Å; S372-M374 VanDerWaalsContact C-N 3.29Å; S372-M374 PolarHBondContact O-N 2.67Å; M374-E376 VanDerWaalsContact C-N 3.34Å; M374-E376 PolarHBondContact O-N 2.97Å; M374-L377 WeakPolarHBondContact O-CB 2.98Å; M374-L377 PolarHBondContact O-N 3.36Å; M374-L377 VanDerWaalsContact O-N 3.14Å; M374-I378 HydrophobicContact CE-CD1 4.09Å; M374-I378 HydrophobicContact CG-CD1 3.96Å; M374-I378 VanDerWaalsContact O-CG1 3.28Å; M374-I378 WeakPolarHBondContact O-CG1 3.24Å; M374-I378 PolarHBondContact O-N 2.89Å; M374-I378 HydrophobicContact SD-CD1 4.46Å
375	D	84.9	Confident	81.2	Confident	77 Å²	77	65.2 Å²	65.2	41%	0.412	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-35.9	179.7	-70.6	-23.7	0	0	0	112	W371 S372 L377 I378 N379	W371-D375 PolarHBondContact O-N 3.18Å; S372-D375 PolarHBondContact O-N 2.84Å; D375-L377 VanDerWaalsContact C-N 3.32Å; D375-L377 PolarHBondContact O-N 3.35Å; D375-I378 PolarHBondContact O-N 3.02Å; D375-N379 WeakPolarHBondContact O-CB 3.39Å; D375-N379 VanDerWaalsContact O-CG 3.3Å; D375-N379 PolarHBondContact O-N 2.92Å; D375-N379 PolarHBondContact O-ND2 2.76Å
376	E	82.5	Confident	81.8	Confident	100 Å²	100	63.1 Å²	63.1	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-39.9	170.5	-77.1	174.1	-155.7	0	0	112	I284 S372 M374 G380	I284-E376 HydrophobicContact CD1-CB 3.91Å; S372-E376 WeakPolarHBondContact O-CG 3.42Å; S372-E376 PolarHBondContact O-N 2.82Å; M374-E376 VanDerWaalsContact C-N 3.34Å; M374-E376 PolarHBondContact O-N 2.97Å; E376-G380 PolarHBondContact O-N 3.38Å
377	L	81.9	Confident	82.9	Confident	46 Å²	46	59.4 Å²	59.4	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-47.3	176.9	-179	69.4	0	0	0	110.2	I284 L364 F368 G373 M374 D375 N379 G380 I381	I284-L377 HydrophobicContact CD1-CB 3.69Å; I284-L377 HydrophobicContact CD1-CD1 4.44Å; I284-L377 HydrophobicContact CG1-CB 4.47Å; I284-L377 HydrophobicContact CG1-CD1 4.33Å; I284-L377 HydrophobicContact CG2-CD1 4.33Å; L364-L377 HydrophobicContact CD2-CD2 3.96Å; F368-L377 HydrophobicContact CE2-CB 4.13Å; F368-L377 HydrophobicContact CE2-CD2 3.55Å; F368-L377 HydrophobicContact CE2-CG 4.44Å; F368-L377 HydrophobicContact CZ-CB 3.65Å; F368-L377 HydrophobicContact CZ-CD2 3.53Å; F368-L377 HydrophobicContact CZ-CG 4.11Å; G373-L377 PolarHBondContact O-N 2.65Å; M374-L377 WeakPolarHBondContact O-CB 2.98Å; M374-L377 PolarHBondContact O-N 3.36Å; M374-L377 VanDerWaalsContact O-N 3.14Å; D375-L377 VanDerWaalsContact C-N 3.32Å; D375-L377 PolarHBondContact O-N 3.35Å; L377-N379 VanDerWaalsContact C-N 3.29Å; L377-N379 PolarHBondContact O-N 3.45Å; L377-G380 CarbonylContact O-C 3.57Å; L377-G380 WeakPolarHBondContact O-CA 3.46Å; L377-G380 PolarHBondContact O-N 2.95Å; L377-G380 VanDerWaalsContact O-N 3.09Å; L377-I381 HydrophobicContact CD1-CD1 4.42Å; L377-I381 HydrophobicContact CD1-CG1 4.47Å; L377-I381 HydrophobicContact CD2-CD1 4.23Å; L377-I381 HydrophobicContact CG-CD1 3.9Å; L377-I381 HydrophobicContact CG-CG1 4.35Å; L377-I381 VanDerWaalsContact O-CG1 3.3Å; L377-I381 WeakPolarHBondContact O-CG1 3.46Å; L377-I381 PolarHBondContact O-N 3.29Å
378	I	85.7	Confident	84.1	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-43.9	179.7	-66.3	169.3	0	0	0	110.2	V359 R361 L364 M374 D375 I381 I382	V359-I378 HydrophobicContact CG1-CD1 4.18Å; V359-I378 HydrophobicContact CG1-CG1 3.82Å; V359-I378 HydrophobicContact CG1-CG2 4.33Å; R361-I378 HydrophobicContact CG-CD1 3.92Å; L364-I378 HydrophobicContact CD1-CG1 4.34Å; M374-I378 HydrophobicContact CE-CD1 4.09Å; M374-I378 HydrophobicContact CG-CD1 3.96Å; M374-I378 VanDerWaalsContact O-CG1 3.28Å; M374-I378 WeakPolarHBondContact O-CG1 3.24Å; M374-I378 PolarHBondContact O-N 2.89Å; M374-I378 HydrophobicContact SD-CD1 4.46Å; D375-I378 PolarHBondContact O-N 3.02Å; I378-I381 PolarHBondContact O-N 3.14Å; I378-I382 HydrophobicContact CG2-CD1 4.07Å; I378-I382 WeakPolarHBondContact O-CG1 3.31Å; I378-I382 PolarHBondContact O-N 3.33Å
379	N	86	Confident	85.2	Confident	97 Å²	97	54.8 Å²	54.8	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-42.8	174.4	-75.3	-28.9	0	0	0	111.5	D375 L377 I381 I382 Q383	D375-N379 WeakPolarHBondContact O-CB 3.39Å; D375-N379 VanDerWaalsContact O-CG 3.3Å; D375-N379 PolarHBondContact O-N 2.92Å; D375-N379 PolarHBondContact O-ND2 2.76Å; L377-N379 VanDerWaalsContact C-N 3.29Å; L377-N379 PolarHBondContact O-N 3.45Å; N379-I381 VanDerWaalsContact C-N 3.3Å; N379-I381 PolarHBondContact O-N 3.34Å; N379-I382 PolarHBondContact O-N 2.8Å; N379-Q383 VanDerWaalsContact O-CG 3.29Å; N379-Q383 WeakPolarHBondContact O-CG 3.39Å; N379-Q383 PolarHBondContact O-N 3.18Å
380	G	85.5	Confident	86	Confident	13 Å²	13	48.3 Å²	48.3	13%	0.134	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-38.1	175.4	0	0	0	0	0	113.4	E376 L377 Q383 S384	E376-G380 PolarHBondContact O-N 3.38Å; L377-G380 CarbonylContact O-C 3.57Å; L377-G380 WeakPolarHBondContact O-CA 3.46Å; L377-G380 PolarHBondContact O-N 2.95Å; L377-G380 VanDerWaalsContact O-N 3.09Å; G380-Q383 PolarHBondContact O-N 3.42Å; G380-S384 PolarHBondContact O-N 2.98Å
381	I	87.3	Confident	86.7	Confident	42 Å²	42	48.8 Å²	48.8	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-41.3	174.1	-69.3	170.3	0	0	0	111	V357 V359 L377 I378 N379 S384	V357-I381 HydrophobicContact CG1-CG2 3.26Å; V359-I381 HydrophobicContact CG2-CG2 3.99Å; L377-I381 HydrophobicContact CD1-CD1 4.42Å; L377-I381 HydrophobicContact CD1-CG1 4.47Å; L377-I381 HydrophobicContact CD2-CD1 4.23Å; L377-I381 HydrophobicContact CG-CD1 3.9Å; L377-I381 HydrophobicContact CG-CG1 4.35Å; L377-I381 VanDerWaalsContact O-CG1 3.3Å; L377-I381 WeakPolarHBondContact O-CG1 3.46Å; L377-I381 PolarHBondContact O-N 3.29Å; I378-I381 PolarHBondContact O-N 3.14Å; N379-I381 VanDerWaalsContact C-N 3.3Å; N379-I381 PolarHBondContact O-N 3.34Å; I381-S384 PolarHBondContact O-N 2.85Å; I381-S384 PolarHBondContact O-OG 2.82Å
382	I	87	Confident	87.2	Confident	35 Å²	35	41.7 Å²	41.7	18%	0.179	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-38.9	176.8	-67	167.2	0	0	0	110.8	I378 N379 S384 V385 Y386 M547 Y560	I378-I382 HydrophobicContact CG2-CD1 4.07Å; I378-I382 WeakPolarHBondContact O-CG1 3.31Å; I378-I382 PolarHBondContact O-N 3.33Å; N379-I382 PolarHBondContact O-N 2.8Å; I382-S384 VanDerWaalsContact C-N 3.35Å; I382-S384 PolarHBondContact O-N 3.29Å; I382-V385 WeakPolarHBondContact O-CB 2.98Å; I382-V385 PolarHBondContact O-N 3.25Å; I382-Y386 HydrophobicContact CG2-CE2 4.08Å; I382-Y386 WeakPolarHBondContact O-CD2 3.46Å; I382-M547 HydrophobicContact CG2-CE 4.42Å; I382-Y560 HydrophobicContact CD1-CE1 4.3Å; I382-Y560 HydrophobicContact CD1-CE2 4.44Å
383	Q	87.7	Confident	87.7	Confident	74 Å²	74	38.7 Å²	38.7	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-68.1	-31.3	177.9	-67.8	-59	-28.9	0	0	113	N379 G380 V385 Y386 T387	N379-Q383 VanDerWaalsContact O-CG 3.29Å; N379-Q383 WeakPolarHBondContact O-CG 3.39Å; N379-Q383 PolarHBondContact O-N 3.18Å; G380-Q383 PolarHBondContact O-N 3.42Å; Q383-V385 PolarHBondContact O-N 3.41Å; Q383-Y386 PolarHBondContact O-N 3.44Å; Q383-T387 PolarHBondContact O-N 3.01Å; Q383-T387 VanDerWaalsContact O-N 3.08Å; Q383-T387 PolarHBondContact O-OG1 3.34Å
384	S	86.5	Confident	88.5	Confident	59 Å²	59	38.5 Å²	38.5	41%	0.413	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-29.9	177.7	75.8	0	0	0	0	112.5	G380 I381 I382 T387 A388	G380-S384 PolarHBondContact O-N 2.98Å; I381-S384 PolarHBondContact O-N 2.85Å; I381-S384 PolarHBondContact O-OG 2.82Å; I382-S384 VanDerWaalsContact C-N 3.35Å; I382-S384 PolarHBondContact O-N 3.29Å; S384-T387 PolarHBondContact O-N 3.49Å; S384-A388 VanDerWaalsContact O-CB 3.31Å; S384-A388 WeakPolarHBondContact O-CB 3.37Å; S384-A388 PolarHBondContact O-N 3Å
385	V	90.3	Very high	89.1	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-42.5	176.8	178.8	0	0	0	0	111.9	Y355 V357 I382 Q383 A388 A389 M547 L562	Y355-V385 HydrophobicContact CG-CG1 4.37Å; V357-V385 HydrophobicContact CB-CG2 4.02Å; V357-V385 HydrophobicContact CG2-CG2 3.31Å; I382-V385 WeakPolarHBondContact O-CB 2.98Å; I382-V385 PolarHBondContact O-N 3.25Å; Q383-V385 PolarHBondContact O-N 3.41Å; V385-A388 PolarHBondContact O-N 2.95Å; V385-A389 PolarHBondContact O-N 2.89Å; V385-M547 HydrophobicContact CB-CE 4.44Å; V385-M547 HydrophobicContact CG1-CE 4.11Å; V385-L562 HydrophobicContact CG1-CB 3.39Å; V385-L562 HydrophobicContact CG1-CD2 3.66Å; V385-L562 HydrophobicContact CG1-CG 4.15Å
386	Y	91.5	Very high	89.4	Confident	75 Å²	75	34.6 Å²	34.6	29%	0.294	18%	0.182	S	C	.	.	H	α-helix	trans	-69	-39.7	175.6	-68.1	-75.6	0	0	0	112.1	I382 Q383 A388 A389 A390 F545 M547 L562	I382-Y386 HydrophobicContact CG2-CE2 4.08Å; I382-Y386 WeakPolarHBondContact O-CD2 3.46Å; Q383-Y386 PolarHBondContact O-N 3.44Å; Y386-A388 VanDerWaalsContact C-N 3.33Å; Y386-A388 PolarHBondContact O-N 3.17Å; Y386-A389 PolarHBondContact O-N 3Å; Y386-A390 PolarHBondContact O-N 3.47Å; Y386-F545 HydrophobicContact CD1-CE1 4.17Å; Y386-F545 HydrophobicContact CD1-CZ 4.02Å; Y386-F545 HydrophobicContact CE1-CE1 4.03Å; Y386-F545 HydrophobicContact CE1-CZ 4.26Å; Y386-M547 HydrophobicContact CE2-CE 3.76Å; Y386-L562 HydrophobicContact CD1-CD2 4.01Å; Y386-L562 HydrophobicContact CE1-CD1 3.94Å; Y386-L562 HydrophobicContact CE1-CD2 4.24Å
387	T	91.8	Very high	89.8	Confident	33 Å²	33	29.9 Å²	29.9	20%	0.202	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-43.7	172.7	-68.9	0	0	0	0	111.3	R287 L288 Y289 Q383 S384 A390 Y391	R287-T387 PolarHBondContact O-OG1 3.21Å; L288-T387 WeakPolarHBondContact CA-OG1 3.48Å; Y289-T387 VanDerWaalsContact CB-CG2 3.46Å; Y289-T387 PolarHBondContact N-OG1 3.15Å; Q383-T387 PolarHBondContact O-N 3.01Å; Q383-T387 VanDerWaalsContact O-N 3.08Å; Q383-T387 PolarHBondContact O-OG1 3.34Å; S384-T387 PolarHBondContact O-N 3.49Å; T387-A390 PolarHBondContact O-N 2.69Å; T387-Y391 WeakPolarHBondContact O-CB 3.37Å; T387-Y391 PolarHBondContact O-N 3.01Å
388	A	91.2	Very high	90.3	Very high	18 Å²	18	27.8 Å²	27.8	15%	0.149	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43.7	177.2	0	0	0	0	0	112	Y355 S384 V385 Y386 Y391 D392 R503	Y355-A388 HydrophobicContact CD1-CB 4.13Å; Y355-A388 HydrophobicContact CE1-CB 4.21Å; S384-A388 VanDerWaalsContact O-CB 3.31Å; S384-A388 WeakPolarHBondContact O-CB 3.37Å; S384-A388 PolarHBondContact O-N 3Å; V385-A388 PolarHBondContact O-N 2.95Å; Y386-A388 VanDerWaalsContact C-N 3.33Å; Y386-A388 PolarHBondContact O-N 3.17Å; A388-Y391 PolarHBondContact O-N 3.09Å; A388-D392 PolarHBondContact O-N 2.99Å; A388-R503 PolarHBondContact O-NH2 3.2Å; A388-R503 VanDerWaalsContact O-NH2 3.16Å
389	A	92.6	Very high	90.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-48	175.8	0	0	0	0	0	112.4	Y355 V385 Y386 Y391 D392 E393 F545 L562 M564	Y355-A389 HydrophobicContact CD2-CB 4.4Å; Y355-A389 HydrophobicContact CE2-CB 4.04Å; V385-A389 PolarHBondContact O-N 2.89Å; Y386-A389 PolarHBondContact O-N 3Å; A389-Y391 VanDerWaalsContact C-N 3.33Å; A389-Y391 PolarHBondContact O-N 3.38Å; A389-D392 PolarHBondContact O-N 3.38Å; A389-E393 PolarHBondContact O-N 3.39Å; A389-E393 VanDerWaalsContact O-N 3.07Å; A389-F545 HydrophobicContact CB-CE2 4.37Å; A389-L562 HydrophobicContact CB-CD2 3.79Å; A389-M564 VanDerWaalsContact CA-CE 3.43Å; A389-M564 HydrophobicContact CB-CE 3.42Å; A389-M564 VanDerWaalsContact CB-CE 3.42Å; A389-M564 HydrophobicContact CB-SD 3.92Å; A389-M564 WeakPolarHBondContact O-CE 3.38Å
390	A	92.9	Very high	90.7	Very high	17 Å²	17	24.1 Å²	24.1	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-36.4	178.7	0	0	0	0	0	112.8	Y289 N291 Y386 T387 F394	Y289-A390 HydrophobicContact CD1-CB 4.11Å; N291-A390 HydrophobicContact CB-CB 4.27Å; N291-A390 WeakPolarHBondContact CB-O 3.4Å; Y386-A390 PolarHBondContact O-N 3.47Å; T387-A390 PolarHBondContact O-N 2.69Å; A390-F394 WeakPolarHBondContact O-CB 3.39Å; A390-F394 PolarHBondContact O-N 3.41Å; A390-F394 VanDerWaalsContact O-N 3.12Å
391	Y	93.3	Very high	90.9	Very high	76 Å²	76	23.6 Å²	23.6	30%	0.298	12%	0.122	S	C	.	.	H	α-helix	trans	-70.4	-40.8	177.8	-177.1	-112.9	0	0	0	112.6	Y289 T387 A388 A389 F394 N395 D500	Y289-Y391 HydrophobicContact CE1-CD2 4.22Å; T387-Y391 WeakPolarHBondContact O-CB 3.37Å; T387-Y391 PolarHBondContact O-N 3.01Å; A388-Y391 PolarHBondContact O-N 3.09Å; A389-Y391 VanDerWaalsContact C-N 3.33Å; A389-Y391 PolarHBondContact O-N 3.38Å; Y391-F394 WeakPolarHBondContact O-CB 3.41Å; Y391-F394 PolarHBondContact O-N 2.99Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.32Å; Y391-N395 PolarHBondContact O-N 3.16Å; Y391-N395 PolarHBondContact O-ND2 3.39Å; Y391-D500 HydrophobicContact CE1-CB 4.17Å
392	D	92.9	Very high	90.9	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.064	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-43.2	175.5	-74.1	-24.8	0	0	0	111.9	Y355 A388 A389 F394 N395 I396 R503	Y355-D392 WeakPolarHBondContact CE1-OD2 3.44Å; Y355-D392 VanDerWaalsContact CZ-OD2 3.31Å; Y355-D392 WeakPolarHBondContact OH-CB 3.5Å; Y355-D392 PolarHBondContact OH-OD2 3.03Å; A388-D392 PolarHBondContact O-N 2.99Å; A389-D392 PolarHBondContact O-N 3.38Å; D392-F394 VanDerWaalsContact C-N 3.28Å; D392-F394 PolarHBondContact O-N 3.34Å; D392-N395 PolarHBondContact O-N 2.9Å; D392-I396 WeakPolarHBondContact O-CB 3.01Å; D392-I396 VanDerWaalsContact O-CG1 3.24Å; D392-I396 WeakPolarHBondContact O-CG1 3.48Å; D392-I396 PolarHBondContact O-N 2.64Å; D392-R503 IonicContact OD1-CZ 3.87Å; D392-R503 IonicContact OD1-NE 2.82Å; D392-R503 PolarHBondContact OD1-NE 3.1Å; D392-R503 IonicContact OD1-NH2 3.84Å; D392-R503 PolarHBondContact OD1-NH2 2.84Å; D392-R503 VanDerWaalsContact OD1-NH2 3.09Å; D392-R503 IonicContact OD2-CZ 3.23Å; D392-R503 IonicContact OD2-NE 3.16Å; D392-R503 IonicContact OD2-NH2 3.8Å; D392-R503 PolarHBondContact OD2-NH2 3.49Å
393	E	92.8	Very high	90.9	Very high	10 Å²	10	21.6 Å²	21.6	5%	0.047	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-39.2	175.8	-175.2	-176	-137.1	0	0	111.9	N291 K297 A389 T397 Q566 Y568	N291-E393 WeakPolarHBondContact ND2-CG 3.36Å; N291-E393 PolarHBondContact ND2-OE2 3.4Å; K297-E393 WeakPolarHBondContact CD-OE1 3.26Å; K297-E393 WeakPolarHBondContact CE-OE1 3.48Å; K297-E393 IonicContact NZ-OE1 3.51Å; K297-E393 PolarHBondContact NZ-OE1 2.76Å; K297-E393 IonicContact NZ-OE2 3.63Å; A389-E393 PolarHBondContact O-N 3.39Å; A389-E393 VanDerWaalsContact O-N 3.07Å; E393-T397 WeakPolarHBondContact O-CB 3.45Å; E393-T397 PolarHBondContact O-N 3.21Å; E393-T397 PolarHBondContact O-OG1 3.16Å; E393-Q566 PolarHBondContact OE1-NE2 3.05Å; E393-Y568 HydrophobicContact CG-CE1 4.27Å
394	F	93.6	Very high	90.8	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-49.6	174.2	178.3	-113.3	0	0	0	111.5	N291 P292 L293 A390 Y391 D392 T397 K398 I493 D494	N291-F394 HydrophobicContact CB-CB 4.47Å; N291-F394 WeakPolarHBondContact OD1-CD2 3.4Å; P292-F394 HydrophobicContact CG-CE2 4.4Å; L293-F394 HydrophobicContact CD1-CD2 3.67Å; L293-F394 HydrophobicContact CD1-CE2 3.79Å; L293-F394 HydrophobicContact CG-CD2 3.91Å; L293-F394 HydrophobicContact CG-CE2 3.98Å; A390-F394 WeakPolarHBondContact O-CB 3.39Å; A390-F394 PolarHBondContact O-N 3.41Å; A390-F394 VanDerWaalsContact O-N 3.12Å; Y391-F394 WeakPolarHBondContact O-CB 3.41Å; Y391-F394 PolarHBondContact O-N 2.99Å; D392-F394 VanDerWaalsContact C-N 3.28Å; D392-F394 PolarHBondContact O-N 3.34Å; F394-T397 PolarHBondContact O-N 2.99Å; F394-K398 HydrophobicContact CD1-CD 4.48Å; F394-K398 HydrophobicContact CE1-CD 3.85Å; F394-K398 HydrophobicContact CE2-CD 4.12Å; F394-K398 HydrophobicContact CE2-CG 4.35Å; F394-K398 HydrophobicContact CZ-CD 3.65Å; F394-K398 HydrophobicContact CZ-CG 4.36Å; F394-K398 WeakPolarHBondContact O-CG 3.15Å; F394-K398 PolarHBondContact O-N 3.47Å; F394-I493 HydrophobicContact CE2-CG2 4.2Å; F394-I493 HydrophobicContact CZ-CG2 4.48Å; F394-D494 WeakPolarHBondContact CZ-OD1 3.24Å
395	N	92.7	Very high	90.8	Very high	2 Å²	2	18 Å²	18	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-42.2	178.8	-75.6	-39.8	0	0	0	112.9	Y391 D392 T397 K398 Y399 L504	Y391-N395 WeakPolarHBondContact CE1-ND2 3.32Å; Y391-N395 PolarHBondContact O-N 3.16Å; Y391-N395 PolarHBondContact O-ND2 3.39Å; D392-N395 PolarHBondContact O-N 2.9Å; N395-T397 VanDerWaalsContact C-N 3.35Å; N395-T397 PolarHBondContact O-N 3.29Å; N395-K398 PolarHBondContact O-N 2.88Å; N395-Y399 WeakPolarHBondContact O-CB 3.42Å; N395-Y399 PolarHBondContact O-N 3.06Å; N395-L504 HydrophobicContact CB-CD2 4.35Å
396	I	92	Very high	90.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-45.9	176.5	-70.8	164.6	0	0	0	110.3	L353 D392 K398 Y399 L400 L504 A507 F508 Y568	L353-I396 HydrophobicContact CD1-CD1 4.16Å; D392-I396 WeakPolarHBondContact O-CB 3.01Å; D392-I396 VanDerWaalsContact O-CG1 3.24Å; D392-I396 WeakPolarHBondContact O-CG1 3.48Å; D392-I396 PolarHBondContact O-N 2.64Å; I396-K398 PolarHBondContact O-N 3.44Å; I396-Y399 PolarHBondContact O-N 3.49Å; I396-L400 HydrophobicContact CG2-CD1 4.02Å; I396-L400 HydrophobicContact CG2-CG 4.46Å; I396-L400 VanDerWaalsContact O-CG 3.3Å; I396-L400 WeakPolarHBondContact O-CG 3.49Å; I396-L400 PolarHBondContact O-N 2.88Å; I396-L504 HydrophobicContact CG1-CD2 4.12Å; I396-A507 HydrophobicContact CD1-CB 4.16Å; I396-F508 HydrophobicContact CB-CZ 4.48Å; I396-F508 HydrophobicContact CG1-CE2 3.93Å; I396-F508 HydrophobicContact CG1-CZ 4.12Å; I396-F508 HydrophobicContact CG2-CE2 4.33Å; I396-F508 HydrophobicContact CG2-CZ 3.8Å; I396-Y568 HydrophobicContact CB-CE1 4.05Å; I396-Y568 HydrophobicContact CD1-CE2 4.06Å; I396-Y568 HydrophobicContact CG2-CD1 3.43Å; I396-Y568 VanDerWaalsContact CG2-CD1 3.43Å; I396-Y568 HydrophobicContact CG2-CD2 4.05Å; I396-Y568 HydrophobicContact CG2-CE1 3.4Å; I396-Y568 VanDerWaalsContact CG2-CE1 3.4Å; I396-Y568 HydrophobicContact CG2-CE2 4.03Å; I396-Y568 HydrophobicContact CG2-CG 3.75Å
397	T	91.8	Very high	89.8	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-43	179.7	-52.6	0	0	0	0	111.7	L293 E393 F394 N395 L400 I401 V538 I540	L293-T397 HydrophobicContact CB-CG2 4.25Å; L293-T397 HydrophobicContact CD1-CG2 3.76Å; E393-T397 WeakPolarHBondContact O-CB 3.45Å; E393-T397 PolarHBondContact O-N 3.21Å; E393-T397 PolarHBondContact O-OG1 3.16Å; F394-T397 PolarHBondContact O-N 2.99Å; N395-T397 VanDerWaalsContact C-N 3.35Å; N395-T397 PolarHBondContact O-N 3.29Å; T397-L400 PolarHBondContact O-N 2.68Å; T397-I401 PolarHBondContact O-N 2.73Å; T397-V538 HydrophobicContact CG2-CG1 4.25Å; T397-I540 HydrophobicContact CG2-CD1 3.89Å; T397-I540 VanDerWaalsContact OG1-CD1 3.26Å; T397-I540 WeakPolarHBondContact OG1-CD1 3.43Å
398	K	91.8	Very high	88.8	Confident	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-43.6	174.6	-70.8	-164.5	-59.4	171.4	0	111.9	L293 F394 N395 I396 L400 I401 G402 D494 G495 L496 H498 L499	L293-K398 HydrophobicContact CD1-CG 4.05Å; F394-K398 HydrophobicContact CD1-CD 4.48Å; F394-K398 HydrophobicContact CE1-CD 3.85Å; F394-K398 HydrophobicContact CE2-CD 4.12Å; F394-K398 HydrophobicContact CE2-CG 4.35Å; F394-K398 HydrophobicContact CZ-CD 3.65Å; F394-K398 HydrophobicContact CZ-CG 4.36Å; F394-K398 WeakPolarHBondContact O-CG 3.15Å; F394-K398 PolarHBondContact O-N 3.47Å; N395-K398 PolarHBondContact O-N 2.88Å; I396-K398 PolarHBondContact O-N 3.44Å; K398-L400 PolarHBondContact O-N 2.92Å; K398-I401 PolarHBondContact O-N 3.09Å; K398-G402 PolarHBondContact O-N 3.02Å; K398-D494 IonicContact NZ-OD1 2.9Å; K398-D494 PolarHBondContact NZ-OD1 3.05Å; K398-D494 IonicContact NZ-OD2 2.86Å; K398-D494 PolarHBondContact NZ-OD2 2.8Å; K398-G495 WeakPolarHBondContact CD-O 3.11Å; K398-G495 PolarHBondContact NZ-O 3.01Å; K398-G495 VanDerWaalsContact NZ-O 3.16Å; K398-L496 HydrophobicContact CB-CD2 4.28Å; K398-L496 HydrophobicContact CG-CD2 4.36Å; K398-H498 PolarHBondContact NZ-O 2.83Å; K398-L499 HydrophobicContact CB-CD2 3.73Å
399	Y	90.8	Very high	88	Confident	6 Å²	6	27 Å²	27	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-45.3	177.6	172.5	-101.4	0	0	0	111.8	N395 I396 I401 G402 Q403 L499 L504 F508 Y514 T515 P517	N395-Y399 WeakPolarHBondContact O-CB 3.42Å; N395-Y399 PolarHBondContact O-N 3.06Å; I396-Y399 PolarHBondContact O-N 3.49Å; Y399-I401 PolarHBondContact O-N 2.64Å; Y399-G402 PolarHBondContact O-N 3.46Å; Y399-Q403 VanDerWaalsContact O-CB 3.3Å; Y399-Q403 WeakPolarHBondContact O-CB 3.49Å; Y399-Q403 PolarHBondContact O-N 2.83Å; Y399-Q403 PolarHBondContact OH-NE2 3.34Å; Y399-L499 HydrophobicContact CD2-CD1 4.24Å; Y399-L504 HydrophobicContact CD2-CD1 4.15Å; Y399-L504 HydrophobicContact CG-CD1 4.3Å; Y399-L504 HydrophobicContact CG-CD2 4.36Å; Y399-F508 AromaticContact CD1-CE2 3.9Å; Y399-F508 HydrophobicContact CD1-CE2 3.9Å; Y399-F508 HydrophobicContact CD1-CZ 4.27Å; Y399-F508 HydrophobicContact CE1-CE2 4.21Å; Y399-Y514 HydrophobicContact CD2-CE2 4.48Å; Y399-Y514 AromaticContact CE1-CD2 3.73Å; Y399-Y514 HydrophobicContact CE1-CD2 3.73Å; Y399-Y514 AromaticContact CE1-CE2 3.96Å; Y399-Y514 HydrophobicContact CE1-CE2 3.96Å; Y399-Y514 HydrophobicContact CE2-CD2 4.25Å; Y399-Y514 AromaticContact CE2-CE2 3.79Å; Y399-Y514 HydrophobicContact CE2-CE2 3.79Å; Y399-Y514 AromaticContact CZ-CD2 3.47Å; Y399-Y514 VanDerWaalsContact CZ-CD2 3.47Å; Y399-Y514 AromaticContact CZ-CE2 3.49Å; Y399-Y514 VanDerWaalsContact CZ-CE2 3.49Å; Y399-Y514 WeakPolarHBondContact OH-CD2 3.22Å; Y399-Y514 WeakPolarHBondContact OH-CE2 3.39Å; Y399-T515 PolarHBondContact OH-N 3.48Å; Y399-T515 VanDerWaalsContact OH-N 3.08Å; Y399-T515 PolarHBondContact OH-O 3.36Å; Y399-P517 HydrophobicContact CD2-CG 3.87Å; Y399-P517 HydrophobicContact CE2-CG 3.69Å
400	L	88.5	Confident	87.5	Confident	21 Å²	21	27.4 Å²	27.4	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-47.2	178.2	-68.5	163.7	0	0	0	111.8	I396 T397 K398 H404 Y568 V570	I396-L400 HydrophobicContact CG2-CD1 4.02Å; I396-L400 HydrophobicContact CG2-CG 4.46Å; I396-L400 VanDerWaalsContact O-CG 3.3Å; I396-L400 WeakPolarHBondContact O-CG 3.49Å; I396-L400 PolarHBondContact O-N 2.88Å; T397-L400 PolarHBondContact O-N 2.68Å; K398-L400 PolarHBondContact O-N 2.92Å; L400-H404 PolarHBondContact O-CD2 3.31Å; L400-H404 PolarHBondContact O-N 2.81Å; L400-Y568 HydrophobicContact CD1-CD1 3.99Å; L400-Y568 HydrophobicContact CD1-CG 4.27Å; L400-V570 HydrophobicContact CB-CG2 4.35Å
401	I	89.5	Confident	87.1	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-46.6	177.5	-63	173.6	0	0	0	110.1	T397 K398 Y399 Q403 H404 I405 L461 L496 V531 V538	T397-I401 PolarHBondContact O-N 2.73Å; K398-I401 PolarHBondContact O-N 3.09Å; Y399-I401 PolarHBondContact O-N 2.64Å; I401-Q403 PolarHBondContact O-N 3.13Å; I401-H404 PolarHBondContact O-N 2.99Å; I401-I405 HydrophobicContact CG2-CD1 4.07Å; I401-I405 WeakPolarHBondContact O-CG1 3.41Å; I401-I405 PolarHBondContact O-N 2.95Å; I401-L461 HydrophobicContact CD1-CD1 3.56Å; I401-L496 HydrophobicContact CG2-CD1 4.27Å; I401-L496 HydrophobicContact CG2-CD2 4.36Å; I401-V531 HydrophobicContact CG2-CG2 4.42Å; I401-V538 HydrophobicContact CD1-CG2 4.29Å
402	G	88.5	Confident	86.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-44.1	179.1	0	0	0	0	0	112.9	K398 Y399 H404 I405 L406	K398-G402 PolarHBondContact O-N 3.02Å; Y399-G402 PolarHBondContact O-N 3.46Å; G402-H404 VanDerWaalsContact C-N 3.33Å; G402-H404 PolarHBondContact O-N 2.82Å; G402-I405 WeakPolarHBondContact O-CB 3.28Å; G402-I405 PolarHBondContact O-N 3.36Å; G402-I405 VanDerWaalsContact O-N 3.12Å; G402-L406 WeakPolarHBondContact O-CG 3.37Å; G402-L406 PolarHBondContact O-N 3.49Å
403	Q	86.7	Confident	86.2	Confident	35 Å²	35	30.4 Å²	30.4	16%	0.164	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-38.9	178	-164.4	-179.2	16.9	0	0	111.5	Y399 I401 L406 N407 T515	Y399-Q403 VanDerWaalsContact O-CB 3.3Å; Y399-Q403 WeakPolarHBondContact O-CB 3.49Å; Y399-Q403 PolarHBondContact O-N 2.83Å; Y399-Q403 PolarHBondContact OH-NE2 3.34Å; I401-Q403 PolarHBondContact O-N 3.13Å; Q403-L406 PolarHBondContact O-N 3.37Å; Q403-N407 WeakPolarHBondContact O-CB 3.38Å; Q403-N407 PolarHBondContact O-N 2.93Å; Q403-N407 PolarHBondContact O-ND2 3.25Å; Q403-N407 VanDerWaalsContact O-ND2 3.17Å; Q403-T515 PolarHBondContact NE2-OG1 3.02Å
404	H	85.1	Confident	85.2	Confident	49 Å²	49	32.4 Å²	32.4	23%	0.227	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-33.7	173.9	-83.8	-74.5	0	0	0	113.3	L400 I401 G402 G408 L410	L400-H404 PolarHBondContact O-CD2 3.31Å; L400-H404 PolarHBondContact O-N 2.81Å; I401-H404 PolarHBondContact O-N 2.99Å; G402-H404 VanDerWaalsContact C-N 3.33Å; G402-H404 PolarHBondContact O-N 2.82Å; H404-G408 PolarHBondContact O-N 2.96Å; H404-L410 HydrophobicContact CB-CD1 3.73Å; H404-L410 HydrophobicContact CB-CD2 4.07Å; H404-L410 HydrophobicContact CB-CG 3.95Å
405	I	85.9	Confident	84.2	Confident	10 Å²	10	32.4 Å²	32.4	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-47.7	172.7	-65.3	170.1	0	0	0	110.4	I401 G402 N407 G408 L410 L496 F524 L525 V528 V531 A578 I580	I401-I405 HydrophobicContact CG2-CD1 4.07Å; I401-I405 WeakPolarHBondContact O-CG1 3.41Å; I401-I405 PolarHBondContact O-N 2.95Å; G402-I405 WeakPolarHBondContact O-CB 3.28Å; G402-I405 PolarHBondContact O-N 3.36Å; G402-I405 VanDerWaalsContact O-N 3.12Å; I405-N407 VanDerWaalsContact C-N 3.29Å; I405-N407 PolarHBondContact O-N 3.02Å; I405-G408 PolarHBondContact O-N 3.24Å; I405-L410 HydrophobicContact CG1-CD1 3.66Å; I405-L496 HydrophobicContact CD1-CD1 3.48Å; I405-L496 VanDerWaalsContact CD1-CD1 3.48Å; I405-F524 HydrophobicContact CG2-CE1 4.03Å; I405-L525 HydrophobicContact CB-CD2 4.25Å; I405-L525 HydrophobicContact CG2-CD2 4.26Å; I405-V528 HydrophobicContact CD1-CG1 4.42Å; I405-V528 HydrophobicContact CG2-CG2 4.49Å; I405-V531 HydrophobicContact CD1-CG2 3.94Å; I405-A578 HydrophobicContact CD1-CB 4.28Å; I405-A578 HydrophobicContact CG1-CB 4.25Å; I405-I580 HydrophobicContact CG2-CD1 4.07Å
406	L	82.5	Confident	83.2	Confident	49 Å²	49	36.3 Å²	36.3	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-37.7	178.7	-69.4	169.8	0	0	0	112.1	G402 Q403 G408 D521 F524 L525	G402-L406 WeakPolarHBondContact O-CG 3.37Å; G402-L406 PolarHBondContact O-N 3.49Å; Q403-L406 PolarHBondContact O-N 3.37Å; L406-G408 PolarHBondContact O-N 3.35Å; L406-D521 HydrophobicContact CD1-CB 3.82Å; L406-D521 HydrophobicContact CD2-CB 4.01Å; L406-F524 HydrophobicContact CD2-CD1 3.77Å; L406-F524 HydrophobicContact CD2-CE1 4.34Å; L406-L525 HydrophobicContact CD1-CD1 3.96Å; L406-L525 HydrophobicContact CD1-CG 4.36Å; L406-L525 HydrophobicContact CD2-CD2 4.37Å; L406-L525 HydrophobicContact CD2-CG 4.23Å; L406-L525 HydrophobicContact CG-CD1 4.32Å; L406-L525 HydrophobicContact CG-CD2 4.14Å; L406-L525 HydrophobicContact CG-CG 4.23Å
407	N	79.7	Confident	82.1	Confident	85 Å²	85	40.1 Å²	40.1	46%	0.455	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.9	174.7	-72.8	-24.8	0	0	0	113.6	Q403 I405 K409	Q403-N407 WeakPolarHBondContact O-CB 3.38Å; Q403-N407 PolarHBondContact O-N 2.93Å; Q403-N407 PolarHBondContact O-ND2 3.25Å; Q403-N407 VanDerWaalsContact O-ND2 3.17Å; I405-N407 VanDerWaalsContact C-N 3.29Å; I405-N407 PolarHBondContact O-N 3.02Å; N407-K409 HydrophobicContact CB-CG 4.45Å; N407-K409 PolarHBondContact O-N 3.48Å; N407-K409 VanDerWaalsContact O-N 3.13Å
408	G	71.1	Confident	81	Confident	45 Å²	45	46 Å²	46	46%	0.464	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	11.9	174.8	0	0	0	0	0	115.6	H404 I405 L406 L410	H404-G408 PolarHBondContact O-N 2.96Å; I405-G408 PolarHBondContact O-N 3.24Å; L406-G408 PolarHBondContact O-N 3.35Å; G408-L410 VanDerWaalsContact C-N 3.34Å
409	K	73.2	Confident	80.1	Confident	140 Å²	140	47.7 Å²	47.7	61%	0.609	25%	0.249	S	C	*	.			trans	-83	-10.4	-177.1	-66.3	-173.7	179.8	177.5	0	114	N407 I446	N407-K409 HydrophobicContact CB-CG 4.45Å; N407-K409 PolarHBondContact O-N 3.48Å; N407-K409 VanDerWaalsContact O-N 3.13Å; K409-I446 HydrophobicContact CB-CG2 4.49Å
410	L	82.2	Confident	79.4	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.047	29%	0.289	C	S	.	.	S	Bend	trans	-91.8	149.2	-177.6	-56.1	-176.8	0	0	0	110.9	H404 I405 G408 Y412 I446 F537 I576	H404-L410 HydrophobicContact CB-CD1 3.73Å; H404-L410 HydrophobicContact CB-CD2 4.07Å; H404-L410 HydrophobicContact CB-CG 3.95Å; I405-L410 HydrophobicContact CG1-CD1 3.66Å; G408-L410 VanDerWaalsContact C-N 3.34Å; L410-Y412 WeakPolarHBondContact O-CD1 3.27Å; L410-I446 HydrophobicContact CD2-CD1 3.55Å; L410-I446 HydrophobicContact CD2-CG1 3.74Å; L410-F537 HydrophobicContact CD2-CE2 4.44Å; L410-F537 HydrophobicContact CD2-CZ 4.01Å; L410-I576 HydrophobicContact CB-CG2 4.5Å; L410-I576 HydrophobicContact CD1-CD1 3.57Å; L410-I576 HydrophobicContact CD1-CG1 4.29Å; L410-I576 HydrophobicContact CD2-CD1 4.34Å; L410-I576 HydrophobicContact CD2-CG2 3.75Å; L410-I576 HydrophobicContact CG-CD1 4.46Å
411	A	84.6	Confident	79.1	Confident	23 Å²	23	55.7 Å²	55.7	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.7	168.6	0	0	0	0	0	109.6	D443 Y444 M577 A578	A411-D443 WeakPolarHBondContact CB-O 3.48Å; A411-Y444 HydrophobicContact CB-CD1 4.16Å; A411-M577 HydrophobicContact CB-SD 3.46Å; A411-M577 WeakPolarHBondContact CB-SD 3.18Å; A411-M577 WeakPolarHBondContact O-CA 3.24Å; A411-A578 PolarHBondContact O-N 3.22Å
412	Y	84.7	Confident	78.7	Confident	84 Å²	84	57.5 Å²	57.5	33%	0.329	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.4	-178.3	58.1	-100	0	0	0	112.3	L410 R414 M577 A578 I580	L410-Y412 WeakPolarHBondContact O-CD1 3.27Å; Y412-R414 HydrophobicContact CD2-CG 3.85Å; Y412-R414 HydrophobicContact CE2-CG 4.06Å; Y412-R414 VanDerWaalsContact CE2-NH2 3.32Å; Y412-R414 VanDerWaalsContact OH-CZ 3.32Å; Y412-R414 PolarHBondContact OH-NH1 3.31Å; Y412-R414 PolarHBondContact OH-NH2 3.01Å; Y412-R414 VanDerWaalsContact OH-NH2 3.09Å; Y412-M577 PolarHBondContact N-SD 3.47Å; Y412-M577 WeakPolarHBondContact O-CE 3.11Å; Y412-A578 CarbonylContact C-O 3.51Å; Y412-A578 WeakPolarHBondContact CA-O 3.48Å; Y412-I580 HydrophobicContact CG-CD1 4.15Å
413	Y	82.4	Confident	78.5	Confident	60 Å²	60	59.5 Å²	59.5	24%	0.235	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.1	170.5	-176.6	-100.9	0	0	0	108.8	F415 Q429 A578 Y579 I580	Y413-F415 HydrophobicContact CD1-CB 4.41Å; Y413-F415 HydrophobicContact CD1-CD1 4.44Å; Y413-F415 HydrophobicContact CE1-CB 3.9Å; Y413-Q429 HydrophobicContact CD1-CB 3.91Å; Y413-Q429 HydrophobicContact CD1-CG 4.23Å; Y413-Q429 HydrophobicContact CE1-CB 3.62Å; Y413-Q429 HydrophobicContact CE1-CG 3.44Å; Y413-Q429 VanDerWaalsContact CE1-CG 3.44Å; Y413-Q429 HydrophobicContact CE2-CB 4.35Å; Y413-Q429 HydrophobicContact CE2-CG 3.99Å; Y413-Q429 HydrophobicContact CG-CB 4.38Å; Y413-Q429 VanDerWaalsContact CZ-CD 3.42Å; Y413-Q429 VanDerWaalsContact OH-CD 3.29Å; Y413-Q429 WeakPolarHBondContact OH-CG 3.46Å; Y413-Q429 PolarHBondContact OH-NE2 3.05Å; Y413-A578 PolarHBondContact N-O 3.22Å; Y413-Y579 AromaticContact CD1-CD1 3.81Å; Y413-Y579 HydrophobicContact CD1-CD1 3.81Å; Y413-Y579 HydrophobicContact CD1-CE1 4Å; Y413-Y579 HydrophobicContact CG-CD1 4.21Å; Y413-Y579 HydrophobicContact CG-CE1 4.14Å; Y413-Y579 WeakPolarHBondContact O-CA 3.48Å; Y413-I580 PolarHBondContact O-N 3.19Å
414	R	72.1	Confident	78.3	Confident	52 Å²	52	63.5 Å²	63.5	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128	177	-67.3	176.7	172.6	131.5	6.3	110.7	Y412 I580 R624 T626	Y412-R414 HydrophobicContact CD2-CG 3.85Å; Y412-R414 HydrophobicContact CE2-CG 4.06Å; Y412-R414 VanDerWaalsContact CE2-NH2 3.32Å; Y412-R414 VanDerWaalsContact OH-CZ 3.32Å; Y412-R414 PolarHBondContact OH-NH1 3.31Å; Y412-R414 PolarHBondContact OH-NH2 3.01Å; Y412-R414 VanDerWaalsContact OH-NH2 3.09Å; R414-I580 VanDerWaalsContact CA-O 3.28Å; R414-I580 WeakPolarHBondContact CA-O 3.46Å; R414-R624 PolarHBondContact NE-O 3.5Å; R414-R624 PolarHBondContact NH1-O 3.04Å; R414-T626 PolarHBondContact NH2-OG1 3.36Å
415	F	72.7	Confident	78.2	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.026	35%	0.346	C	S	.	.			trans	-124.3	149.8	171	63.5	-83.3	0	0	0	111.2	Y413 E417 K422 Y466 A529 I580 I581 P582	Y413-F415 HydrophobicContact CD1-CB 4.41Å; Y413-F415 HydrophobicContact CD1-CD1 4.44Å; Y413-F415 HydrophobicContact CE1-CB 3.9Å; F415-E417 PolarHBondContact O-N 3.03Å; F415-K422 HydrophobicContact CD2-CB 4.42Å; F415-Y466 AromaticContact CE2-CE1 3.94Å; F415-Y466 HydrophobicContact CE2-CE1 3.94Å; F415-Y466 AromaticContact CZ-CE1 3.72Å; F415-Y466 HydrophobicContact CZ-CE1 3.72Å; F415-Y466 AromaticContact CZ-CZ 3.83Å; F415-Y466 WeakPolarHBondContact CZ-OH 3.21Å; F415-A529 HydrophobicContact CE1-CB 3.89Å; F415-A529 HydrophobicContact CZ-CB 3.75Å; F415-I580 PolarHBondContact N-O 3.33Å; F415-I581 HydrophobicContact CE1-CG1 4.35Å; F415-I581 HydrophobicContact CE2-CG1 4.01Å; F415-I581 HydrophobicContact CZ-CD1 4.39Å; F415-I581 HydrophobicContact CZ-CG1 3.75Å; F415-P582 WeakPolarHBondContact O-CD 3.41Å
416	D	70.5	Confident	78	Confident	84 Å²	84	64 Å²	64	45%	0.449	34%	0.343	S	S	.	.			trans	-79.2	115.8	-179	-173.5	-7.1	0	0	0	110.1	T418 S419	D416-T418 PolarHBondContact O-N 2.98Å; D416-T418 WeakPolarHBondContact OD1-CB 3.47Å; D416-T418 PolarHBondContact OD1-N 3.24Å; D416-T418 PolarHBondContact OD1-OG1 2.65Å; D416-T418 PolarHBondContact OD2-OG1 2.95Å; D416-S419 PolarHBondContact O-N 3.28Å
417	E	69.1	Low	78	Confident	82 Å²	82	61.6 Å²	61.6	38%	0.383	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.2	177.8	-179.5	171.2	-152.9	0	0	112.6	F415 S419 K422 I581	F415-E417 PolarHBondContact O-N 3.03Å; E417-S419 VanDerWaalsContact C-N 3.25Å; E417-S419 PolarHBondContact O-N 2.81Å; E417-K422 HydrophobicContact CG-CD 4.34Å; E417-K422 WeakPolarHBondContact O-CD 3.41Å; E417-K422 IonicContact OE1-NZ 3.91Å; E417-I581 HydrophobicContact CB-CD1 4.08Å; E417-I581 HydrophobicContact CB-CG1 4.38Å; E417-I581 HydrophobicContact CB-CG2 3.55Å; E417-I581 HydrophobicContact CG-CD1 4.14Å; E417-I581 HydrophobicContact CG-CG2 4.5Å
418	T	70.1	Confident	78.2	Confident	123 Å²	123	61.3 Å²	61.3	76%	0.755	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.6	-179.2	69	0	0	0	0	113.2	D416	D416-T418 PolarHBondContact O-N 2.98Å; D416-T418 WeakPolarHBondContact OD1-CB 3.47Å; D416-T418 PolarHBondContact OD1-N 3.24Å; D416-T418 PolarHBondContact OD1-OG1 2.65Å; D416-T418 PolarHBondContact OD2-OG1 2.95Å
419	S	72.8	Confident	78.8	Confident	37 Å²	37	61 Å²	61	26%	0.259	32%	0.319	S	S	.	.			trans	-72.2	131.4	179.1	-171.8	0	0	0	0	111.6	D416 E417 D421 K422	D416-S419 PolarHBondContact O-N 3.28Å; E417-S419 VanDerWaalsContact C-N 3.25Å; E417-S419 PolarHBondContact O-N 2.81Å; S419-D421 PolarHBondContact O-N 2.6Å; S419-D421 VanDerWaalsContact O-N 3.15Å; S419-D421 PolarHBondContact OG-N 3.31Å; S419-K422 VanDerWaalsContact O-CB 3.28Å; S419-K422 WeakPolarHBondContact O-CB 3.37Å; S419-K422 PolarHBondContact O-N 3.2Å
420	A	75.3	Confident	79.4	Confident	104 Å²	104	54.3 Å²	54.3	86%	0.86	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.2	170.8	0	0	0	0	0	112.5
421	D	82.1	Confident	79.5	Confident	92 Å²	92	57.2 Å²	57.2	49%	0.492	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	15.3	177.8	-73.6	-44.1	0	0	0	112.8	S419 Y423 K424 L425	S419-D421 PolarHBondContact O-N 2.6Å; S419-D421 VanDerWaalsContact O-N 3.15Å; S419-D421 PolarHBondContact OG-N 3.31Å; D421-Y423 VanDerWaalsContact C-N 3.31Å; D421-Y423 PolarHBondContact O-N 3.38Å; D421-K424 HydrophobicContact CB-CB 4.45Å; D421-K424 CarbonylContact O-C 3.58Å; D421-K424 WeakPolarHBondContact O-CA 3.21Å; D421-K424 WeakPolarHBondContact O-CB 3.45Å; D421-K424 PolarHBondContact O-N 3.18Å; D421-L425 HydrophobicContact CB-CG 4.39Å; D421-L425 WeakPolarHBondContact O-CG 3.45Å; D421-L425 PolarHBondContact O-N 2.87Å
422	K	82	Confident	79.7	Confident	38 Å²	38	61.1 Å²	61.1	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-52.3	-44.8	-173.9	69.7	-172.8	-168.3	171.9	0	113.6	F415 E417 S419 K424 L425 C426	F415-K422 HydrophobicContact CD2-CB 4.42Å; E417-K422 HydrophobicContact CG-CD 4.34Å; E417-K422 WeakPolarHBondContact O-CD 3.41Å; E417-K422 IonicContact OE1-NZ 3.91Å; S419-K422 VanDerWaalsContact O-CB 3.28Å; S419-K422 WeakPolarHBondContact O-CB 3.37Å; S419-K422 PolarHBondContact O-N 3.2Å; K422-K424 PolarHBondContact O-N 3.37Å; K422-L425 PolarHBondContact O-N 3.13Å; K422-C426 VanDerWaalsContact O-CB 3.31Å; K422-C426 WeakPolarHBondContact O-CB 3.13Å; K422-C426 PolarHBondContact O-N 3.4Å
423	Y	83.4	Confident	79.8	Confident	43 Å²	43	57.3 Å²	57.3	17%	0.169	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-40.1	179.4	-58.4	-61.4	0	0	0	111.5	D421 C426 A427 Y466 N469 N473	D421-Y423 VanDerWaalsContact C-N 3.31Å; D421-Y423 PolarHBondContact O-N 3.38Å; Y423-C426 PolarHBondContact O-N 3.24Å; Y423-A427 WeakPolarHBondContact O-CB 3.31Å; Y423-A427 PolarHBondContact O-N 2.92Å; Y423-Y466 AromaticContact CD1-CD1 3.93Å; Y423-Y466 HydrophobicContact CD1-CD1 3.93Å; Y423-Y466 HydrophobicContact CD1-CE1 4.12Å; Y423-Y466 HydrophobicContact CE1-CD1 4.01Å; Y423-Y466 HydrophobicContact CE1-CE1 4.02Å; Y423-N469 HydrophobicContact CD1-CB 3.54Å; Y423-N469 HydrophobicContact CD2-CB 3.96Å; Y423-N469 HydrophobicContact CE1-CB 3.35Å; Y423-N469 HydrophobicContact CE2-CB 3.75Å; Y423-N469 HydrophobicContact CG-CB 3.85Å; Y423-N469 VanDerWaalsContact CZ-CB 3.44Å; Y423-N469 PolarHBondContact OH-ND2 3.46Å; Y423-N473 WeakPolarHBondContact CD2-ND2 3.47Å
424	K	82.5	Confident	80	Confident	119 Å²	119	54.7 Å²	54.7	52%	0.517	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-36.7	176.9	-174.3	179.3	178.8	-178.8	0	112.4	D421 K422 A427 T428 V474	D421-K424 HydrophobicContact CB-CB 4.45Å; D421-K424 CarbonylContact O-C 3.58Å; D421-K424 WeakPolarHBondContact O-CA 3.21Å; D421-K424 WeakPolarHBondContact O-CB 3.45Å; D421-K424 PolarHBondContact O-N 3.18Å; K422-K424 PolarHBondContact O-N 3.37Å; K424-A427 WeakPolarHBondContact O-CB 3.29Å; K424-T428 VanDerWaalsContact O-CB 3.28Å; K424-T428 WeakPolarHBondContact O-CB 3.05Å; K424-T428 PolarHBondContact O-N 3.09Å; K424-T428 PolarHBondContact O-OG1 3.28Å; K424-V474 HydrophobicContact CB-CG2 4.2Å
425	L	82.8	Confident	80.8	Confident	68 Å²	68	55.5 Å²	55.5	36%	0.356	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-48.1	174.1	-71.9	172.7	0	0	0	110.6	D421 K422 T428 Q429	D421-L425 HydrophobicContact CB-CG 4.39Å; D421-L425 WeakPolarHBondContact O-CG 3.45Å; D421-L425 PolarHBondContact O-N 2.87Å; K422-L425 PolarHBondContact O-N 3.13Å; L425-T428 PolarHBondContact O-N 2.89Å; L425-Q429 WeakPolarHBondContact O-CB 3.08Å; L425-Q429 WeakPolarHBondContact O-CG 3.11Å; L425-Q429 PolarHBondContact O-N 3.31Å
426	C	82	Confident	81.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-53.9	176.3	-172	0	0	0	0	110.8	K422 Y423 T428 Q429 M430	K422-C426 VanDerWaalsContact O-CB 3.31Å; K422-C426 WeakPolarHBondContact O-CB 3.13Å; K422-C426 PolarHBondContact O-N 3.4Å; Y423-C426 PolarHBondContact O-N 3.24Å; C426-T428 PolarHBondContact O-N 3.07Å; C426-Q429 PolarHBondContact O-N 3.15Å; C426-Q429 VanDerWaalsContact O-N 3.1Å; C426-M430 WeakPolarHBondContact O-CB 3.37Å; C426-M430 WeakPolarHBondContact O-CG 3.23Å; C426-M430 PolarHBondContact O-N 3.41Å
427	A	82	Confident	82.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-42.5	-58.4	168.5	0	0	0	0	0	114.3	Y423 K424 Q429 M430 R431 V474 Y486	Y423-A427 WeakPolarHBondContact O-CB 3.31Å; Y423-A427 PolarHBondContact O-N 2.92Å; K424-A427 WeakPolarHBondContact O-CB 3.29Å; A427-Q429 PolarHBondContact O-N 2.88Å; A427-M430 PolarHBondContact O-N 3.1Å; A427-R431 PolarHBondContact O-N 2.86Å; A427-R431 VanDerWaalsContact O-N 3.07Å; A427-V474 HydrophobicContact CB-CG1 4.46Å; A427-V474 HydrophobicContact CB-CG2 4.22Å; A427-Y486 WeakPolarHBondContact CA-OH 3.48Å; A427-Y486 WeakPolarHBondContact CB-OH 3.31Å; A427-Y486 WeakPolarHBondContact O-CE1 3.37Å
428	T	83.9	Confident	83.5	Confident	79 Å²	79	53.6 Å²	53.6	49%	0.485	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-35.5	-177.2	-58.5	0	0	0	0	111.3	K424 L425 C426 K432	K424-T428 VanDerWaalsContact O-CB 3.28Å; K424-T428 WeakPolarHBondContact O-CB 3.05Å; K424-T428 PolarHBondContact O-N 3.09Å; K424-T428 PolarHBondContact O-OG1 3.28Å; L425-T428 PolarHBondContact O-N 2.89Å; C426-T428 PolarHBondContact O-N 3.07Å; T428-K432 WeakPolarHBondContact O-CB 3.42Å; T428-K432 PolarHBondContact O-N 2.96Å
429	Q	85.2	Confident	84.5	Confident	37 Å²	37	54.1 Å²	54.1	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-81.3	-34.3	-177.1	-64	-73.7	-10.3	0	0	112.1	Y413 L425 C426 A427 R431 K432 V433 Y579	Y413-Q429 HydrophobicContact CD1-CB 3.91Å; Y413-Q429 HydrophobicContact CD1-CG 4.23Å; Y413-Q429 HydrophobicContact CE1-CB 3.62Å; Y413-Q429 HydrophobicContact CE1-CG 3.44Å; Y413-Q429 VanDerWaalsContact CE1-CG 3.44Å; Y413-Q429 HydrophobicContact CE2-CB 4.35Å; Y413-Q429 HydrophobicContact CE2-CG 3.99Å; Y413-Q429 HydrophobicContact CG-CB 4.38Å; Y413-Q429 VanDerWaalsContact CZ-CD 3.42Å; Y413-Q429 VanDerWaalsContact OH-CD 3.29Å; Y413-Q429 WeakPolarHBondContact OH-CG 3.46Å; Y413-Q429 PolarHBondContact OH-NE2 3.05Å; L425-Q429 WeakPolarHBondContact O-CB 3.08Å; L425-Q429 WeakPolarHBondContact O-CG 3.11Å; L425-Q429 PolarHBondContact O-N 3.31Å; C426-Q429 PolarHBondContact O-N 3.15Å; C426-Q429 VanDerWaalsContact O-N 3.1Å; A427-Q429 PolarHBondContact O-N 2.88Å; Q429-R431 VanDerWaalsContact C-N 3.28Å; Q429-R431 PolarHBondContact O-N 2.92Å; Q429-K432 PolarHBondContact O-N 3.3Å; Q429-V433 WeakPolarHBondContact O-CB 3.36Å; Q429-V433 WeakPolarHBondContact O-CG2 3.44Å; Q429-V433 PolarHBondContact O-N 3.19Å; Q429-Y579 HydrophobicContact CB-CE1 4.09Å; Q429-Y579 PolarHBondContact O-OH 3.42Å
430	M	85.7	Confident	85.4	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-55.9	-46.1	166.6	-77.2	-179.2	170.7	0	0	110.9	C426 A427 S434 I532 Y579	C426-M430 WeakPolarHBondContact O-CB 3.37Å; C426-M430 WeakPolarHBondContact O-CG 3.23Å; C426-M430 PolarHBondContact O-N 3.41Å; A427-M430 PolarHBondContact O-N 3.1Å; M430-S434 VanDerWaalsContact O-CB 3.31Å; M430-S434 WeakPolarHBondContact O-CB 3.19Å; M430-S434 PolarHBondContact O-N 2.91Å; M430-I532 HydrophobicContact CB-CD1 4.01Å; M430-I532 HydrophobicContact CG-CD1 4.21Å; M430-I532 VanDerWaalsContact O-CD1 3.24Å; M430-I532 WeakPolarHBondContact O-CD1 3.29Å; M430-Y579 VanDerWaalsContact CA-OH 3.27Å; M430-Y579 WeakPolarHBondContact CA-OH 3.25Å; M430-Y579 HydrophobicContact CB-CE1 4.44Å; M430-Y579 HydrophobicContact CE-CD1 4.39Å; M430-Y579 HydrophobicContact CE-CD2 3.77Å; M430-Y579 HydrophobicContact CE-CE2 4.31Å; M430-Y579 HydrophobicContact CE-CG 3.85Å; M430-Y579 HydrophobicContact CG-CD1 4.03Å; M430-Y579 HydrophobicContact CG-CD2 4.11Å; M430-Y579 HydrophobicContact CG-CE1 3.66Å; M430-Y579 HydrophobicContact CG-CE2 3.77Å; M430-Y579 HydrophobicContact CG-CG 4.26Å
431	R	83.9	Confident	86.1	Confident	69 Å²	69	54.9 Å²	54.9	26%	0.26	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-45.3	174.2	-166.3	171.8	-173.3	149.8	-1.9	113.5	A427 Q429 S434 N435 Y483 Y486	A427-R431 PolarHBondContact O-N 2.86Å; A427-R431 VanDerWaalsContact O-N 3.07Å; Q429-R431 VanDerWaalsContact C-N 3.28Å; Q429-R431 PolarHBondContact O-N 2.92Å; R431-S434 WeakPolarHBondContact O-CB 3.28Å; R431-S434 PolarHBondContact O-N 3.12Å; R431-N435 PolarHBondContact O-N 2.9Å; R431-Y483 PolarHBondContact NH1-O 3.08Å; R431-Y486 HydrophobicContact CB-CD1 3.63Å; R431-Y486 HydrophobicContact CB-CE1 3.74Å; R431-Y486 HydrophobicContact CG-CD1 4.13Å
432	K	87.6	Confident	86.5	Confident	106 Å²	106	53.3 Å²	53.3	46%	0.461	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-52.6	-178.4	-174.7	-158.8	164.7	-153.8	0	109.9	T428 Q429 S434 N435 D436	T428-K432 WeakPolarHBondContact O-CB 3.42Å; T428-K432 PolarHBondContact O-N 2.96Å; Q429-K432 PolarHBondContact O-N 3.3Å; K432-S434 VanDerWaalsContact C-N 3.33Å; K432-S434 PolarHBondContact O-N 3.33Å; K432-N435 WeakPolarHBondContact O-CB 3.28Å; K432-N435 PolarHBondContact O-N 2.92Å; K432-N435 VanDerWaalsContact O-N 3.09Å; K432-D436 WeakPolarHBondContact CE-OD2 3.45Å; K432-D436 IonicContact NZ-OD2 2.8Å; K432-D436 PolarHBondContact O-N 3.35Å
433	V	87.6	Confident	86.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-38.9	179.7	173	0	0	0	0	111.6	Q429 N435 D436 F437 Y444 M577 Y579	Q429-V433 WeakPolarHBondContact O-CB 3.36Å; Q429-V433 WeakPolarHBondContact O-CG2 3.44Å; Q429-V433 PolarHBondContact O-N 3.19Å; V433-N435 VanDerWaalsContact C-N 3.27Å; V433-N435 PolarHBondContact O-N 3.08Å; V433-D436 PolarHBondContact O-N 3.05Å; V433-D436 VanDerWaalsContact O-N 3.1Å; V433-F437 HydrophobicContact CG1-CD1 3.84Å; V433-F437 HydrophobicContact CG1-CE1 3.33Å; V433-F437 HydrophobicContact CG1-CZ 3.73Å; V433-F437 VanDerWaalsContact O-CD1 3.3Å; V433-F437 WeakPolarHBondContact O-CD1 3.32Å; V433-F437 WeakPolarHBondContact O-CG 3.44Å; V433-F437 PolarHBondContact O-N 3.21Å; V433-Y444 HydrophobicContact CG1-CE1 4.41Å; V433-M577 HydrophobicContact CG1-CB 3.7Å; V433-M577 HydrophobicContact CG1-CG 3.91Å; V433-M577 HydrophobicContact CG2-CG 4.27Å; V433-Y579 WeakPolarHBondContact CB-OH 3.49Å; V433-Y579 VanDerWaalsContact CG2-OH 3.25Å; V433-Y579 WeakPolarHBondContact CG2-OH 3.35Å
434	S	87.3	Confident	87.1	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-42.9	172.5	170.7	0	0	0	0	112.4	M430 R431 K432 K458 N488	M430-S434 VanDerWaalsContact O-CB 3.31Å; M430-S434 WeakPolarHBondContact O-CB 3.19Å; M430-S434 PolarHBondContact O-N 2.91Å; R431-S434 WeakPolarHBondContact O-CB 3.28Å; R431-S434 PolarHBondContact O-N 3.12Å; K432-S434 VanDerWaalsContact C-N 3.33Å; K432-S434 PolarHBondContact O-N 3.33Å; S434-K458 PolarHBondContact O-NZ 3.46Å; S434-N488 WeakPolarHBondContact CB-ND2 3.29Å; S434-N488 PolarHBondContact OG-ND2 3.25Å; S434-N488 PolarHBondContact OG-OD1 3.33Å
435	N	87.6	Confident	87.4	Confident	69 Å²	69	51.2 Å²	51.2	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-70.5	-40.1	174.8	-67.5	-21.4	0	0	0	111.5	R431 K432 V433 F437 Q438 F439	R431-N435 PolarHBondContact O-N 2.9Å; K432-N435 WeakPolarHBondContact O-CB 3.28Å; K432-N435 PolarHBondContact O-N 2.92Å; K432-N435 VanDerWaalsContact O-N 3.09Å; V433-N435 VanDerWaalsContact C-N 3.27Å; V433-N435 PolarHBondContact O-N 3.08Å; N435-F437 PolarHBondContact O-N 2.76Å; N435-Q438 WeakPolarHBondContact O-CB 3.41Å; N435-Q438 PolarHBondContact O-N 3.41Å; N435-F439 WeakPolarHBondContact O-CD2 3.39Å; N435-F439 WeakPolarHBondContact O-CE2 3.4Å
436	D	90.1	Very high	87.7	Confident	43 Å²	43	50.6 Å²	50.6	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-35	179	-64.9	-19.9	0	0	0	111	K432 V433 Q438 F439 Y444	K432-D436 WeakPolarHBondContact CE-OD2 3.45Å; K432-D436 IonicContact NZ-OD2 2.8Å; K432-D436 PolarHBondContact O-N 3.35Å; V433-D436 PolarHBondContact O-N 3.05Å; V433-D436 VanDerWaalsContact O-N 3.1Å; D436-Q438 PolarHBondContact O-N 3.33Å; D436-Q438 VanDerWaalsContact O-N 3.17Å; D436-F439 PolarHBondContact O-N 3.29Å; D436-Y444 HydrophobicContact CB-CE2 4.14Å
437	F	90.2	Very high	87.9	Confident	2 Å²	2	52 Å²	52	1%	0.009	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	175	-75.7	10.2	0	0	0	113.7	V433 N435 F439 Y444 F452 T453 K458 I532 V575 M577	V433-F437 HydrophobicContact CG1-CD1 3.84Å; V433-F437 HydrophobicContact CG1-CE1 3.33Å; V433-F437 HydrophobicContact CG1-CZ 3.73Å; V433-F437 VanDerWaalsContact O-CD1 3.3Å; V433-F437 WeakPolarHBondContact O-CD1 3.32Å; V433-F437 WeakPolarHBondContact O-CG 3.44Å; V433-F437 PolarHBondContact O-N 3.21Å; N435-F437 PolarHBondContact O-N 2.76Å; F437-F439 PolarHBondContact O-N 3.18Å; F437-Y444 HydrophobicContact CD1-CD1 4.47Å; F437-Y444 AromaticContact CD1-CD2 3.75Å; F437-Y444 HydrophobicContact CD1-CD2 3.75Å; F437-Y444 HydrophobicContact CD1-CE2 4.07Å; F437-Y444 AromaticContact CD1-CG 3.97Å; F437-Y444 HydrophobicContact CD1-CG 3.97Å; F437-Y444 AromaticContact CE1-CD1 3.66Å; F437-Y444 HydrophobicContact CE1-CD1 3.66Å; F437-Y444 AromaticContact CE1-CD2 3.71Å; F437-Y444 HydrophobicContact CE1-CD2 3.71Å; F437-Y444 HydrophobicContact CE1-CE1 4.14Å; F437-Y444 HydrophobicContact CE1-CE2 4.19Å; F437-Y444 AromaticContact CE1-CG 3.42Å; F437-Y444 HydrophobicContact CE1-CG 3.42Å; F437-Y444 VanDerWaalsContact CE1-CG 3.42Å; F437-Y444 HydrophobicContact CZ-CG 4.39Å; F437-F452 CarbonylContact O-C 3.58Å; F437-F452 WeakPolarHBondContact O-CA 3.29Å; F437-T453 PolarHBondContact O-N 2.63Å; F437-K458 HydrophobicContact CB-CD 4.27Å; F437-K458 HydrophobicContact CD2-CG 4.48Å; F437-I532 HydrophobicContact CD2-CG2 4.13Å; F437-I532 HydrophobicContact CE2-CB 4.29Å; F437-I532 HydrophobicContact CE2-CG2 3.65Å; F437-I532 HydrophobicContact CZ-CG2 4.43Å; F437-V575 HydrophobicContact CD1-CG2 4.43Å; F437-V575 HydrophobicContact CD2-CB 4.28Å; F437-V575 HydrophobicContact CD2-CG2 3.46Å; F437-V575 VanDerWaalsContact CD2-CG2 3.46Å; F437-V575 HydrophobicContact CE1-CB 4.35Å; F437-V575 HydrophobicContact CE2-CB 4.06Å; F437-V575 HydrophobicContact CE2-CG2 3.55Å; F437-V575 HydrophobicContact CG-CG2 3.93Å; F437-V575 HydrophobicContact CZ-CB 4.1Å; F437-V575 HydrophobicContact CZ-CG2 4.1Å; F437-M577 HydrophobicContact CE1-CB 4.37Å; F437-M577 HydrophobicContact CZ-CB 3.94Å
438	Q	89.4	Confident	88.1	Confident	87 Å²	87	54 Å²	54	41%	0.407	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.2	174.8	-60.9	-176.7	-5.5	0	0	112.9	N435 D436 S455	N435-Q438 WeakPolarHBondContact O-CB 3.41Å; N435-Q438 PolarHBondContact O-N 3.41Å; D436-Q438 PolarHBondContact O-N 3.33Å; D436-Q438 VanDerWaalsContact O-N 3.17Å; Q438-S455 PolarHBondContact NE2-OG 3.47Å
439	F	91.4	Very high	88.4	Confident	134 Å²	134	50.3 Å²	50.3	59%	0.588	26%	0.262	S	S	*	.	S	Bend	trans	-107.1	146.5	-176.1	-57.5	-77.7	0	0	0	110.5	N435 D436 F437 S441	N435-F439 WeakPolarHBondContact O-CD2 3.39Å; N435-F439 WeakPolarHBondContact O-CE2 3.4Å; D436-F439 PolarHBondContact O-N 3.29Å; F437-F439 PolarHBondContact O-N 3.18Å; F439-S441 PolarHBondContact O-N 2.97Å; F439-S441 VanDerWaalsContact O-N 3.16Å
440	M	91	Very high	88.7	Confident	131 Å²	131	50.4 Å²	50.4	65%	0.645	27%	0.266	S	S	*	.			trans	-60.7	118.4	178.1	-76	-178.8	-89.9	0	0	110.9	T451 F452	M440-T451 WeakPolarHBondContact CA-O 3.5Å; M440-F452 HydrophobicContact CG-CB 4.41Å; M440-F452 HydrophobicContact CG-CD1 3.83Å
441	S	90.7	Very high	89	Confident	25 Å²	25	51.4 Å²	51.4	18%	0.175	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-142.1	154.2	177.5	-176.8	0	0	0	0	111.3	F439 D443 T451	F439-S441 PolarHBondContact O-N 2.97Å; F439-S441 VanDerWaalsContact O-N 3.16Å; S441-D443 WeakPolarHBondContact OG-CB 3.45Å; S441-D443 PolarHBondContact OG-N 3.25Å; S441-D443 VanDerWaalsContact OG-N 3.09Å; S441-T451 PolarHBondContact N-O 3.41Å; S441-T451 PolarHBondContact O-N 2.92Å
442	T	91	Very high	89.4	Confident	59 Å²	59	52.9 Å²	52.9	36%	0.362	28%	0.28	S	S	.	.	S	Bend	trans	-94.7	-11.1	170	48.1	0	0	0	0	113	Y444 V449 T450	T442-Y444 VanDerWaalsContact C-N 3.35Å; T442-Y444 PolarHBondContact O-N 3.38Å; T442-V449 WeakPolarHBondContact CA-O 3.42Å; T442-T450 HydrophobicContact CG2-CG2 3.47Å; T442-T450 VanDerWaalsContact CG2-CG2 3.47Å
443	D	87.3	Confident	89.6	Confident	109 Å²	109	48 Å²	48	58%	0.583	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.3	-159.9	-60.6	-13.7	0	0	0	113.6	A411 S441	A411-D443 WeakPolarHBondContact CB-O 3.48Å; S441-D443 WeakPolarHBondContact OG-CB 3.45Å; S441-D443 PolarHBondContact OG-N 3.25Å; S441-D443 VanDerWaalsContact OG-N 3.09Å
444	Y	89.3	Confident	89.7	Confident	32 Å²	32	52 Å²	52	13%	0.125	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	6.9	-168.1	-55.9	-63.7	0	0	0	114.8	A411 V433 D436 F437 T442 V575 I576 M577	A411-Y444 HydrophobicContact CB-CD1 4.16Å; V433-Y444 HydrophobicContact CG1-CE1 4.41Å; D436-Y444 HydrophobicContact CB-CE2 4.14Å; F437-Y444 HydrophobicContact CD1-CD1 4.47Å; F437-Y444 AromaticContact CD1-CD2 3.75Å; F437-Y444 HydrophobicContact CD1-CD2 3.75Å; F437-Y444 HydrophobicContact CD1-CE2 4.07Å; F437-Y444 AromaticContact CD1-CG 3.97Å; F437-Y444 HydrophobicContact CD1-CG 3.97Å; F437-Y444 AromaticContact CE1-CD1 3.66Å; F437-Y444 HydrophobicContact CE1-CD1 3.66Å; F437-Y444 AromaticContact CE1-CD2 3.71Å; F437-Y444 HydrophobicContact CE1-CD2 3.71Å; F437-Y444 HydrophobicContact CE1-CE1 4.14Å; F437-Y444 HydrophobicContact CE1-CE2 4.19Å; F437-Y444 AromaticContact CE1-CG 3.42Å; F437-Y444 HydrophobicContact CE1-CG 3.42Å; F437-Y444 VanDerWaalsContact CE1-CG 3.42Å; F437-Y444 HydrophobicContact CZ-CG 4.39Å; T442-Y444 VanDerWaalsContact C-N 3.35Å; T442-Y444 PolarHBondContact O-N 3.38Å; Y444-V575 CarbonylContact O-C 3.57Å; Y444-V575 VanDerWaalsContact O-CA 3.25Å; Y444-V575 WeakPolarHBondContact O-CA 3.22Å; Y444-I576 PolarHBondContact O-N 3.36Å; Y444-M577 HydrophobicContact CD1-SD 3.93Å; Y444-M577 HydrophobicContact CE1-CE 4.25Å; Y444-M577 HydrophobicContact CE1-SD 4.01Å
445	N	89.9	Confident	89.5	Confident	16 Å²	16	53.8 Å²	53.8	9%	0.086	29%	0.293	C	S	.	.	S	Bend	trans	-126.5	157.7	177	62.6	54.9	0	0	0	111.4	A447 G448 V449 T451 I573 G574	N445-A447 VanDerWaalsContact C-N 3.33Å; N445-A447 PolarHBondContact OD1-N 3.49Å; N445-G448 VanDerWaalsContact OD1-CA 3.29Å; N445-G448 WeakPolarHBondContact OD1-CA 3.43Å; N445-G448 PolarHBondContact OD1-N 3.04Å; N445-V449 WeakPolarHBondContact ND2-CG2 3.47Å; N445-V449 PolarHBondContact ND2-O 2.88Å; N445-V449 PolarHBondContact OD1-N 3.45Å; N445-T451 VanDerWaalsContact ND2-CG2 3.26Å; N445-T451 WeakPolarHBondContact ND2-CG2 3.27Å; N445-I573 WeakPolarHBondContact CB-O 3.29Å; N445-G574 WeakPolarHBondContact CB-O 3.31Å
446	I	87.5	Confident	89.5	Confident	54 Å²	54	56.3 Å²	56.3	28%	0.277	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-30.9	-176.1	-55.1	172.8	0	0	0	110.6	K409 L410 G448 F537 P572	K409-I446 HydrophobicContact CB-CG2 4.49Å; L410-I446 HydrophobicContact CD2-CD1 3.55Å; L410-I446 HydrophobicContact CD2-CG1 3.74Å; I446-G448 PolarHBondContact O-N 3.08Å; I446-F537 HydrophobicContact CD1-CE2 4.32Å; I446-P572 HydrophobicContact CB-CB 4.03Å; I446-P572 HydrophobicContact CG2-CB 4.4Å; I446-P572 PolarHBondContact N-O 3.22Å; I446-P572 VanDerWaalsContact N-O 3.07Å
447	A	87.4	Confident	89.4	Confident	30 Å²	30	58 Å²	58	25%	0.248	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.4	-175.6	0	0	0	0	0	114.9	N445 V449 P572	N445-A447 VanDerWaalsContact C-N 3.33Å; N445-A447 PolarHBondContact OD1-N 3.49Å; A447-V449 VanDerWaalsContact C-N 3.29Å; A447-V449 HydrophobicContact CB-CG1 3.98Å; A447-V449 HydrophobicContact CB-CG2 4.3Å; A447-V449 PolarHBondContact O-N 3.47Å; A447-P572 HydrophobicContact CB-CB 4.27Å; A447-P572 WeakPolarHBondContact CB-O 3.37Å; A447-P572 PolarHBondContact N-O 3.46Å
448	G	86.1	Confident	89.4	Confident	43 Å²	43	58 Å²	58	44%	0.443	31%	0.311	S	S	.	.			trans	64.8	27.6	-174.7	0	0	0	0	0	114.2	N445 I446	N445-G448 VanDerWaalsContact OD1-CA 3.29Å; N445-G448 WeakPolarHBondContact OD1-CA 3.43Å; N445-G448 PolarHBondContact OD1-N 3.04Å; I446-G448 PolarHBondContact O-N 3.08Å
449	V	90.1	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.292	C	S	.	.			trans	-90.7	150.1	-178.8	-63.9	0	0	0	0	111.3	F311 R343 T442 N445 A447 T451 I573	F311-V449 HydrophobicContact CD1-CB 3.86Å; F311-V449 HydrophobicContact CD1-CG1 4.02Å; F311-V449 HydrophobicContact CD1-CG2 3.86Å; F311-V449 HydrophobicContact CE1-CB 3.63Å; F311-V449 HydrophobicContact CE1-CG1 4.28Å; F311-V449 HydrophobicContact CE1-CG2 3.7Å; F311-V449 HydrophobicContact CZ-CG2 4.21Å; R343-V449 HydrophobicContact CB-CG1 4.4Å; R343-V449 HydrophobicContact CG-CG1 3.7Å; T442-V449 WeakPolarHBondContact CA-O 3.42Å; N445-V449 WeakPolarHBondContact ND2-CG2 3.47Å; N445-V449 PolarHBondContact ND2-O 2.88Å; N445-V449 PolarHBondContact OD1-N 3.45Å; A447-V449 VanDerWaalsContact C-N 3.29Å; A447-V449 HydrophobicContact CB-CG1 3.98Å; A447-V449 HydrophobicContact CB-CG2 4.3Å; A447-V449 PolarHBondContact O-N 3.47Å; V449-T451 PolarHBondContact O-N 3.39Å; V449-I573 HydrophobicContact CG2-CG2 4.19Å
450	T	92.2	Very high	89.4	Confident	40 Å²	40	47.8 Å²	47.8	25%	0.245	27%	0.266	C	S	.	.			trans	-77.8	108	175.6	50.1	0	0	0	0	109.8	N313 I314 T442	N313-T450 PolarHBondContact OD1-N 2.84Å; N313-T450 VanDerWaalsContact OD1-N 3.12Å; N313-T450 PolarHBondContact OD1-OG1 3.46Å; I314-T450 HydrophobicContact CG2-CG2 4.28Å; I314-T450 VanDerWaalsContact CG2-OG1 3.23Å; I314-T450 WeakPolarHBondContact CG2-OG1 3.34Å; T442-T450 HydrophobicContact CG2-CG2 3.47Å; T442-T450 VanDerWaalsContact CG2-CG2 3.47Å
451	T	92.2	Very high	89.4	Confident	21 Å²	21	41.6 Å²	41.6	13%	0.129	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-135.7	165.1	-179.3	-163	0	0	0	0	111.8	M440 S441 N445 V449 V575	M440-T451 WeakPolarHBondContact CA-O 3.5Å; S441-T451 PolarHBondContact N-O 3.41Å; S441-T451 PolarHBondContact O-N 2.92Å; N445-T451 VanDerWaalsContact ND2-CG2 3.26Å; N445-T451 WeakPolarHBondContact ND2-CG2 3.27Å; V449-T451 PolarHBondContact O-N 3.39Å; T451-V575 HydrophobicContact CG2-CG1 3.34Å
452	F	91.9	Very high	89.3	Confident	101 Å²	101	40.8 Å²	40.8	44%	0.443	23%	0.229	S	C	.	.			trans	-143.9	160.2	172.8	73.2	-85.3	0	0	0	109.2	F437 M440	F437-F452 CarbonylContact O-C 3.58Å; F437-F452 WeakPolarHBondContact O-CA 3.29Å; M440-F452 HydrophobicContact CG-CB 4.41Å; M440-F452 HydrophobicContact CG-CD1 3.83Å
453	T	91.3	Very high	89.2	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	21%	0.213	C	C	.	.			trans	-129.4	131.9	-179.4	-58.4	0	0	0	0	110.2	F437 K457 K458 D534 V575	F437-T453 PolarHBondContact O-N 2.63Å; T453-K457 HydrophobicContact CG2-CB 3.84Å; T453-K458 HydrophobicContact CG2-CG 3.9Å; T453-K458 WeakPolarHBondContact O-CE 3.14Å; T453-K458 PolarHBondContact O-NZ 2.81Å; T453-K458 VanDerWaalsContact O-NZ 3.1Å; T453-D534 HydrophobicContact CG2-CB 4.14Å; T453-D534 VanDerWaalsContact CG2-CG 3.41Å; T453-D534 WeakPolarHBondContact CG2-OD2 3.46Å; T453-D534 PolarHBondContact OG1-OD2 3.36Å; T453-V575 WeakPolarHBondContact OG1-CG2 3.05Å
454	D	89	Confident	89.3	Confident	90 Å²	90	35.8 Å²	35.8	48%	0.481	20%	0.202	S	C	.	.			trans	-66.3	152	174.5	-68.3	-38.1	0	0	0	111.1	D456 K457 K458	D454-D456 VanDerWaalsContact C-N 3.26Å; D454-D456 WeakPolarHBondContact CB-OD1 3.15Å; D454-D456 PolarHBondContact O-N 3.21Å; D454-K457 PolarHBondContact O-N 2.99Å; D454-K458 WeakPolarHBondContact O-CE 3.5Å
455	S	84.6	Confident	89.1	Confident	41 Å²	41	39 Å²	39	29%	0.287	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-66.9	-24.6	-172.8	-95	0	0	0	0	114.9	Q438	Q438-S455 PolarHBondContact NE2-OG 3.47Å
456	D	86.4	Confident	88.8	Confident	122 Å²	122	39 Å²	39	65%	0.652	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-73.2	-27	177.4	59.2	-24	0	0	0	113.3	D454	D454-D456 VanDerWaalsContact C-N 3.26Å; D454-D456 WeakPolarHBondContact CB-OD1 3.15Å; D454-D456 PolarHBondContact O-N 3.21Å
457	K	89.3	Confident	88.8	Confident	80 Å²	80	37.8 Å²	37.8	35%	0.348	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-86.9	-5.5	177.9	-68.5	-172.2	168.5	-160.2	0	114.7	T453 D454 E535 D536	T453-K457 HydrophobicContact CG2-CB 3.84Å; D454-K457 PolarHBondContact O-N 2.99Å; K457-E535 WeakPolarHBondContact O-CB 3.37Å; K457-E535 PolarHBondContact O-N 2.58Å; K457-D536 IonicContact NZ-OD2 2.84Å; K457-D536 PolarHBondContact NZ-OD2 3.24Å
458	K	89.3	Confident	88.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.2	-178.2	-66.7	169.2	-163.7	170.3	0	110.6	S434 F437 T453 D454 N488	S434-K458 PolarHBondContact O-NZ 3.46Å; F437-K458 HydrophobicContact CB-CD 4.27Å; F437-K458 HydrophobicContact CD2-CG 4.48Å; T453-K458 HydrophobicContact CG2-CG 3.9Å; T453-K458 WeakPolarHBondContact O-CE 3.14Å; T453-K458 PolarHBondContact O-NZ 2.81Å; T453-K458 VanDerWaalsContact O-NZ 3.1Å; D454-K458 WeakPolarHBondContact O-CE 3.5Å; K458-N488 HydrophobicContact CB-CB 4.46Å
459	V	90.3	Very high	88.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.7	177	-176.8	0	0	0	0	109.2	L296 L461 R489 I491 I532 I533 E535	L296-V459 HydrophobicContact CD2-CB 4.34Å; L296-V459 HydrophobicContact CD2-CG1 4.26Å; L296-V459 HydrophobicContact CD2-CG2 3.96Å; V459-L461 HydrophobicContact CG1-CD2 3.95Å; V459-R489 WeakPolarHBondContact CA-O 3.44Å; V459-I491 HydrophobicContact CG1-CB 4.46Å; V459-I491 HydrophobicContact CG1-CD1 3.5Å; V459-I491 HydrophobicContact CG1-CG1 3.74Å; V459-I532 WeakPolarHBondContact O-CA 3.3Å; V459-I533 HydrophobicContact CB-CG1 4.01Å; V459-I533 PolarHBondContact N-O 3.16Å; V459-I533 PolarHBondContact O-N 2.99Å; V459-E535 HydrophobicContact CG2-CB 4.37Å
460	I	90	Very high	88.6	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.5	173.4	-50.4	-169.4	0	0	0	107.6	I462 N488 R489 R490 I491 I532	I460-I462 HydrophobicContact CG2-CB 4.48Å; I460-N488 HydrophobicContact CD1-CB 3.96Å; I460-N488 HydrophobicContact CG1-CB 3.97Å; I460-R489 PolarHBondContact N-O 3.3Å; I460-R490 CarbonylContact O-C 3.6Å; I460-R490 WeakPolarHBondContact O-CA 3.13Å; I460-I491 PolarHBondContact O-N 2.85Å; I460-I532 HydrophobicContact CB-CG1 4.48Å; I460-I532 HydrophobicContact CD1-CD1 4.17Å; I460-I532 HydrophobicContact CD1-CG1 4.25Å; I460-I532 HydrophobicContact CG1-CD1 4.38Å; I460-I532 HydrophobicContact CG1-CG1 3.97Å; I460-I532 HydrophobicContact CG1-CG2 4.45Å; I460-I532 HydrophobicContact CG2-CG1 4.19Å
461	L	90.9	Very high	88.2	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118	167.2	-52.5	-174.6	0	0	0	107.4	L293 I401 V459 I491 I493 G530 V531 I533	L293-L461 HydrophobicContact CD2-CD1 4.39Å; L293-L461 HydrophobicContact CD2-CD2 3.67Å; I401-L461 HydrophobicContact CD1-CD1 3.56Å; V459-L461 HydrophobicContact CG1-CD2 3.95Å; L461-I491 WeakPolarHBondContact CA-O 3.32Å; L461-I491 HydrophobicContact CD2-CB 3.85Å; L461-I491 HydrophobicContact CD2-CD1 4.26Å; L461-I491 HydrophobicContact CD2-CG1 4.47Å; L461-I491 HydrophobicContact CD2-CG2 4.41Å; L461-I493 HydrophobicContact CB-CD1 4.2Å; L461-G530 CarbonylContact O-C 3.47Å; L461-G530 WeakPolarHBondContact O-CA 3.4Å; L461-V531 PolarHBondContact N-O 3.29Å; L461-V531 PolarHBondContact O-N 3.22Å; L461-I533 HydrophobicContact CD1-CD1 3.99Å; L461-I533 HydrophobicContact CG-CD1 4.22Å
462	I	89.9	Confident	87.9	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.046	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.8	-176.6	-169.1	165.8	0	0	0	110.5	I460 D467 I470 I491 L492 I493	I460-I462 HydrophobicContact CG2-CB 4.48Å; I462-D467 HydrophobicContact CD1-CB 4.02Å; I462-D467 HydrophobicContact CG1-CB 4.16Å; I462-D467 HydrophobicContact CG2-CB 3.94Å; I462-I470 HydrophobicContact CD1-CD1 3.97Å; I462-I491 PolarHBondContact N-O 2.73Å; I462-L492 HydrophobicContact CG2-CD1 4.23Å; I462-I493 WeakPolarHBondContact O-CG1 3.05Å; I462-I493 PolarHBondContact O-N 2.86Å
463	N	89	Confident	87.6	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.032	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.6	172.6	178.7	-24.5	0	0	0	109.4	D465 Y466 D467 I493 D494 D526 A529	N463-D465 PolarHBondContact O-N 3.49Å; N463-D465 PolarHBondContact OD1-N 3.4Å; N463-Y466 HydrophobicContact CB-CD2 4.41Å; N463-Y466 PolarHBondContact O-N 3.27Å; N463-Y466 VanDerWaalsContact O-N 3.09Å; N463-D467 PolarHBondContact O-N 3.48Å; N463-I493 WeakPolarHBondContact CA-O 3.31Å; N463-D494 PolarHBondContact OD1-O 3.2Å; N463-D526 PolarHBondContact ND2-O 2.87Å; N463-A529 PolarHBondContact N-O 3.04Å
464	T	88.1	Confident	87.1	Confident	56 Å²	56	43.7 Å²	43.7	34%	0.344	25%	0.246	S	C	.	.	H	α-helix	trans	-46.8	-39.7	173.7	44.7	0	0	0	0	114.2	A468 L492 I493	T464-A468 WeakPolarHBondContact O-CB 3.47Å; T464-A468 PolarHBondContact O-N 3.09Å; T464-A468 VanDerWaalsContact O-N 3.12Å; T464-L492 HydrophobicContact CG2-CD1 3.89Å; T464-L492 HydrophobicContact CG2-CD2 4.04Å; T464-L492 HydrophobicContact CG2-CG 3.84Å; T464-I493 PolarHBondContact N-O 3.39Å; T464-I493 VanDerWaalsContact N-O 3.08Å
465	D	84.7	Confident	86.8	Confident	101 Å²	101	40.6 Å²	40.6	54%	0.54	23%	0.229	S	C	.	.	H	α-helix	trans	-68.3	-41.9	-179.1	-78.1	-5.1	0	0	0	112	N463 N469	N463-D465 PolarHBondContact O-N 3.49Å; N463-D465 PolarHBondContact OD1-N 3.4Å; D465-N469 WeakPolarHBondContact O-CB 3.38Å; D465-N469 PolarHBondContact O-N 3.4Å; D465-N469 PolarHBondContact O-ND2 2.86Å
466	Y	84.8	Confident	86.8	Confident	16 Å²	16	42.5 Å²	42.5	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-74.1	-37.3	179.8	-84	-92	0	0	0	112	F415 Y423 N463 N469 I470 A529 I581	F415-Y466 AromaticContact CE2-CE1 3.94Å; F415-Y466 HydrophobicContact CE2-CE1 3.94Å; F415-Y466 AromaticContact CZ-CE1 3.72Å; F415-Y466 HydrophobicContact CZ-CE1 3.72Å; F415-Y466 AromaticContact CZ-CZ 3.83Å; F415-Y466 WeakPolarHBondContact CZ-OH 3.21Å; Y423-Y466 AromaticContact CD1-CD1 3.93Å; Y423-Y466 HydrophobicContact CD1-CD1 3.93Å; Y423-Y466 HydrophobicContact CD1-CE1 4.12Å; Y423-Y466 HydrophobicContact CE1-CD1 4.01Å; Y423-Y466 HydrophobicContact CE1-CE1 4.02Å; N463-Y466 HydrophobicContact CB-CD2 4.41Å; N463-Y466 PolarHBondContact O-N 3.27Å; N463-Y466 VanDerWaalsContact O-N 3.09Å; Y466-N469 PolarHBondContact O-N 3.3Å; Y466-I470 WeakPolarHBondContact O-CB 3.32Å; Y466-I470 VanDerWaalsContact O-CG1 3.23Å; Y466-I470 WeakPolarHBondContact O-CG1 3.49Å; Y466-I470 PolarHBondContact O-N 2.85Å; Y466-A529 HydrophobicContact CD1-CB 3.5Å; Y466-A529 VanDerWaalsContact CD2-CA 3.49Å; Y466-A529 HydrophobicContact CD2-CB 3.74Å; Y466-A529 HydrophobicContact CE1-CB 3.49Å; Y466-A529 VanDerWaalsContact CE1-CB 3.49Å; Y466-A529 HydrophobicContact CE2-CB 3.72Å; Y466-A529 HydrophobicContact CG-CB 3.62Å; Y466-I581 WeakPolarHBondContact OH-CD1 3.41Å
467	D	87.1	Confident	86.6	Confident	28 Å²	28	40.8 Å²	40.8	15%	0.15	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-49.9	175.8	-169.5	65.2	0	0	0	110.7	I462 N463 N469 I470 D471 R490 L492	I462-D467 HydrophobicContact CD1-CB 4.02Å; I462-D467 HydrophobicContact CG1-CB 4.16Å; I462-D467 HydrophobicContact CG2-CB 3.94Å; N463-D467 PolarHBondContact O-N 3.48Å; D467-N469 VanDerWaalsContact C-N 3.34Å; D467-N469 PolarHBondContact O-N 2.93Å; D467-I470 PolarHBondContact O-N 3.11Å; D467-D471 WeakPolarHBondContact O-CB 3.48Å; D467-D471 PolarHBondContact O-N 2.69Å; D467-R490 IonicContact OD1-CZ 3.52Å; D467-R490 IonicContact OD1-NH1 3.83Å; D467-R490 PolarHBondContact OD1-NH1 3.01Å; D467-R490 IonicContact OD2-NH1 2.72Å; D467-L492 HydrophobicContact CB-CD1 3.79Å
468	A	86.7	Confident	86.3	Confident	53 Å²	53	38.3 Å²	38.3	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-39.8	178.5	0	0	0	0	0	113.2	T464 T472	T464-A468 WeakPolarHBondContact O-CB 3.47Å; T464-A468 PolarHBondContact O-N 3.09Å; T464-A468 VanDerWaalsContact O-N 3.12Å; A468-T472 WeakPolarHBondContact O-CB 3.05Å; A468-T472 PolarHBondContact O-N 3.08Å; A468-T472 VanDerWaalsContact O-N 3.1Å; A468-T472 PolarHBondContact O-OG1 2.9Å
469	N	87.5	Confident	85.9	Confident	50 Å²	50	48.4 Å²	48.4	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-75.4	-34	179.4	-81.6	-69.8	0	0	0	113.3	Y423 D465 Y466 D467 N473	Y423-N469 HydrophobicContact CD1-CB 3.54Å; Y423-N469 HydrophobicContact CD2-CB 3.96Å; Y423-N469 HydrophobicContact CE1-CB 3.35Å; Y423-N469 HydrophobicContact CE2-CB 3.75Å; Y423-N469 HydrophobicContact CG-CB 3.85Å; Y423-N469 VanDerWaalsContact CZ-CB 3.44Å; Y423-N469 PolarHBondContact OH-ND2 3.46Å; D465-N469 WeakPolarHBondContact O-CB 3.38Å; D465-N469 PolarHBondContact O-N 3.4Å; D465-N469 PolarHBondContact O-ND2 2.86Å; Y466-N469 PolarHBondContact O-N 3.3Å; D467-N469 VanDerWaalsContact C-N 3.34Å; D467-N469 PolarHBondContact O-N 2.93Å; N469-N473 WeakPolarHBondContact O-CB 3.25Å; N469-N473 PolarHBondContact O-N 3.49Å; N469-N473 PolarHBondContact O-ND2 3.32Å
470	I	84.8	Confident	85.5	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-43.9	173.3	-72.6	172.5	0	0	0	109.8	I462 Y466 D467 T472 V474 L475 Y486	I462-I470 HydrophobicContact CD1-CD1 3.97Å; Y466-I470 WeakPolarHBondContact O-CB 3.32Å; Y466-I470 VanDerWaalsContact O-CG1 3.23Å; Y466-I470 WeakPolarHBondContact O-CG1 3.49Å; Y466-I470 PolarHBondContact O-N 2.85Å; D467-I470 PolarHBondContact O-N 3.11Å; I470-T472 VanDerWaalsContact C-N 3.33Å; I470-T472 PolarHBondContact O-N 2.97Å; I470-V474 HydrophobicContact CG2-CB 4.25Å; I470-V474 HydrophobicContact CG2-CG2 4.41Å; I470-V474 WeakPolarHBondContact O-CA 3.44Å; I470-V474 VanDerWaalsContact O-CB 3.25Å; I470-V474 WeakPolarHBondContact O-CB 3.43Å; I470-V474 PolarHBondContact O-N 3.15Å; I470-L475 PolarHBondContact O-N 3.41Å; I470-Y486 HydrophobicContact CG2-CE2 4.19Å
471	D	84.7	Confident	84.9	Confident	53 Å²	53	58.6 Å²	58.6	28%	0.283	33%	0.334	S	S	.	.	I	π-helix	trans	-58.8	-45.2	177.4	-80.2	7.9	0	0	0	111.1	D467 L475 A476 R490	D467-D471 WeakPolarHBondContact O-CB 3.48Å; D467-D471 PolarHBondContact O-N 2.69Å; D471-L475 WeakPolarHBondContact O-CB 3.48Å; D471-L475 PolarHBondContact O-N 3.39Å; D471-L475 WeakPolarHBondContact OD1-CD1 3.44Å; D471-A476 PolarHBondContact O-N 3.14Å; D471-R490 IonicContact OD1-NH1 2.77Å; D471-R490 PolarHBondContact OD1-NH1 3.11Å; D471-R490 IonicContact OD2-NH1 2.9Å
472	T	86	Confident	84.3	Confident	96 Å²	96	62.9 Å²	62.9	59%	0.589	36%	0.361	S	S	*	.	I	π-helix	trans	-76.6	-42.8	-178.1	-53.3	0	0	0	0	113.6	A468 I470 A476	A468-T472 WeakPolarHBondContact O-CB 3.05Å; A468-T472 PolarHBondContact O-N 3.08Å; A468-T472 VanDerWaalsContact O-N 3.1Å; A468-T472 PolarHBondContact O-OG1 2.9Å; I470-T472 VanDerWaalsContact C-N 3.33Å; I470-T472 PolarHBondContact O-N 2.97Å; T472-A476 VanDerWaalsContact O-CB 3.32Å; T472-A476 WeakPolarHBondContact O-CB 3.22Å
473	N	84.3	Confident	83.3	Confident	83 Å²	83	70.2 Å²	70.2	44%	0.444	39%	0.389	S	S	.	.	I	π-helix	trans	-89.6	-32.6	-173.1	-64.2	-60.2	0	0	0	113.1	Y423 N469 S477	Y423-N473 WeakPolarHBondContact CD2-ND2 3.47Å; N469-N473 WeakPolarHBondContact O-CB 3.25Å; N469-N473 PolarHBondContact O-N 3.49Å; N469-N473 PolarHBondContact O-ND2 3.32Å; N473-S477 PolarHBondContact O-OG 3.19Å
474	V	82.6	Confident	81.8	Confident	22 Å²	22	70.6 Å²	70.6	13%	0.133	39%	0.393	C	S	.	.	I	π-helix	trans	-104.9	-53.5	-174.2	-173.2	0	0	0	0	111.1	K424 A427 I470 S477 A478	K424-V474 HydrophobicContact CB-CG2 4.2Å; A427-V474 HydrophobicContact CB-CG1 4.46Å; A427-V474 HydrophobicContact CB-CG2 4.22Å; I470-V474 HydrophobicContact CG2-CB 4.25Å; I470-V474 HydrophobicContact CG2-CG2 4.41Å; I470-V474 WeakPolarHBondContact O-CA 3.44Å; I470-V474 VanDerWaalsContact O-CB 3.25Å; I470-V474 WeakPolarHBondContact O-CB 3.43Å; I470-V474 PolarHBondContact O-N 3.15Å; V474-S477 PolarHBondContact O-OG 3.13Å; V474-A478 WeakPolarHBondContact O-CB 3.4Å; V474-A478 PolarHBondContact O-N 3.17Å
475	L	82.5	Confident	80.5	Confident	24 Å²	24	71.2 Å²	71.2	13%	0.126	40%	0.395	C	S	.	.	I	π-helix	trans	-74.4	-41.4	-174.5	-56.9	-171.8	0	0	0	112	I470 D471 S477 A478 L481 A484	I470-L475 PolarHBondContact O-N 3.41Å; D471-L475 WeakPolarHBondContact O-CB 3.48Å; D471-L475 PolarHBondContact O-N 3.39Å; D471-L475 WeakPolarHBondContact OD1-CD1 3.44Å; L475-S477 PolarHBondContact O-N 2.96Å; L475-A478 PolarHBondContact O-N 3.16Å; L475-A478 VanDerWaalsContact O-N 3.07Å; L475-L481 HydrophobicContact CB-CD2 3.97Å; L475-L481 VanDerWaalsContact O-CD2 3.25Å; L475-L481 WeakPolarHBondContact O-CD2 3.29Å; L475-A484 HydrophobicContact CD2-CB 3.62Å
476	A	83.6	Confident	79.5	Confident	81 Å²	81	68 Å²	68	67%	0.669	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.2	178.8	0	0	0	0	0	113.2	D471 T472	D471-A476 PolarHBondContact O-N 3.14Å; T472-A476 VanDerWaalsContact O-CB 3.32Å; T472-A476 WeakPolarHBondContact O-CB 3.22Å
477	S	83.1	Confident	78.1	Confident	86 Å²	86	73.8 Å²	73.8	60%	0.601	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.2	175.8	66.9	0	0	0	0	113.6	N473 V474 L475	N473-S477 PolarHBondContact O-OG 3.19Å; V474-S477 PolarHBondContact O-OG 3.13Å; L475-S477 PolarHBondContact O-N 2.96Å
478	A	81.5	Confident	77.1	Confident	28 Å²	28	73.4 Å²	73.4	23%	0.231	41%	0.405	C	S	.	.			trans	-88	116.8	-177.7	0	0	0	0	0	112.5	V474 L475 Q480 A484	V474-A478 WeakPolarHBondContact O-CB 3.4Å; V474-A478 PolarHBondContact O-N 3.17Å; L475-A478 PolarHBondContact O-N 3.16Å; L475-A478 VanDerWaalsContact O-N 3.07Å; A478-Q480 PolarHBondContact O-N 3.41Å; A478-A484 HydrophobicContact CB-CB 3.44Å; A478-A484 VanDerWaalsContact CB-CB 3.44Å
479	F	82.4	Confident	76.9	Confident	213 Å²	213	74.8 Å²	74.8	93%	0.934	40%	0.399	S	S	*	.	S	Bend	trans	-64.5	-22.2	171.4	-75.2	-75.6	0	0	0	113.6
480	Q	81.5	Confident	76.8	Confident	124 Å²	124	78.5 Å²	78.5	58%	0.579	41%	0.409	S	S	*	.			trans	-124.8	80.4	-177.5	-61.6	174.2	-21	0	0	110.2	A478 P482 Y483 A484	A478-Q480 PolarHBondContact O-N 3.41Å; Q480-P482 VanDerWaalsContact C-CD 3.44Å; Q480-P482 VanDerWaalsContact C-N 3.34Å; Q480-Y483 HydrophobicContact CB-CD2 3.61Å; Q480-Y483 HydrophobicContact CB-CE2 4.36Å; Q480-Y483 HydrophobicContact CG-CD2 4.24Å; Q480-Y483 PolarHBondContact O-N 2.93Å; Q480-A484 PolarHBondContact O-N 3.32Å
481	L	76.8	Confident	77	Confident	97 Å²	97	79 Å²	79	51%	0.508	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-50.3	-42.5	-178.7	-69.2	171.4	0	0	0	114.1	L475 Y483 A484 D485	L475-L481 HydrophobicContact CB-CD2 3.97Å; L475-L481 VanDerWaalsContact O-CD2 3.25Å; L475-L481 WeakPolarHBondContact O-CD2 3.29Å; L481-Y483 PolarHBondContact O-N 2.87Å; L481-A484 PolarHBondContact O-N 2.88Å; L481-D485 WeakPolarHBondContact O-CB 3.44Å; L481-D485 PolarHBondContact O-N 3.1Å
482	P	77.7	Confident	77.3	Confident	91 Å²	91	80.4 Å²	80.4	59%	0.591	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.9	178.9	-23.5	34.9	0	0	0	114.9	Q480	Q480-P482 VanDerWaalsContact C-CD 3.44Å; Q480-P482 VanDerWaalsContact C-N 3.34Å
483	Y	69.4	Low	77.6	Confident	162 Å²	162	76.1 Å²	76.1	64%	0.635	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-100.8	0.4	173.3	-56.1	-61.7	0	0	0	113.1	R431 Q480 L481	R431-Y483 PolarHBondContact NH1-O 3.08Å; Q480-Y483 HydrophobicContact CB-CD2 3.61Å; Q480-Y483 HydrophobicContact CB-CE2 4.36Å; Q480-Y483 HydrophobicContact CG-CD2 4.24Å; Q480-Y483 PolarHBondContact O-N 2.93Å; L481-Y483 PolarHBondContact O-N 2.87Å
484	A	58	Low	77.8	Confident	14 Å²	14	74.8 Å²	74.8	12%	0.116	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-34.7	169.8	0	0	0	0	0	110.7	L475 A478 Q480 L481	L475-A484 HydrophobicContact CD2-CB 3.62Å; A478-A484 HydrophobicContact CB-CB 3.44Å; A478-A484 VanDerWaalsContact CB-CB 3.44Å; Q480-A484 PolarHBondContact O-N 3.32Å; L481-A484 PolarHBondContact O-N 2.88Å
485	D	61.3	Low	78	Confident	70 Å²	70	73.8 Å²	73.8	37%	0.374	38%	0.379	S	S	.	.	S	Bend	trans	-62.4	144.5	172.1	-161.7	7.3	0	0	0	110.9	L481	L481-D485 WeakPolarHBondContact O-CB 3.44Å; L481-D485 PolarHBondContact O-N 3.1Å
486	Y	63.2	Low	78.2	Confident	32 Å²	32	72.9 Å²	72.9	13%	0.125	37%	0.374	C	S	.	.			trans	-88	124.9	173.6	-49.2	-63.3	0	0	0	106.6	A427 R431 I470 N488	A427-Y486 WeakPolarHBondContact CA-OH 3.48Å; A427-Y486 WeakPolarHBondContact CB-OH 3.31Å; A427-Y486 WeakPolarHBondContact O-CE1 3.37Å; R431-Y486 HydrophobicContact CB-CD1 3.63Å; R431-Y486 HydrophobicContact CB-CE1 3.74Å; R431-Y486 HydrophobicContact CG-CD1 4.13Å; I470-Y486 HydrophobicContact CG2-CE2 4.19Å; Y486-N488 PolarHBondContact O-N 2.95Å
487	L	55.7	Low	78.2	Confident	139 Å²	139	69.4 Å²	69.4	73%	0.728	35%	0.346	S	S	*	.	S	Bend	trans	-67.7	20.6	-175.5	-70	167.5	0	0	0	114.3
488	N	66.7	Low	78.4	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.102	34%	0.339	C	S	.	.	S	Bend	trans	-116.1	158.8	-170.3	-64.6	5.4	0	0	0	111.4	S434 K458 I460 Y486 R490	S434-N488 WeakPolarHBondContact CB-ND2 3.29Å; S434-N488 PolarHBondContact OG-ND2 3.25Å; S434-N488 PolarHBondContact OG-OD1 3.33Å; K458-N488 HydrophobicContact CB-CB 4.46Å; I460-N488 HydrophobicContact CD1-CB 3.96Å; I460-N488 HydrophobicContact CG1-CB 3.97Å; Y486-N488 PolarHBondContact O-N 2.95Å; N488-R490 PolarHBondContact O-N 3.43Å; N488-R490 VanDerWaalsContact O-N 3.16Å
489	R	81.8	Confident	78.8	Confident	83 Å²	83	69.6 Å²	69.6	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	109.7	173.8	175	170.4	143.2	-151.3	-6.7	109.8	T295 V459 I460 E535	T295-R489 VanDerWaalsContact C-NH2 3.34Å; T295-R489 PolarHBondContact O-NH2 3.4Å; T295-R489 PolarHBondContact OG1-NH2 3.49Å; V459-R489 WeakPolarHBondContact CA-O 3.44Å; I460-R489 PolarHBondContact N-O 3.3Å; R489-E535 IonicContact CZ-OE2 2.61Å; R489-E535 IonicContact NH1-OE2 3.9Å; R489-E535 PolarHBondContact NH1-OE2 2.91Å
490	R	84.4	Confident	79.1	Confident	127 Å²	127	61.7 Å²	61.7	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.8	169.8	64.2	175.9	170	-178.3	-6.7	110.8	I460 D467 D471 N488	I460-R490 CarbonylContact O-C 3.6Å; I460-R490 WeakPolarHBondContact O-CA 3.13Å; D467-R490 IonicContact OD1-CZ 3.52Å; D467-R490 IonicContact OD1-NH1 3.83Å; D467-R490 PolarHBondContact OD1-NH1 3.01Å; D467-R490 IonicContact OD2-NH1 2.72Å; D471-R490 IonicContact OD1-NH1 2.77Å; D471-R490 PolarHBondContact OD1-NH1 3.11Å; D471-R490 IonicContact OD2-NH1 2.9Å; N488-R490 PolarHBondContact O-N 3.43Å; N488-R490 VanDerWaalsContact O-N 3.16Å
491	I	89.8	Confident	79.5	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.8	166.9	-56.7	178.3	0	0	0	106.7	P292 L293 T295 L296 V459 I460 L461 I462	P292-I491 HydrophobicContact CB-CG2 3.89Å; L293-I491 HydrophobicContact CD2-CG2 4.02Å; T295-I491 WeakPolarHBondContact OG1-CD1 3.44Å; L296-I491 HydrophobicContact CD2-CD1 4.43Å; L296-I491 HydrophobicContact CG-CD1 4.43Å; V459-I491 HydrophobicContact CG1-CB 4.46Å; V459-I491 HydrophobicContact CG1-CD1 3.5Å; V459-I491 HydrophobicContact CG1-CG1 3.74Å; I460-I491 PolarHBondContact O-N 2.85Å; L461-I491 WeakPolarHBondContact CA-O 3.32Å; L461-I491 HydrophobicContact CD2-CB 3.85Å; L461-I491 HydrophobicContact CD2-CD1 4.26Å; L461-I491 HydrophobicContact CD2-CG1 4.47Å; L461-I491 HydrophobicContact CD2-CG2 4.41Å; I462-I491 PolarHBondContact N-O 2.73Å
492	L	90.8	Very high	80.1	Confident	84 Å²	84	56 Å²	56	44%	0.44	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.1	176.7	-168.8	66.6	0	0	0	109.2	I462 T464 D467	I462-L492 HydrophobicContact CG2-CD1 4.23Å; T464-L492 HydrophobicContact CG2-CD1 3.89Å; T464-L492 HydrophobicContact CG2-CD2 4.04Å; T464-L492 HydrophobicContact CG2-CG 3.84Å; D467-L492 HydrophobicContact CB-CD1 3.79Å
493	I	91.8	Very high	80.6	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.9	170.7	59.7	169.5	0	0	0	108.7	L293 F394 L461 I462 N463 T464 G495 L496	L293-I493 HydrophobicContact CD2-CG2 4.17Å; F394-I493 HydrophobicContact CE2-CG2 4.2Å; F394-I493 HydrophobicContact CZ-CG2 4.48Å; L461-I493 HydrophobicContact CB-CD1 4.2Å; I462-I493 WeakPolarHBondContact O-CG1 3.05Å; I462-I493 PolarHBondContact O-N 2.86Å; N463-I493 WeakPolarHBondContact CA-O 3.31Å; T464-I493 PolarHBondContact N-O 3.39Å; T464-I493 VanDerWaalsContact N-O 3.08Å; I493-G495 VanDerWaalsContact C-N 3.27Å; I493-G495 PolarHBondContact O-N 3.26Å; I493-L496 HydrophobicContact CD1-CD2 3.83Å; I493-L496 HydrophobicContact CD1-CG 3.99Å
494	D	88.6	Confident	81.6	Confident	55 Å²	55	47.7 Å²	47.7	29%	0.294	24%	0.239	S	C	.	.	S	Bend	trans	-57.9	-40.6	171.9	52.4	-10.9	0	0	0	111.9	F394 K398 N463 H498	F394-D494 WeakPolarHBondContact CZ-OD1 3.24Å; K398-D494 IonicContact NZ-OD1 2.9Å; K398-D494 PolarHBondContact NZ-OD1 3.05Å; K398-D494 IonicContact NZ-OD2 2.86Å; K398-D494 PolarHBondContact NZ-OD2 2.8Å; N463-D494 PolarHBondContact OD1-O 3.2Å; D494-H498 PolarHBondContact O-CD2 2.68Å
495	G	86.7	Confident	83.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	25%	0.247	C	C	.	.			trans	154.9	153.3	179.6	0	0	0	0	0	110.2	K398 I493 G497	K398-G495 WeakPolarHBondContact CD-O 3.11Å; K398-G495 PolarHBondContact NZ-O 3.01Å; K398-G495 VanDerWaalsContact NZ-O 3.16Å; I493-G495 VanDerWaalsContact C-N 3.27Å; I493-G495 PolarHBondContact O-N 3.26Å; G495-G497 PolarHBondContact O-N 3.12Å
496	L	87.7	Confident	84.3	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	26%	0.264	C	S	.	.	S	Bend	trans	-74.6	-18.8	177.3	-66.1	176.1	0	0	0	112.3	K398 I401 I405 I493 L525 V528 V531	K398-L496 HydrophobicContact CB-CD2 4.28Å; K398-L496 HydrophobicContact CG-CD2 4.36Å; I401-L496 HydrophobicContact CG2-CD1 4.27Å; I401-L496 HydrophobicContact CG2-CD2 4.36Å; I405-L496 HydrophobicContact CD1-CD1 3.48Å; I405-L496 VanDerWaalsContact CD1-CD1 3.48Å; I493-L496 HydrophobicContact CD1-CD2 3.83Å; I493-L496 HydrophobicContact CD1-CG 3.99Å; L496-L525 HydrophobicContact CB-CB 4.08Å; L496-L525 HydrophobicContact CB-CD2 4.37Å; L496-V528 HydrophobicContact CD1-CB 4.41Å; L496-V528 HydrophobicContact CD1-CG1 4.13Å; L496-V531 HydrophobicContact CD1-CG2 3.87Å
497	G	83.4	Confident	85.3	Confident	7 Å²	7	53.5 Å²	53.5	7%	0.072	27%	0.265	C	S	.	.	S	Bend	trans	-82.9	-19.2	176.3	0	0	0	0	0	114.9	G495 L499 M522	G495-G497 PolarHBondContact O-N 3.12Å; G497-L499 VanDerWaalsContact C-N 3.33Å; G497-L499 PolarHBondContact O-N 3.04Å; G497-M522 WeakPolarHBondContact CA-O 3.32Å
498	H	88.1	Confident	86.7	Confident	101 Å²	101	47.3 Å²	47.3	47%	0.468	23%	0.232	S	C	.	.			trans	-81	73.5	179.7	-68.2	-59.4	0	0	0	111.8	K398 D494 D526	K398-H498 PolarHBondContact NZ-O 2.83Å; D494-H498 PolarHBondContact O-CD2 2.68Å; H498-D526 IonicContact CD2-OD1 2.74Å; H498-D526 IonicContact NE2-OD1 2.81Å
499	L	88.6	Confident	87.5	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	26%	0.256	C	S	.	.			trans	-108.7	134.8	-177.9	-63.2	174.9	0	0	0	111.7	K398 Y399 G497 I501 L504 P517	K398-L499 HydrophobicContact CB-CD2 3.73Å; Y399-L499 HydrophobicContact CD2-CD1 4.24Å; G497-L499 VanDerWaalsContact C-N 3.33Å; G497-L499 PolarHBondContact O-N 3.04Å; L499-I501 PolarHBondContact O-N 3.14Å; L499-I501 VanDerWaalsContact O-N 3.13Å; L499-L504 HydrophobicContact CB-CD1 3.93Å; L499-L504 HydrophobicContact CD1-CD1 4.36Å; L499-L504 HydrophobicContact CD2-CD1 4.45Å; L499-L504 HydrophobicContact CG-CD1 4.48Å; L499-P517 HydrophobicContact CD1-CG 4.1Å
500	D	89.6	Confident	87.3	Confident	46 Å²	46	53.7 Å²	53.7	25%	0.246	28%	0.283	C	S	.	.			trans	-80.6	89.3	170.7	-172.9	-26.5	0	0	0	110.3	Y391 A502 R503 L504	Y391-D500 HydrophobicContact CE1-CB 4.17Å; D500-A502 VanDerWaalsContact C-N 3.27Å; D500-A502 PolarHBondContact O-N 3.02Å; D500-A502 PolarHBondContact OD1-N 2.98Å; D500-R503 HydrophobicContact CB-CB 4.29Å; D500-R503 PolarHBondContact O-N 3.24Å; D500-R503 PolarHBondContact OD1-N 3.3Å; D500-R503 WeakPolarHBondContact OD2-CD 3.44Å; D500-R503 VanDerWaalsContact OD2-CG 3.29Å; D500-R503 WeakPolarHBondContact OD2-CG 3.36Å; D500-L504 WeakPolarHBondContact O-CG 3.15Å; D500-L504 PolarHBondContact O-N 3.36Å
501	I	89.4	Confident	87.1	Confident	37 Å²	37	49.5 Å²	49.5	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-37.5	-177.4	-63.1	166.8	0	0	0	111.4	L499 R503 L504 N505 E516 M522	L499-I501 PolarHBondContact O-N 3.14Å; L499-I501 VanDerWaalsContact O-N 3.13Å; I501-R503 VanDerWaalsContact C-N 3.3Å; I501-R503 PolarHBondContact O-N 2.82Å; I501-L504 PolarHBondContact O-N 3.5Å; I501-N505 WeakPolarHBondContact CG2-ND2 3.49Å; I501-N505 VanDerWaalsContact O-CB 3.3Å; I501-N505 WeakPolarHBondContact O-CB 3.28Å; I501-N505 PolarHBondContact O-N 2.83Å; I501-N505 PolarHBondContact O-ND2 3.43Å; I501-E516 HydrophobicContact CG2-CG 3.79Å; I501-E516 WeakPolarHBondContact CG2-OE1 3.3Å; I501-M522 HydrophobicContact CD1-CE 3.53Å; I501-M522 HydrophobicContact CD1-SD 3.54Å; I501-M522 VanDerWaalsContact CD1-SD 3.54Å; I501-M522 HydrophobicContact CG1-SD 4.19Å
502	A	89.5	Confident	86.6	Confident	66 Å²	66	54.9 Å²	54.9	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-37	-178.7	0	0	0	0	0	111.9	D500	D500-A502 VanDerWaalsContact C-N 3.27Å; D500-A502 PolarHBondContact O-N 3.02Å; D500-A502 PolarHBondContact OD1-N 2.98Å
503	R	89.5	Confident	86	Confident	75 Å²	75	55.4 Å²	55.4	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-79.2	-37.3	175.3	-65.1	-174.6	73.7	147	-2.9	112.5	A388 D392 D500 I501 K506 A507	A388-R503 PolarHBondContact O-NH2 3.2Å; A388-R503 VanDerWaalsContact O-NH2 3.16Å; D392-R503 IonicContact OD1-CZ 3.87Å; D392-R503 IonicContact OD1-NE 2.82Å; D392-R503 PolarHBondContact OD1-NE 3.1Å; D392-R503 IonicContact OD1-NH2 3.84Å; D392-R503 PolarHBondContact OD1-NH2 2.84Å; D392-R503 VanDerWaalsContact OD1-NH2 3.09Å; D392-R503 IonicContact OD2-CZ 3.23Å; D392-R503 IonicContact OD2-NE 3.16Å; D392-R503 IonicContact OD2-NH2 3.8Å; D392-R503 PolarHBondContact OD2-NH2 3.49Å; D500-R503 HydrophobicContact CB-CB 4.29Å; D500-R503 PolarHBondContact O-N 3.24Å; D500-R503 PolarHBondContact OD1-N 3.3Å; D500-R503 WeakPolarHBondContact OD2-CD 3.44Å; D500-R503 VanDerWaalsContact OD2-CG 3.29Å; D500-R503 WeakPolarHBondContact OD2-CG 3.36Å; I501-R503 VanDerWaalsContact C-N 3.3Å; I501-R503 PolarHBondContact O-N 2.82Å; R503-K506 PolarHBondContact O-N 3.25Å; R503-A507 WeakPolarHBondContact O-CB 3.25Å; R503-A507 PolarHBondContact O-N 3.4Å
504	L	89.2	Confident	85.7	Confident	2 Å²	2	57 Å²	57	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-44.5	173.5	-72.5	172.5	0	0	0	112.1	N395 I396 Y399 L499 D500 I501 K506 A507 F508 Y514	N395-L504 HydrophobicContact CB-CD2 4.35Å; I396-L504 HydrophobicContact CG1-CD2 4.12Å; Y399-L504 HydrophobicContact CD2-CD1 4.15Å; Y399-L504 HydrophobicContact CG-CD1 4.3Å; Y399-L504 HydrophobicContact CG-CD2 4.36Å; L499-L504 HydrophobicContact CB-CD1 3.93Å; L499-L504 HydrophobicContact CD1-CD1 4.36Å; L499-L504 HydrophobicContact CD2-CD1 4.45Å; L499-L504 HydrophobicContact CG-CD1 4.48Å; D500-L504 WeakPolarHBondContact O-CG 3.15Å; D500-L504 PolarHBondContact O-N 3.36Å; I501-L504 PolarHBondContact O-N 3.5Å; L504-K506 PolarHBondContact O-N 3.42Å; L504-A507 PolarHBondContact O-N 3.28Å; L504-A507 VanDerWaalsContact O-N 3.08Å; L504-F508 HydrophobicContact CD2-CD2 4.23Å; L504-F508 HydrophobicContact CD2-CE2 3.87Å; L504-F508 PolarHBondContact O-N 2.86Å; L504-Y514 HydrophobicContact CB-CE2 4.24Å
505	N	89.2	Confident	85.5	Confident	53 Å²	53	58.3 Å²	58.3	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-32.7	175.9	-72.9	-10.1	0	0	0	111.9	I501 A509 Y514 E516	I501-N505 WeakPolarHBondContact CG2-ND2 3.49Å; I501-N505 VanDerWaalsContact O-CB 3.3Å; I501-N505 WeakPolarHBondContact O-CB 3.28Å; I501-N505 PolarHBondContact O-N 2.83Å; I501-N505 PolarHBondContact O-ND2 3.43Å; N505-A509 WeakPolarHBondContact O-CA 3.42Å; N505-A509 WeakPolarHBondContact O-CB 3.45Å; N505-A509 PolarHBondContact O-N 3.15Å; N505-Y514 WeakPolarHBondContact OD1-CE1 3.5Å; N505-Y514 VanDerWaalsContact OD1-CZ 3.29Å; N505-Y514 PolarHBondContact OD1-OH 3.47Å; N505-E516 PolarHBondContact ND2-OE1 3.16Å
506	K	86.6	Confident	85.5	Confident	168 Å²	168	63.4 Å²	63.4	73%	0.73	35%	0.352	S	S	*	.	H	α-helix	trans	-77.5	-41.2	173.4	-72.6	179.4	-179.3	176.1	0	112.4	R503 L504 F508	R503-K506 PolarHBondContact O-N 3.25Å; L504-K506 PolarHBondContact O-N 3.42Å; K506-F508 VanDerWaalsContact C-N 3.33Å; K506-F508 PolarHBondContact O-N 2.96Å
507	A	84.9	Confident	85.3	Confident	17 Å²	17	63.6 Å²	63.6	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-65.2	-38.1	-178.7	0	0	0	0	0	112.2	L353 I396 R503 L504	L353-A507 HydrophobicContact CD1-CB 4.21Å; L353-A507 HydrophobicContact CD2-CB 4.12Å; I396-A507 HydrophobicContact CD1-CB 4.16Å; R503-A507 WeakPolarHBondContact O-CB 3.25Å; R503-A507 PolarHBondContact O-N 3.4Å; L504-A507 PolarHBondContact O-N 3.28Å; L504-A507 VanDerWaalsContact O-N 3.08Å
508	F	85.3	Confident	85.3	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.044	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	16.4	-177.5	-67.3	-70.3	0	0	0	114.2	I396 Y399 L504 K506 N510 D511 Y514	I396-F508 HydrophobicContact CB-CZ 4.48Å; I396-F508 HydrophobicContact CG1-CE2 3.93Å; I396-F508 HydrophobicContact CG1-CZ 4.12Å; I396-F508 HydrophobicContact CG2-CE2 4.33Å; I396-F508 HydrophobicContact CG2-CZ 3.8Å; Y399-F508 AromaticContact CD1-CE2 3.9Å; Y399-F508 HydrophobicContact CD1-CE2 3.9Å; Y399-F508 HydrophobicContact CD1-CZ 4.27Å; Y399-F508 HydrophobicContact CE1-CE2 4.21Å; L504-F508 HydrophobicContact CD2-CD2 4.23Å; L504-F508 HydrophobicContact CD2-CE2 3.87Å; L504-F508 PolarHBondContact O-N 2.86Å; K506-F508 VanDerWaalsContact C-N 3.33Å; K506-F508 PolarHBondContact O-N 2.96Å; F508-N510 PolarHBondContact O-N 3.37Å; F508-D511 HydrophobicContact CB-CB 4.28Å; F508-D511 HydrophobicContact CD1-CB 4.07Å; F508-D511 PolarHBondContact O-N 3.07Å; F508-Y514 HydrophobicContact CB-CD1 4.11Å; F508-Y514 HydrophobicContact CB-CD2 3.59Å; F508-Y514 HydrophobicContact CB-CE2 4.26Å; F508-Y514 HydrophobicContact CB-CG 3.51Å; F508-Y514 AromaticContact CD2-CD2 3.61Å; F508-Y514 HydrophobicContact CD2-CD2 3.61Å; F508-Y514 AromaticContact CD2-CE2 3.83Å; F508-Y514 HydrophobicContact CD2-CE2 3.83Å; F508-Y514 HydrophobicContact CD2-CG 4.42Å; F508-Y514 HydrophobicContact CE2-CD2 4.43Å; F508-Y514 AromaticContact CG-CD2 3.71Å; F508-Y514 HydrophobicContact CG-CD2 3.71Å; F508-Y514 HydrophobicContact CG-CE2 4.34Å; F508-Y514 HydrophobicContact CG-CG 4.11Å
509	A	82	Confident	84.9	Confident	73 Å²	73	63.2 Å²	63.2	60%	0.603	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.8	-176.3	0	0	0	0	0	114.4	N505	N505-A509 WeakPolarHBondContact O-CA 3.42Å; N505-A509 WeakPolarHBondContact O-CB 3.45Å; N505-A509 PolarHBondContact O-N 3.15Å
510	N	79.1	Confident	84.1	Confident	163 Å²	163	66.6 Å²	66.6	87%	0.872	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	0.5	179.9	-62.8	-38.9	0	0	0	113.6	F508 P512	F508-N510 PolarHBondContact O-N 3.37Å; N510-P512 WeakPolarHBondContact O-CD 3.49Å
511	D	79.7	Confident	83.8	Confident	38 Å²	38	66.1 Å²	66.1	20%	0.203	38%	0.381	C	S	.	.			trans	-94.4	110.8	-180	-168.3	-23.5	0	0	0	110.2	F508 T513 Y514	F508-D511 HydrophobicContact CB-CB 4.28Å; F508-D511 HydrophobicContact CD1-CB 4.07Å; F508-D511 PolarHBondContact O-N 3.07Å; D511-T513 VanDerWaalsContact CG-OG1 3.29Å; D511-T513 PolarHBondContact O-N 3.16Å; D511-T513 WeakPolarHBondContact OD1-CB 3.33Å; D511-T513 PolarHBondContact OD1-N 3.09Å; D511-T513 PolarHBondContact OD1-OG1 3Å; D511-T513 PolarHBondContact OD2-OG1 3.33Å; D511-Y514 PolarHBondContact O-N 3.28Å
512	P	79.2	Confident	83.4	Confident	127 Å²	127	66.5 Å²	66.5	83%	0.825	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-12	179.9	30.2	-36	0	0	0	113.7	N510	N510-P512 WeakPolarHBondContact O-CD 3.49Å
513	T	78.9	Confident	83	Confident	96 Å²	96	66 Å²	66	59%	0.589	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.2	179.9	69.3	0	0	0	0	113.2	D511 T515	D511-T513 VanDerWaalsContact CG-OG1 3.29Å; D511-T513 PolarHBondContact O-N 3.16Å; D511-T513 WeakPolarHBondContact OD1-CB 3.33Å; D511-T513 PolarHBondContact OD1-N 3.09Å; D511-T513 PolarHBondContact OD1-OG1 3Å; D511-T513 PolarHBondContact OD2-OG1 3.33Å; T513-T515 PolarHBondContact O-N 2.97Å
514	Y	84	Confident	82.6	Confident	39 Å²	39	63.8 Å²	63.8	15%	0.153	37%	0.371	C	S	.	.			trans	-68.2	124.1	178.2	174.8	-104.4	0	0	0	111.2	Y399 L504 N505 F508 D511 E516	Y399-Y514 HydrophobicContact CD2-CE2 4.48Å; Y399-Y514 AromaticContact CE1-CD2 3.73Å; Y399-Y514 HydrophobicContact CE1-CD2 3.73Å; Y399-Y514 AromaticContact CE1-CE2 3.96Å; Y399-Y514 HydrophobicContact CE1-CE2 3.96Å; Y399-Y514 HydrophobicContact CE2-CD2 4.25Å; Y399-Y514 AromaticContact CE2-CE2 3.79Å; Y399-Y514 HydrophobicContact CE2-CE2 3.79Å; Y399-Y514 AromaticContact CZ-CD2 3.47Å; Y399-Y514 VanDerWaalsContact CZ-CD2 3.47Å; Y399-Y514 AromaticContact CZ-CE2 3.49Å; Y399-Y514 VanDerWaalsContact CZ-CE2 3.49Å; Y399-Y514 WeakPolarHBondContact OH-CD2 3.22Å; Y399-Y514 WeakPolarHBondContact OH-CE2 3.39Å; L504-Y514 HydrophobicContact CB-CE2 4.24Å; N505-Y514 WeakPolarHBondContact OD1-CE1 3.5Å; N505-Y514 VanDerWaalsContact OD1-CZ 3.29Å; N505-Y514 PolarHBondContact OD1-OH 3.47Å; F508-Y514 HydrophobicContact CB-CD1 4.11Å; F508-Y514 HydrophobicContact CB-CD2 3.59Å; F508-Y514 HydrophobicContact CB-CE2 4.26Å; F508-Y514 HydrophobicContact CB-CG 3.51Å; F508-Y514 AromaticContact CD2-CD2 3.61Å; F508-Y514 HydrophobicContact CD2-CD2 3.61Å; F508-Y514 AromaticContact CD2-CE2 3.83Å; F508-Y514 HydrophobicContact CD2-CE2 3.83Å; F508-Y514 HydrophobicContact CD2-CG 4.42Å; F508-Y514 HydrophobicContact CE2-CD2 4.43Å; F508-Y514 AromaticContact CG-CD2 3.71Å; F508-Y514 HydrophobicContact CG-CD2 3.71Å; F508-Y514 HydrophobicContact CG-CE2 4.34Å; F508-Y514 HydrophobicContact CG-CG 4.11Å; D511-Y514 PolarHBondContact O-N 3.28Å; Y514-E516 HydrophobicContact CE1-CB 4.12Å
515	T	84.8	Confident	82.4	Confident	82 Å²	82	63.8 Å²	63.8	50%	0.503	37%	0.37	S	S	.	.			trans	-114.2	115.1	172.5	55.6	0	0	0	0	108.5	Y399 Q403 T513 P517	Y399-T515 PolarHBondContact OH-N 3.48Å; Y399-T515 VanDerWaalsContact OH-N 3.08Å; Y399-T515 PolarHBondContact OH-O 3.36Å; Q403-T515 PolarHBondContact NE2-OG1 3.02Å; T513-T515 PolarHBondContact O-N 2.97Å; T515-P517 WeakPolarHBondContact O-CD 3.26Å
516	E	86.2	Confident	82.2	Confident	109 Å²	109	64 Å²	64	51%	0.509	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-60	122.8	176.9	-174.5	170.6	-162.3	0	0	110	I501 N505 Y514 S518	I501-E516 HydrophobicContact CG2-CG 3.79Å; I501-E516 WeakPolarHBondContact CG2-OE1 3.3Å; N505-E516 PolarHBondContact ND2-OE1 3.16Å; Y514-E516 HydrophobicContact CE1-CB 4.12Å; E516-S518 PolarHBondContact O-N 2.94Å
517	P	84.5	Confident	81.8	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.052	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-61.6	128.2	175.4	-20.8	32.3	0	0	0	110.3	Y399 L499 T515 D521 M522	Y399-P517 HydrophobicContact CD2-CG 3.87Å; Y399-P517 HydrophobicContact CE2-CG 3.69Å; L499-P517 HydrophobicContact CD1-CG 4.1Å; T515-P517 WeakPolarHBondContact O-CD 3.26Å; P517-D521 HydrophobicContact CB-CB 4.23Å; P517-M522 HydrophobicContact CB-CG 4.23Å
518	S	82.8	Confident	81.8	Confident	28 Å²	28	59.9 Å²	59.9	20%	0.196	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-73.2	164.3	171.7	65.8	0	0	0	0	111.5	E516 D520 D521 M522	E516-S518 PolarHBondContact O-N 2.94Å; S518-D520 PolarHBondContact O-N 3.07Å; S518-D521 WeakPolarHBondContact CB-OD2 3.16Å; S518-D521 PolarHBondContact N-OD2 2.9Å; S518-D521 WeakPolarHBondContact O-CB 3.37Å; S518-D521 PolarHBondContact O-N 3.27Å; S518-D521 PolarHBondContact OG-N 2.94Å; S518-D521 PolarHBondContact OG-OD2 3.43Å; S518-M522 PolarHBondContact O-N 3.5Å
519	A	80.1	Confident	81.7	Confident	72 Å²	72	59.4 Å²	59.4	60%	0.595	35%	0.349	S	S	*	.	H	α-helix	trans	-55.2	-35.9	174.4	0	0	0	0	0	112.3	M522 A523	A519-M522 HydrophobicContact CB-CE 4.43Å; A519-M522 PolarHBondContact O-N 3.41Å; A519-A523 WeakPolarHBondContact O-CB 3.17Å; A519-A523 PolarHBondContact O-N 3.36Å
520	D	72.3	Confident	81.9	Confident	89 Å²	89	56 Å²	56	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-67.8	-40	175.8	-61.6	-28.7	0	0	0	111.8	S518 M522 A523 F524	S518-D520 PolarHBondContact O-N 3.07Å; D520-M522 VanDerWaalsContact C-N 3.33Å; D520-M522 PolarHBondContact O-N 3.43Å; D520-A523 PolarHBondContact O-N 3.3Å; D520-F524 WeakPolarHBondContact O-CB 3.37Å; D520-F524 PolarHBondContact O-N 2.91Å
521	D	82.3	Confident	82.4	Confident	36 Å²	36	48.3 Å²	48.3	19%	0.193	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-41.7	176.9	-62	-41.4	0	0	0	110.7	L406 P517 S518 F524 L525	L406-D521 HydrophobicContact CD1-CB 3.82Å; L406-D521 HydrophobicContact CD2-CB 4.01Å; P517-D521 HydrophobicContact CB-CB 4.23Å; S518-D521 WeakPolarHBondContact CB-OD2 3.16Å; S518-D521 PolarHBondContact N-OD2 2.9Å; S518-D521 WeakPolarHBondContact O-CB 3.37Å; S518-D521 PolarHBondContact O-N 3.27Å; S518-D521 PolarHBondContact OG-N 2.94Å; S518-D521 PolarHBondContact OG-OD2 3.43Å; D521-F524 PolarHBondContact O-N 3.13Å; D521-L525 WeakPolarHBondContact O-CB 3.36Å; D521-L525 VanDerWaalsContact O-CG 3.27Å; D521-L525 WeakPolarHBondContact O-CG 3.45Å; D521-L525 PolarHBondContact O-N 2.81Å
522	M	82.2	Confident	83	Confident	46 Å²	46	46.5 Å²	46.5	23%	0.227	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-45	175.5	-67.9	-171.3	-70.2	0	0	111.9	G497 I501 P517 S518 A519 D520 F524 L525 D526	G497-M522 WeakPolarHBondContact CA-O 3.32Å; I501-M522 HydrophobicContact CD1-CE 3.53Å; I501-M522 HydrophobicContact CD1-SD 3.54Å; I501-M522 VanDerWaalsContact CD1-SD 3.54Å; I501-M522 HydrophobicContact CG1-SD 4.19Å; P517-M522 HydrophobicContact CB-CG 4.23Å; S518-M522 PolarHBondContact O-N 3.5Å; A519-M522 HydrophobicContact CB-CE 4.43Å; A519-M522 PolarHBondContact O-N 3.41Å; D520-M522 VanDerWaalsContact C-N 3.33Å; D520-M522 PolarHBondContact O-N 3.43Å; M522-F524 VanDerWaalsContact C-N 3.27Å; M522-F524 PolarHBondContact O-N 3.49Å; M522-L525 PolarHBondContact O-N 2.98Å; M522-D526 WeakPolarHBondContact O-CB 3.39Å; M522-D526 PolarHBondContact O-N 3.11Å
523	A	81	Confident	83.6	Confident	54 Å²	54	40.5 Å²	40.5	45%	0.446	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-32.9	177.4	0	0	0	0	0	112.6	A519 D520 K527	A519-A523 WeakPolarHBondContact O-CB 3.17Å; A519-A523 PolarHBondContact O-N 3.36Å; D520-A523 PolarHBondContact O-N 3.3Å; A523-K527 WeakPolarHBondContact O-CG 3.47Å
524	F	80.6	Confident	84.1	Confident	30 Å²	30	36.5 Å²	36.5	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-46.7	172.6	175.7	-95.5	0	0	0	111.9	I405 L406 D520 D521 M522 D526 K527 I580 T626	I405-F524 HydrophobicContact CG2-CE1 4.03Å; L406-F524 HydrophobicContact CD2-CD1 3.77Å; L406-F524 HydrophobicContact CD2-CE1 4.34Å; D520-F524 WeakPolarHBondContact O-CB 3.37Å; D520-F524 PolarHBondContact O-N 2.91Å; D521-F524 PolarHBondContact O-N 3.13Å; M522-F524 VanDerWaalsContact C-N 3.27Å; M522-F524 PolarHBondContact O-N 3.49Å; F524-D526 PolarHBondContact O-N 3Å; F524-K527 WeakPolarHBondContact O-CB 3.46Å; F524-K527 PolarHBondContact O-N 3.14Å; F524-K527 VanDerWaalsContact O-N 3.15Å; F524-I580 HydrophobicContact CE2-CG2 3.89Å; F524-I580 HydrophobicContact CZ-CD1 4.41Å; F524-I580 HydrophobicContact CZ-CG2 3.62Å; F524-T626 HydrophobicContact CD2-CG2 4.47Å; F524-T626 HydrophobicContact CE2-CG2 3.6Å; F524-T626 HydrophobicContact CZ-CG2 3.78Å
525	L	85	Confident	84.4	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-29.6	179.7	-74.5	177.9	0	0	0	112.8	I405 L406 L496 D521 M522 K527 V528	I405-L525 HydrophobicContact CB-CD2 4.25Å; I405-L525 HydrophobicContact CG2-CD2 4.26Å; L406-L525 HydrophobicContact CD1-CD1 3.96Å; L406-L525 HydrophobicContact CD1-CG 4.36Å; L406-L525 HydrophobicContact CD2-CD2 4.37Å; L406-L525 HydrophobicContact CD2-CG 4.23Å; L406-L525 HydrophobicContact CG-CD1 4.32Å; L406-L525 HydrophobicContact CG-CD2 4.14Å; L406-L525 HydrophobicContact CG-CG 4.23Å; L496-L525 HydrophobicContact CB-CB 4.08Å; L496-L525 HydrophobicContact CB-CD2 4.37Å; D521-L525 WeakPolarHBondContact O-CB 3.36Å; D521-L525 VanDerWaalsContact O-CG 3.27Å; D521-L525 WeakPolarHBondContact O-CG 3.45Å; D521-L525 PolarHBondContact O-N 2.81Å; M522-L525 PolarHBondContact O-N 2.98Å; L525-K527 VanDerWaalsContact C-N 3.32Å; L525-V528 WeakPolarHBondContact O-CB 3.38Å; L525-V528 PolarHBondContact O-N 3.29Å
526	D	83.9	Confident	84.7	Confident	58 Å²	58	35.6 Å²	35.6	31%	0.31	20%	0.199	S	C	.	.	H	α-helix	trans	-67.8	-31.9	175.6	-164	43.2	0	0	0	112.8	N463 H498 M522 F524 V528	N463-D526 PolarHBondContact ND2-O 2.87Å; H498-D526 IonicContact CD2-OD1 2.74Å; H498-D526 IonicContact NE2-OD1 2.81Å; M522-D526 WeakPolarHBondContact O-CB 3.39Å; M522-D526 PolarHBondContact O-N 3.11Å; F524-D526 PolarHBondContact O-N 3Å; D526-V528 PolarHBondContact O-N 2.92Å
527	K	79.3	Confident	84.9	Confident	95 Å²	95	30.4 Å²	30.4	41%	0.413	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.3	175.7	-67.8	177.6	-176.7	179.9	0	114	A523 F524 L525 A529 I581	A523-K527 WeakPolarHBondContact O-CG 3.47Å; F524-K527 WeakPolarHBondContact O-CB 3.46Å; F524-K527 PolarHBondContact O-N 3.14Å; F524-K527 VanDerWaalsContact O-N 3.15Å; L525-K527 VanDerWaalsContact C-N 3.32Å; K527-A529 PolarHBondContact O-N 3.48Å; K527-I581 HydrophobicContact CB-CD1 4.19Å
528	V	84.1	Confident	85.3	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.024	17%	0.173	C	C	.	.			trans	-72.8	114.9	176.8	-179.8	0	0	0	0	109	I405 L496 L525 D526 G530 V531	I405-V528 HydrophobicContact CD1-CG1 4.42Å; I405-V528 HydrophobicContact CG2-CG2 4.49Å; L496-V528 HydrophobicContact CD1-CB 4.41Å; L496-V528 HydrophobicContact CD1-CG1 4.13Å; L525-V528 WeakPolarHBondContact O-CB 3.38Å; L525-V528 PolarHBondContact O-N 3.29Å; D526-V528 PolarHBondContact O-N 2.92Å; V528-G530 VanDerWaalsContact C-N 3.28Å; V528-G530 PolarHBondContact O-N 2.92Å; V528-V531 HydrophobicContact CG1-CG2 4.16Å
529	A	83.6	Confident	85.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.			trans	-64.6	-35.2	-175.8	0	0	0	0	0	113.3	F415 N463 Y466 K527 Y579	F415-A529 HydrophobicContact CE1-CB 3.89Å; F415-A529 HydrophobicContact CZ-CB 3.75Å; N463-A529 PolarHBondContact N-O 3.04Å; Y466-A529 HydrophobicContact CD1-CB 3.5Å; Y466-A529 VanDerWaalsContact CD2-CA 3.49Å; Y466-A529 HydrophobicContact CD2-CB 3.74Å; Y466-A529 HydrophobicContact CE1-CB 3.49Å; Y466-A529 VanDerWaalsContact CE1-CB 3.49Å; Y466-A529 HydrophobicContact CE2-CB 3.72Å; Y466-A529 HydrophobicContact CG-CB 3.62Å; K527-A529 PolarHBondContact O-N 3.48Å; A529-Y579 PolarHBondContact N-O 3.39Å
530	G	86.5	Confident	86.3	Confident	2 Å²	2	26 Å²	26	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	173.8	-179.9	0	0	0	0	0	111.3	L461 V528 Y579	L461-G530 CarbonylContact O-C 3.47Å; L461-G530 WeakPolarHBondContact O-CA 3.4Å; V528-G530 VanDerWaalsContact C-N 3.28Å; V528-G530 PolarHBondContact O-N 2.92Å; G530-Y579 WeakPolarHBondContact O-CD2 3.12Å; G530-Y579 PolarHBondContact O-N 3.36Å
531	V	89.8	Confident	87.3	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.4	-179.6	-172.6	0	0	0	0	108.1	I401 I405 L461 L496 V528 I533 I576 M577 A578	I401-V531 HydrophobicContact CG2-CG2 4.42Å; I405-V531 HydrophobicContact CD1-CG2 3.94Å; L461-V531 PolarHBondContact N-O 3.29Å; L461-V531 PolarHBondContact O-N 3.22Å; L496-V531 HydrophobicContact CD1-CG2 3.87Å; V528-V531 HydrophobicContact CG1-CG2 4.16Å; V531-I533 HydrophobicContact CB-CG2 4.45Å; V531-I533 HydrophobicContact CG1-CG2 3.55Å; V531-I576 HydrophobicContact CG1-CD1 3.59Å; V531-I576 HydrophobicContact CG1-CG1 3.61Å; V531-M577 WeakPolarHBondContact CA-O 3.26Å; V531-A578 HydrophobicContact CG2-CB 4.35Å
532	I	91.4	Very high	87.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.7	169.3	-57.3	-179.6	0	0	0	107.1	M430 F437 V459 I460 I576 M577 Y579	M430-I532 HydrophobicContact CB-CD1 4.01Å; M430-I532 HydrophobicContact CG-CD1 4.21Å; M430-I532 VanDerWaalsContact O-CD1 3.24Å; M430-I532 WeakPolarHBondContact O-CD1 3.29Å; F437-I532 HydrophobicContact CD2-CG2 4.13Å; F437-I532 HydrophobicContact CE2-CB 4.29Å; F437-I532 HydrophobicContact CE2-CG2 3.65Å; F437-I532 HydrophobicContact CZ-CG2 4.43Å; V459-I532 WeakPolarHBondContact O-CA 3.3Å; I460-I532 HydrophobicContact CB-CG1 4.48Å; I460-I532 HydrophobicContact CD1-CD1 4.17Å; I460-I532 HydrophobicContact CD1-CG1 4.25Å; I460-I532 HydrophobicContact CG1-CD1 4.38Å; I460-I532 HydrophobicContact CG1-CG1 3.97Å; I460-I532 HydrophobicContact CG1-CG2 4.45Å; I460-I532 HydrophobicContact CG2-CG1 4.19Å; I532-I576 CarbonylContact O-C 3.55Å; I532-I576 VanDerWaalsContact O-CA 3.29Å; I532-I576 WeakPolarHBondContact O-CA 3.31Å; I532-M577 PolarHBondContact N-O 3.12Å; I532-M577 PolarHBondContact O-N 3.01Å; I532-Y579 HydrophobicContact CD1-CE2 3.9Å; I532-Y579 WeakPolarHBondContact CD1-OH 3.4Å; I532-Y579 HydrophobicContact CG1-CE2 3.8Å
533	I	91.5	Very high	88.2	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.7	179.7	64.4	175.9	0	0	0	110.4	L296 V459 L461 V531 F537 V538 I576	L296-I533 HydrophobicContact CD1-CD1 3.86Å; L296-I533 HydrophobicContact CD2-CD1 4.41Å; V459-I533 HydrophobicContact CB-CG1 4.01Å; V459-I533 PolarHBondContact N-O 3.16Å; V459-I533 PolarHBondContact O-N 2.99Å; L461-I533 HydrophobicContact CD1-CD1 3.99Å; L461-I533 HydrophobicContact CG-CD1 4.22Å; V531-I533 HydrophobicContact CB-CG2 4.45Å; V531-I533 HydrophobicContact CG1-CG2 3.55Å; I533-F537 HydrophobicContact CB-CB 4.25Å; I533-F537 HydrophobicContact CB-CD1 4.34Å; I533-F537 HydrophobicContact CG2-CD1 4.09Å; I533-V538 HydrophobicContact CD1-CG2 4.07Å; I533-I576 HydrophobicContact CG2-CB 4.34Å; I533-I576 HydrophobicContact CG2-CD1 3.65Å; I533-I576 HydrophobicContact CG2-CG1 3.85Å
534	D	90.8	Very high	88.7	Confident	13 Å²	13	21.3 Å²	21.3	7%	0.07	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	140.7	154.4	-161	-32.9	0	0	0	108.9	T453 D536 F537 V575	T453-D534 HydrophobicContact CG2-CB 4.14Å; T453-D534 VanDerWaalsContact CG2-CG 3.41Å; T453-D534 WeakPolarHBondContact CG2-OD2 3.46Å; T453-D534 PolarHBondContact OG1-OD2 3.36Å; D534-D536 PolarHBondContact O-N 3.44Å; D534-D536 PolarHBondContact OD1-N 2.96Å; D534-D536 VanDerWaalsContact OD1-N 3.07Å; D534-F537 HydrophobicContact CB-CB 4.38Å; D534-F537 WeakPolarHBondContact O-CB 3.34Å; D534-F537 PolarHBondContact O-N 3.15Å; D534-V575 HydrophobicContact CB-CG2 3.96Å; D534-V575 PolarHBondContact N-O 2.93Å
535	E	90.3	Very high	89.2	Confident	49 Å²	49	24.4 Å²	24.4	23%	0.229	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-53.3	-36.3	170.1	-167	-177.7	122.9	0	0	110.6	L296 K298 K457 V459 R489 F537	L296-E535 HydrophobicContact CD2-CG 4Å; K298-E535 VanDerWaalsContact CE-O 3.25Å; K298-E535 WeakPolarHBondContact CE-O 3.28Å; K298-E535 PolarHBondContact NZ-O 2.92Å; K298-E535 IonicContact NZ-OE1 3.88Å; K457-E535 WeakPolarHBondContact O-CB 3.37Å; K457-E535 PolarHBondContact O-N 2.58Å; V459-E535 HydrophobicContact CG2-CB 4.37Å; R489-E535 IonicContact CZ-OE2 2.61Å; R489-E535 IonicContact NH1-OE2 3.9Å; R489-E535 PolarHBondContact NH1-OE2 2.91Å; E535-F537 PolarHBondContact O-N 3.33Å
536	D	90.4	Very high	89.5	Confident	52 Å²	52	28.8 Å²	28.8	28%	0.278	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-75.7	-3.8	178.9	-65	-31.8	0	0	0	114	K298 K457 D534 Q539 S571	K298-D536 IonicContact NZ-OD1 3.79Å; K298-D536 PolarHBondContact NZ-OD1 3Å; K457-D536 IonicContact NZ-OD2 2.84Å; K457-D536 PolarHBondContact NZ-OD2 3.24Å; D534-D536 PolarHBondContact O-N 3.44Å; D534-D536 PolarHBondContact OD1-N 2.96Å; D534-D536 VanDerWaalsContact OD1-N 3.07Å; D536-Q539 PolarHBondContact O-NE2 2.76Å; D536-S571 WeakPolarHBondContact O-CB 3.31Å
537	F	91.7	Very high	89.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-68	-39.1	174.2	-178.5	-104.7	0	0	0	112.2	L410 I446 I533 D534 E535 V570 S571 I576	L410-F537 HydrophobicContact CD2-CE2 4.44Å; L410-F537 HydrophobicContact CD2-CZ 4.01Å; I446-F537 HydrophobicContact CD1-CE2 4.32Å; I533-F537 HydrophobicContact CB-CB 4.25Å; I533-F537 HydrophobicContact CB-CD1 4.34Å; I533-F537 HydrophobicContact CG2-CD1 4.09Å; D534-F537 HydrophobicContact CB-CB 4.38Å; D534-F537 WeakPolarHBondContact O-CB 3.34Å; D534-F537 PolarHBondContact O-N 3.15Å; E535-F537 PolarHBondContact O-N 3.33Å; F537-V570 HydrophobicContact CD1-CG1 4.06Å; F537-V570 HydrophobicContact CD2-CG1 4Å; F537-V570 HydrophobicContact CE1-CG1 3.44Å; F537-V570 VanDerWaalsContact CE1-CG1 3.44Å; F537-V570 HydrophobicContact CE1-CG2 4.46Å; F537-V570 HydrophobicContact CE2-CG1 3.38Å; F537-V570 HydrophobicContact CG-CG1 4.32Å; F537-V570 HydrophobicContact CZ-CB 4.48Å; F537-V570 HydrophobicContact CZ-CG1 3.07Å; F537-V570 CarbonylContact O-C 3.31Å; F537-V570 WeakPolarHBondContact O-CA 3.09Å; F537-S571 WeakPolarHBondContact CD2-O 3.09Å; F537-S571 PolarHBondContact O-N 3.39Å; F537-I576 HydrophobicContact CD1-CD1 3.92Å; F537-I576 HydrophobicContact CD2-CB 4.13Å; F537-I576 HydrophobicContact CD2-CG2 4.02Å; F537-I576 HydrophobicContact CE1-CB 4.46Å; F537-I576 HydrophobicContact CE1-CD1 3.29Å; F537-I576 HydrophobicContact CE1-CG1 4.44Å; F537-I576 HydrophobicContact CE2-CB 3.95Å; F537-I576 HydrophobicContact CE2-CD1 4.13Å; F537-I576 HydrophobicContact CE2-CG2 3.47Å; F537-I576 VanDerWaalsContact CE2-CG2 3.47Å; F537-I576 HydrophobicContact CG-CB 4.45Å; F537-I576 HydrophobicContact CZ-CB 4.11Å; F537-I576 HydrophobicContact CZ-CD1 3.39Å; F537-I576 HydrophobicContact CZ-CG1 4.34Å; F537-I576 HydrophobicContact CZ-CG2 3.8Å
538	V	91.3	Very high	90.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.9	179.3	177.3	0	0	0	0	109.2	L296 K298 T397 I401 I533 I540	L296-V538 HydrophobicContact CB-CB 4.45Å; L296-V538 HydrophobicContact CD1-CG2 4.3Å; K298-V538 WeakPolarHBondContact CE-O 3.3Å; T397-V538 HydrophobicContact CG2-CG1 4.25Å; I401-V538 HydrophobicContact CD1-CG2 4.29Å; I533-V538 HydrophobicContact CD1-CG2 4.07Å; V538-I540 HydrophobicContact CG1-CD1 3.42Å; V538-I540 VanDerWaalsContact CG1-CD1 3.42Å; V538-I540 HydrophobicContact CG1-CG1 3.57Å
539	Q	91.9	Very high	91	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	75.2	-174.2	-66.1	-70.8	-25.2	0	0	109.3	Y347 D536 Y541 G569	Y347-Q539 HydrophobicContact CD1-CB 4.31Å; Y347-Q539 HydrophobicContact CD2-CB 4.07Å; Y347-Q539 HydrophobicContact CD2-CG 4.2Å; Y347-Q539 HydrophobicContact CE1-CB 4.29Å; Y347-Q539 HydrophobicContact CE1-CG 4.17Å; Y347-Q539 HydrophobicContact CE2-CB 4.03Å; Y347-Q539 HydrophobicContact CE2-CG 3.65Å; Y347-Q539 HydrophobicContact CG-CB 4.22Å; D536-Q539 PolarHBondContact O-NE2 2.76Å; Q539-Y541 HydrophobicContact CB-CE2 4.15Å; Q539-Y541 VanDerWaalsContact OE1-CE2 3.3Å; Q539-Y541 PolarHBondContact OE1-OH 3.33Å; Q539-G569 PolarHBondContact N-O 2.97Å; Q539-G569 PolarHBondContact O-N 2.81Å
540	I	92.8	Very high	91.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121	178.2	-60.8	169	0	0	0	109.8	K297 K298 T397 V538 T567 Y568	K297-I540 HydrophobicContact CG-CB 4.29Å; K297-I540 HydrophobicContact CG-CG2 3.97Å; K298-I540 PolarHBondContact N-O 2.89Å; T397-I540 HydrophobicContact CG2-CD1 3.89Å; T397-I540 VanDerWaalsContact OG1-CD1 3.26Å; T397-I540 WeakPolarHBondContact OG1-CD1 3.43Å; V538-I540 HydrophobicContact CG1-CD1 3.42Å; V538-I540 VanDerWaalsContact CG1-CD1 3.42Å; V538-I540 HydrophobicContact CG1-CG1 3.57Å; I540-T567 VanDerWaalsContact CA-O 3.27Å; I540-T567 WeakPolarHBondContact CA-O 3.28Å; I540-Y568 HydrophobicContact CD1-CD1 4.04Å; I540-Y568 HydrophobicContact CD1-CE1 4.19Å; I540-Y568 HydrophobicContact CG1-CD1 3.81Å; I540-Y568 HydrophobicContact CG1-CE1 4.31Å; I540-Y568 HydrophobicContact CG2-CD1 4.27Å; I540-Y568 HydrophobicContact CG2-CE1 4.18Å
541	Y	92.9	Very high	91.7	Very high	40 Å²	40	44.2 Å²	44.2	16%	0.157	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	176.9	-59.6	-96.2	0	0	0	110.9	K298 G299 I301 V307 Q539 N543 Q566 T567	K298-Y541 HydrophobicContact CB-CD1 3.77Å; K298-Y541 HydrophobicContact CB-CE1 3.32Å; K298-Y541 HydrophobicContact CB-CE2 4.23Å; K298-Y541 HydrophobicContact CB-CG 4.39Å; K298-Y541 HydrophobicContact CG-CE1 4.21Å; K298-Y541 HydrophobicContact CG-CE2 4.34Å; G299-Y541 WeakPolarHBondContact O-CA 3.37Å; I301-Y541 HydrophobicContact CD1-CD1 3.73Å; I301-Y541 HydrophobicContact CD1-CD2 4.19Å; I301-Y541 HydrophobicContact CD1-CG 3.51Å; I301-Y541 HydrophobicContact CG1-CD1 3.82Å; I301-Y541 HydrophobicContact CG1-CG 4.03Å; V307-Y541 HydrophobicContact CB-CE2 4.49Å; V307-Y541 HydrophobicContact CG1-CE2 4.17Å; V307-Y541 HydrophobicContact CG2-CD2 4.18Å; V307-Y541 HydrophobicContact CG2-CE2 4.11Å; Q539-Y541 HydrophobicContact CB-CE2 4.15Å; Q539-Y541 VanDerWaalsContact OE1-CE2 3.3Å; Q539-Y541 PolarHBondContact OE1-OH 3.33Å; Y541-N543 PolarHBondContact O-OD1 3.25Å; Y541-Q566 CarbonylContact O-C 3.59Å; Y541-Q566 VanDerWaalsContact O-CA 3.24Å; Y541-Q566 WeakPolarHBondContact O-CA 3.27Å; Y541-Q566 WeakPolarHBondContact O-CB 3.4Å; Y541-T567 HydrophobicContact CD2-CG2 4.38Å; Y541-T567 PolarHBondContact N-O 3.39Å; Y541-T567 PolarHBondContact O-N 3.24Å
542	D	92.3	Very high	91.7	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.4	172.9	-68.2	-25.6	0	0	0	109.8	K297 G299 V300 I301 Q566	K297-D542 VanDerWaalsContact CE-CG 3.43Å; K297-D542 WeakPolarHBondContact CE-OD1 3.44Å; K297-D542 WeakPolarHBondContact CE-OD2 3.3Å; K297-D542 IonicContact NZ-OD1 2.64Å; K297-D542 PolarHBondContact NZ-OD1 2.91Å; K297-D542 IonicContact NZ-OD2 3.72Å; K297-D542 PolarHBondContact NZ-OD2 3.41Å; G299-D542 PolarHBondContact O-N 3.45Å; V300-D542 CarbonylContact C-O 3.58Å; V300-D542 WeakPolarHBondContact CA-O 3.12Å; V300-D542 WeakPolarHBondContact CG1-O 3.42Å; V300-D542 HydrophobicContact CG2-CB 4.09Å; I301-D542 PolarHBondContact N-O 3.37Å; D542-Q566 PolarHBondContact OD1-NE2 2.92Å
543	N	90.8	Very high	91.5	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-47.5	175.2	-68.7	68.2	0	0	0	110.4	M349 Y541 W565 T567	M349-N543 HydrophobicContact SD-CB 4.06Å; Y541-N543 PolarHBondContact O-OD1 3.25Å; N543-W565 WeakPolarHBondContact CA-O 3.26Å; N543-W565 HydrophobicContact CB-CB 4.33Å; N543-W565 WeakPolarHBondContact CB-O 3.44Å; N543-W565 PolarHBondContact N-O 3.04Å; N543-T567 PolarHBondContact OD1-N 3.42Å; N543-T567 PolarHBondContact OD1-OG1 3Å
544	V	90.9	Very high	91.3	Very high	39 Å²	39	57.8 Å²	57.8	24%	0.236	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.8	175.9	-179.6	0	0	0	0	108.4	E546 H563 M564 W565	V544-E546 HydrophobicContact CG1-CB 4.29Å; V544-E546 HydrophobicContact CG1-CG 4.18Å; V544-H563 HydrophobicContact CG1-CB 4.12Å; V544-M564 CarbonylContact O-C 3.58Å; V544-M564 VanDerWaalsContact O-CA 3.3Å; V544-M564 WeakPolarHBondContact O-CA 3.36Å; V544-W565 HydrophobicContact CB-CB 3.9Å; V544-W565 HydrophobicContact CB-CD2 3.99Å; V544-W565 HydrophobicContact CB-CE3 4.09Å; V544-W565 HydrophobicContact CB-CG 3.94Å; V544-W565 HydrophobicContact CG2-CB 4.3Å; V544-W565 HydrophobicContact CG2-CD2 3.93Å; V544-W565 HydrophobicContact CG2-CE3 3.49Å; V544-W565 VanDerWaalsContact CG2-CE3 3.49Å; V544-W565 HydrophobicContact CG2-CG 4.31Å; V544-W565 HydrophobicContact CG2-CZ3 4.1Å; V544-W565 PolarHBondContact N-O 3.37Å; V544-W565 PolarHBondContact O-N 3Å
545	F	91.5	Very high	90.9	Very high	95 Å²	95	60.2 Å²	60.2	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	79.7	170.6	-165.2	-98.2	0	0	0	108.9	Y386 A389 L562 H563 M564	Y386-F545 HydrophobicContact CD1-CE1 4.17Å; Y386-F545 HydrophobicContact CD1-CZ 4.02Å; Y386-F545 HydrophobicContact CE1-CE1 4.03Å; Y386-F545 HydrophobicContact CE1-CZ 4.26Å; A389-F545 HydrophobicContact CB-CE2 4.37Å; F545-L562 HydrophobicContact CE1-CD1 4.36Å; F545-L562 HydrophobicContact CE2-CD1 4.4Å; F545-L562 HydrophobicContact CE2-CD2 4.26Å; F545-L562 HydrophobicContact CZ-CD1 4.22Å; F545-L562 HydrophobicContact CZ-CD2 4.16Å; F545-H563 VanDerWaalsContact CA-O 3.3Å; F545-H563 WeakPolarHBondContact CA-O 3.27Å; F545-M564 HydrophobicContact CD2-CB 4.02Å; F545-M564 HydrophobicContact CD2-CG 3.91Å; F545-M564 HydrophobicContact CD2-SD 4.16Å; F545-M564 HydrophobicContact CE2-CB 4.22Å; F545-M564 HydrophobicContact CE2-CG 4.14Å; F545-M564 HydrophobicContact CE2-SD 3.85Å
546	E	92.3	Very high	90.5	Very high	92 Å²	92	63.2 Å²	63.2	43%	0.43	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.3	-172.4	-66.9	-170.2	175.1	0	0	111.6	V544 R548 H563	V544-E546 HydrophobicContact CG1-CB 4.29Å; V544-E546 HydrophobicContact CG1-CG 4.18Å; E546-R548 IonicContact OE2-CZ 3.57Å; E546-R548 IonicContact OE2-NE 3.92Å; E546-R548 PolarHBondContact OE2-NE 2.82Å; E546-R548 VanDerWaalsContact OE2-NE 3.12Å; E546-R548 IonicContact OE2-NH2 2.73Å; E546-R548 PolarHBondContact OE2-NH2 3.46Å; E546-H563 PolarHBondContact N-O 3.38Å; E546-H563 PolarHBondContact O-N 3.49Å
547	M	92.9	Very high	90.4	Very high	53 Å²	53	62.3 Å²	62.3	26%	0.261	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.8	166.6	-176	69.4	77.5	0	0	109.4	I382 V385 Y386 F561 L562	I382-M547 HydrophobicContact CG2-CE 4.42Å; V385-M547 HydrophobicContact CB-CE 4.44Å; V385-M547 HydrophobicContact CG1-CE 4.11Å; Y386-M547 HydrophobicContact CE2-CE 3.76Å; M547-F561 CarbonylContact C-O 3.53Å; M547-F561 WeakPolarHBondContact CA-O 3.44Å; M547-L562 HydrophobicContact CB-CD1 4.38Å; M547-L562 HydrophobicContact CE-CB 3.9Å; M547-L562 HydrophobicContact CE-CD1 4.36Å; M547-L562 HydrophobicContact SD-CB 4.05Å
548	R	94.4	Very high	90.3	Very high	142 Å²	142	64.9 Å²	64.9	54%	0.536	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.4	173.9	-65.6	-65.3	-177	159.5	-2.6	109.8	E546 Y560 F561	E546-R548 IonicContact OE2-CZ 3.57Å; E546-R548 IonicContact OE2-NE 3.92Å; E546-R548 PolarHBondContact OE2-NE 2.82Å; E546-R548 VanDerWaalsContact OE2-NE 3.12Å; E546-R548 IonicContact OE2-NH2 2.73Å; E546-R548 PolarHBondContact OE2-NH2 3.46Å; R548-Y560 CarbonylContact O-C 3.54Å; R548-Y560 WeakPolarHBondContact O-CA 3.4Å; R548-F561 PolarHBondContact N-O 3.21Å; R548-F561 PolarHBondContact O-N 2.93Å
549	D	91.7	Very high	90.3	Very high	103 Å²	103	66.1 Å²	66.1	55%	0.551	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.1	175.6	65.9	-47.7	0	0	0	111.6	N559 Y560	D549-N559 CarbonylContact C-O 3.45Å; D549-N559 VanDerWaalsContact CA-O 3.27Å; D549-N559 WeakPolarHBondContact CA-O 3.46Å; D549-Y560 HydrophobicContact CB-CD1 3.74Å; D549-Y560 HydrophobicContact CB-CE1 3.89Å
550	M	93	Very high	90.3	Very high	102 Å²	102	66.6 Å²	66.6	50%	0.502	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	119.5	176.1	-171.5	175.9	73.3	0	0	110.8	N559 F561	M550-N559 PolarHBondContact N-O 3.23Å; M550-N559 PolarHBondContact O-N 3.22Å; M550-F561 HydrophobicContact CB-CE2 4.43Å
551	P	92.2	Very high	90.3	Very high	83 Å²	83	69.2 Å²	69.2	54%	0.539	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.7	173.1	29.3	-32.5	0	0	0	111.3
552	V	89.6	Confident	90.4	Very high	41 Å²	41	67.3 Å²	67.3	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	99.1	172.9	-175.5	0	0	0	0	108.9	N554 T555 L556 D557	V552-N554 VanDerWaalsContact C-N 3.26Å; V552-N554 PolarHBondContact O-N 2.9Å; V552-T555 VanDerWaalsContact CG1-OG1 3.31Å; V552-T555 WeakPolarHBondContact CG1-OG1 3.49Å; V552-T555 PolarHBondContact O-N 3.46Å; V552-L556 WeakPolarHBondContact O-CA 3.49Å; V552-L556 PolarHBondContact O-N 3.42Å; V552-D557 HydrophobicContact CB-CB 4.22Å; V552-D557 PolarHBondContact N-O 2.8Å; V552-D557 PolarHBondContact O-N 3.34Å
553	A	87.2	Confident	90.5	Very high	92 Å²	92	68.4 Å²	68.4	76%	0.76	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.7	-173.2	0	0	0	0	0	114.3
554	N	86.1	Confident	90.6	Very high	154 Å²	154	67.4 Å²	67.4	82%	0.824	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-40.1	-176.3	-170.4	35.4	0	0	0	113	V552	V552-N554 VanDerWaalsContact C-N 3.26Å; V552-N554 PolarHBondContact O-N 2.9Å
555	T	82.6	Confident	90.6	Very high	64 Å²	64	69.5 Å²	69.5	39%	0.393	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-5	-177.1	53.1	0	0	0	0	113.1	N360 V552 D557	N360-T555 PolarHBondContact ND2-O 3.32Å; N360-T555 VanDerWaalsContact ND2-O 3.15Å; V552-T555 VanDerWaalsContact CG1-OG1 3.31Å; V552-T555 WeakPolarHBondContact CG1-OG1 3.49Å; V552-T555 PolarHBondContact O-N 3.46Å; T555-D557 WeakPolarHBondContact CB-OD2 3.46Å; T555-D557 PolarHBondContact O-N 2.85Å; T555-D557 VanDerWaalsContact OG1-CG 3.24Å; T555-D557 PolarHBondContact OG1-OD2 2.91Å
556	L	83.4	Confident	90.6	Very high	112 Å²	112	65 Å²	65	59%	0.586	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	23.2	-174.1	-52.8	173.4	0	0	0	113.6	A362 V552	A362-L556 HydrophobicContact CB-CB 4.34Å; A362-L556 HydrophobicContact CB-CD1 4.13Å; V552-L556 WeakPolarHBondContact O-CA 3.49Å; V552-L556 PolarHBondContact O-N 3.42Å
557	D	87.2	Confident	90.5	Very high	33 Å²	33	60.6 Å²	60.6	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	153.3	176.4	-61.8	-38.4	0	0	0	111.7	T358 N360 V552 T555	T358-D557 HydrophobicContact CG2-CB 3.69Å; N360-D557 WeakPolarHBondContact CB-OD1 3.21Å; N360-D557 PolarHBondContact ND2-OD1 3.48Å; V552-D557 HydrophobicContact CB-CB 4.22Å; V552-D557 PolarHBondContact N-O 2.8Å; V552-D557 PolarHBondContact O-N 3.34Å; T555-D557 WeakPolarHBondContact CB-OD2 3.46Å; T555-D557 PolarHBondContact O-N 2.85Å; T555-D557 VanDerWaalsContact OG1-CG 3.24Å; T555-D557 PolarHBondContact OG1-OD2 2.91Å
558	H	89	Confident	90.4	Very high	54 Å²	54	58.4 Å²	58.4	25%	0.25	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.5	160.9	-86.8	65.1	0	0	0	109.3	T358 V359 Y560	T358-H558 CarbonylContact C-O 3.42Å; T358-H558 WeakPolarHBondContact CA-O 3.47Å; V359-H558 PolarHBondContact N-O 2.99Å; V359-H558 PolarHBondContact O-N 2.89Å; H558-Y560 HydrophobicContact CB-CE2 4.14Å
559	N	91.9	Very high	90.1	Very high	28 Å²	28	52 Å²	52	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.7	173.5	-66.5	-20	0	0	0	109.4	T358 D549 M550 F561	T358-N559 VanDerWaalsContact CB-OD1 3.32Å; T358-N559 WeakPolarHBondContact CB-OD1 3.36Å; T358-N559 WeakPolarHBondContact CG2-OD1 3.47Å; T358-N559 PolarHBondContact OG1-OD1 2.73Å; D549-N559 CarbonylContact C-O 3.45Å; D549-N559 VanDerWaalsContact CA-O 3.27Å; D549-N559 WeakPolarHBondContact CA-O 3.46Å; M550-N559 PolarHBondContact N-O 3.23Å; M550-N559 PolarHBondContact O-N 3.22Å; N559-F561 HydrophobicContact CB-CD2 4.3Å; N559-F561 HydrophobicContact CB-CE2 3.44Å; N559-F561 VanDerWaalsContact CB-CE2 3.44Å; N559-F561 HydrophobicContact CB-CZ 3.71Å
560	Y	92	Very high	90.1	Very high	22 Å²	22	48 Å²	48	9%	0.086	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.5	169.8	-60	-84.7	0	0	0	108.6	P356 V357 V359 R361 I382 R548 D549 H558	P356-Y560 CarbonylContact C-O 3.53Å; P356-Y560 VanDerWaalsContact CA-O 3.29Å; P356-Y560 WeakPolarHBondContact CA-O 3.4Å; V357-Y560 PolarHBondContact N-O 3.13Å; V357-Y560 PolarHBondContact O-N 2.98Å; V359-Y560 HydrophobicContact CB-CE2 4.11Å; V359-Y560 HydrophobicContact CG2-CD2 4.09Å; V359-Y560 HydrophobicContact CG2-CE2 3.8Å; R361-Y560 PolarHBondContact NH2-OH 3.33Å; I382-Y560 HydrophobicContact CD1-CE1 4.3Å; I382-Y560 HydrophobicContact CD1-CE2 4.44Å; R548-Y560 CarbonylContact O-C 3.54Å; R548-Y560 WeakPolarHBondContact O-CA 3.4Å; D549-Y560 HydrophobicContact CB-CD1 3.74Å; D549-Y560 HydrophobicContact CB-CE1 3.89Å; H558-Y560 HydrophobicContact CB-CE2 4.14Å
561	F	93.6	Very high	90	Very high	55 Å²	55	43.2 Å²	43.2	24%	0.241	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	107.5	179.6	-59.3	-88.1	0	0	0	107.9	T354 P356 M547 R548 M550 N559	T354-F561 HydrophobicContact CG2-CB 4.21Å; T354-F561 HydrophobicContact CG2-CD1 4.25Å; P356-F561 HydrophobicContact CB-CD1 3.73Å; P356-F561 HydrophobicContact CB-CE1 3.79Å; M547-F561 CarbonylContact C-O 3.53Å; M547-F561 WeakPolarHBondContact CA-O 3.44Å; R548-F561 PolarHBondContact N-O 3.21Å; R548-F561 PolarHBondContact O-N 2.93Å; M550-F561 HydrophobicContact CB-CE2 4.43Å; N559-F561 HydrophobicContact CB-CD2 4.3Å; N559-F561 HydrophobicContact CB-CE2 3.44Å; N559-F561 VanDerWaalsContact CB-CE2 3.44Å; N559-F561 HydrophobicContact CB-CZ 3.71Å
562	L	94.9	Very high	90	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111	167	178.7	67	0	0	0	108.2	T354 Y355 V385 Y386 A389 F545 M547	T354-L562 CarbonylContact C-O 3.52Å; T354-L562 VanDerWaalsContact CA-O 3.28Å; T354-L562 WeakPolarHBondContact CA-O 3.45Å; Y355-L562 HydrophobicContact CD2-CB 4.46Å; Y355-L562 HydrophobicContact CD2-CD2 4.34Å; Y355-L562 HydrophobicContact CD2-CG 4.48Å; Y355-L562 PolarHBondContact N-O 3.05Å; Y355-L562 PolarHBondContact O-N 2.72Å; Y355-L562 VanDerWaalsContact O-N 3.14Å; V385-L562 HydrophobicContact CG1-CB 3.39Å; V385-L562 HydrophobicContact CG1-CD2 3.66Å; V385-L562 HydrophobicContact CG1-CG 4.15Å; Y386-L562 HydrophobicContact CD1-CD2 4.01Å; Y386-L562 HydrophobicContact CE1-CD1 3.94Å; Y386-L562 HydrophobicContact CE1-CD2 4.24Å; A389-L562 HydrophobicContact CB-CD2 3.79Å; F545-L562 HydrophobicContact CE1-CD1 4.36Å; F545-L562 HydrophobicContact CE2-CD1 4.4Å; F545-L562 HydrophobicContact CE2-CD2 4.26Å; F545-L562 HydrophobicContact CZ-CD1 4.22Å; F545-L562 HydrophobicContact CZ-CD2 4.16Å; M547-L562 HydrophobicContact CB-CD1 4.38Å; M547-L562 HydrophobicContact CE-CB 3.9Å; M547-L562 HydrophobicContact CE-CD1 4.36Å; M547-L562 HydrophobicContact SD-CB 4.05Å
563	H	94	Very high	90	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.227	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.5	171.6	-64	-76.7	0	0	0	108.8	T354 V544 F545 E546	T354-H563 PolarHBondContact OG1-ND1 3.32Å; V544-H563 HydrophobicContact CG1-CB 4.12Å; F545-H563 VanDerWaalsContact CA-O 3.3Å; F545-H563 WeakPolarHBondContact CA-O 3.27Å; E546-H563 PolarHBondContact N-O 3.38Å; E546-H563 PolarHBondContact O-N 3.49Å
564	M	92.3	Very high	90.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	98.3	174.3	177	167.2	53.1	0	0	108.7	L353 Y355 A389 V544 F545 Q566	L353-M564 HydrophobicContact CD1-CE 4.41Å; L353-M564 PolarHBondContact N-O 3.5Å; L353-M564 CarbonylContact O-C 3.56Å; L353-M564 PolarHBondContact O-N 2.88Å; Y355-M564 HydrophobicContact CE2-CB 4.16Å; Y355-M564 HydrophobicContact CE2-CE 3.38Å; Y355-M564 WeakPolarHBondContact OH-CE 3.35Å; A389-M564 VanDerWaalsContact CA-CE 3.43Å; A389-M564 HydrophobicContact CB-CE 3.42Å; A389-M564 VanDerWaalsContact CB-CE 3.42Å; A389-M564 HydrophobicContact CB-SD 3.92Å; A389-M564 WeakPolarHBondContact O-CE 3.38Å; V544-M564 CarbonylContact O-C 3.58Å; V544-M564 VanDerWaalsContact O-CA 3.3Å; V544-M564 WeakPolarHBondContact O-CA 3.36Å; F545-M564 HydrophobicContact CD2-CB 4.02Å; F545-M564 HydrophobicContact CD2-CG 3.91Å; F545-M564 HydrophobicContact CD2-SD 4.16Å; F545-M564 HydrophobicContact CE2-CB 4.22Å; F545-M564 HydrophobicContact CE2-CG 4.14Å; F545-M564 HydrophobicContact CE2-SD 3.85Å; M564-Q566 HydrophobicContact CG-CG 3.93Å; M564-Q566 PolarHBondContact SD-OE1 3.43Å; M564-Q566 VanDerWaalsContact SD-OE1 3.34Å
565	W	91.8	Very high	90.3	Very high	82 Å²	82	28.4 Å²	28.4	31%	0.311	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.4	176.4	-54.5	-4.3	0	0	0	108.5	M349 S351 Q352 N543 V544	M349-W565 HydrophobicContact SD-CB 3.94Å; M349-W565 HydrophobicContact SD-CE3 4.21Å; S351-W565 CarbonylContact O-C 3.57Å; S351-W565 VanDerWaalsContact O-CA 3.27Å; S351-W565 WeakPolarHBondContact O-CA 3.44Å; Q352-W565 HydrophobicContact CB-CD2 4.46Å; Q352-W565 HydrophobicContact CB-CG 4.17Å; Q352-W565 HydrophobicContact CG-CB 4.39Å; Q352-W565 HydrophobicContact CG-CD2 4.09Å; Q352-W565 HydrophobicContact CG-CG 4Å; N543-W565 WeakPolarHBondContact CA-O 3.26Å; N543-W565 HydrophobicContact CB-CB 4.33Å; N543-W565 WeakPolarHBondContact CB-O 3.44Å; N543-W565 PolarHBondContact N-O 3.04Å; V544-W565 HydrophobicContact CB-CB 3.9Å; V544-W565 HydrophobicContact CB-CD2 3.99Å; V544-W565 HydrophobicContact CB-CE3 4.09Å; V544-W565 HydrophobicContact CB-CG 3.94Å; V544-W565 HydrophobicContact CG2-CB 4.3Å; V544-W565 HydrophobicContact CG2-CD2 3.93Å; V544-W565 HydrophobicContact CG2-CE3 3.49Å; V544-W565 VanDerWaalsContact CG2-CE3 3.49Å; V544-W565 HydrophobicContact CG2-CG 4.31Å; V544-W565 HydrophobicContact CG2-CZ3 4.1Å; V544-W565 PolarHBondContact N-O 3.37Å; V544-W565 PolarHBondContact O-N 3Å
566	Q	91.1	Very high	90.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.6	-170.4	-64	177.8	-63.1	0	0	110.3	K297 N350 S351 E393 Y541 D542 M564 Y568	K297-Q566 VanDerWaalsContact NZ-NE2 3.2Å; N350-Q566 PolarHBondContact OD1-O 3.28Å; S351-Q566 PolarHBondContact N-O 3.5Å; S351-Q566 PolarHBondContact O-N 2.78Å; E393-Q566 PolarHBondContact OE1-NE2 3.05Å; Y541-Q566 CarbonylContact O-C 3.59Å; Y541-Q566 VanDerWaalsContact O-CA 3.24Å; Y541-Q566 WeakPolarHBondContact O-CA 3.27Å; Y541-Q566 WeakPolarHBondContact O-CB 3.4Å; D542-Q566 PolarHBondContact OD1-NE2 2.92Å; M564-Q566 HydrophobicContact CG-CG 3.93Å; M564-Q566 PolarHBondContact SD-OE1 3.43Å; M564-Q566 VanDerWaalsContact SD-OE1 3.34Å; Q566-Y568 HydrophobicContact CB-CD2 4.16Å; Q566-Y568 HydrophobicContact CB-CE2 3.69Å; Q566-Y568 VanDerWaalsContact OE1-CZ 3.24Å; Q566-Y568 PolarHBondContact OE1-OH 3.09Å
567	T	91	Very high	91	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.2	168.9	-60	0	0	0	0	107.8	I348 M349 I540 Y541 N543	I348-T567 WeakPolarHBondContact O-CG2 3.48Å; M349-T567 VanDerWaalsContact CA-OG1 3.31Å; M349-T567 WeakPolarHBondContact CA-OG1 3.46Å; M349-T567 PolarHBondContact N-OG1 2.91Å; I540-T567 VanDerWaalsContact CA-O 3.27Å; I540-T567 WeakPolarHBondContact CA-O 3.28Å; Y541-T567 HydrophobicContact CD2-CG2 4.38Å; Y541-T567 PolarHBondContact N-O 3.39Å; Y541-T567 PolarHBondContact O-N 3.24Å; N543-T567 PolarHBondContact OD1-N 3.42Å; N543-T567 PolarHBondContact OD1-OG1 3Å
568	Y	89.8	Confident	91	Very high	6 Å²	6	19.4 Å²	19.4	2%	0.024	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	174.1	-69.1	-83.1	0	0	0	110.2	N350 S351 E393 I396 L400 I540 Q566	N350-Y568 PolarHBondContact ND2-O 2.86Å; N350-Y568 WeakPolarHBondContact OD1-CB 3.38Å; N350-Y568 PolarHBondContact OD1-N 3.36Å; S351-Y568 VanDerWaalsContact CB-CE2 3.45Å; E393-Y568 HydrophobicContact CG-CE1 4.27Å; I396-Y568 HydrophobicContact CB-CE1 4.05Å; I396-Y568 HydrophobicContact CD1-CE2 4.06Å; I396-Y568 HydrophobicContact CG2-CD1 3.43Å; I396-Y568 VanDerWaalsContact CG2-CD1 3.43Å; I396-Y568 HydrophobicContact CG2-CD2 4.05Å; I396-Y568 HydrophobicContact CG2-CE1 3.4Å; I396-Y568 VanDerWaalsContact CG2-CE1 3.4Å; I396-Y568 HydrophobicContact CG2-CE2 4.03Å; I396-Y568 HydrophobicContact CG2-CG 3.75Å; L400-Y568 HydrophobicContact CD1-CD1 3.99Å; L400-Y568 HydrophobicContact CD1-CG 4.27Å; I540-Y568 HydrophobicContact CD1-CD1 4.04Å; I540-Y568 HydrophobicContact CD1-CE1 4.19Å; I540-Y568 HydrophobicContact CG1-CD1 3.81Å; I540-Y568 HydrophobicContact CG1-CE1 4.31Å; I540-Y568 HydrophobicContact CG2-CD1 4.27Å; I540-Y568 HydrophobicContact CG2-CE1 4.18Å; Q566-Y568 HydrophobicContact CB-CD2 4.16Å; Q566-Y568 HydrophobicContact CB-CE2 3.69Å; Q566-Y568 VanDerWaalsContact OE1-CZ 3.24Å; Q566-Y568 PolarHBondContact OE1-OH 3.09Å
569	G	88.9	Confident	90.9	Very high	9 Å²	9	16.9 Å²	16.9	9%	0.093	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	170	177.8	0	0	0	0	0	112.8	Q539	Q539-G569 PolarHBondContact N-O 2.97Å; Q539-G569 PolarHBondContact O-N 2.81Å
570	V	90.5	Very high	90.3	Very high	17 Å²	17	16 Å²	16	10%	0.103	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.4	174.7	172.6	0	0	0	0	108.4	Y347 L400 F537 P572	Y347-V570 WeakPolarHBondContact CE1-O 3.39Å; L400-V570 HydrophobicContact CB-CG2 4.35Å; F537-V570 HydrophobicContact CD1-CG1 4.06Å; F537-V570 HydrophobicContact CD2-CG1 4Å; F537-V570 HydrophobicContact CE1-CG1 3.44Å; F537-V570 VanDerWaalsContact CE1-CG1 3.44Å; F537-V570 HydrophobicContact CE1-CG2 4.46Å; F537-V570 HydrophobicContact CE2-CG1 3.38Å; F537-V570 HydrophobicContact CG-CG1 4.32Å; F537-V570 HydrophobicContact CZ-CB 4.48Å; F537-V570 HydrophobicContact CZ-CG1 3.07Å; F537-V570 CarbonylContact O-C 3.31Å; F537-V570 WeakPolarHBondContact O-CA 3.09Å; V570-P572 WeakPolarHBondContact O-CD 3.48Å
571	S	92.3	Very high	89.2	Confident	3 Å²	3	15.6 Å²	15.6	2%	0.021	8%	0.078	C	C	.	.			trans	-77.1	122.8	177.5	-177.5	0	0	0	0	111.2	D309 Y347 D536 F537 I573 G574	D309-S571 PolarHBondContact OD2-OG 3.38Å; Y347-S571 WeakPolarHBondContact OH-CA 3.29Å; Y347-S571 VanDerWaalsContact OH-CB 3.27Å; Y347-S571 WeakPolarHBondContact OH-CB 3.44Å; Y347-S571 PolarHBondContact OH-OG 3.06Å; D536-S571 WeakPolarHBondContact O-CB 3.31Å; F537-S571 WeakPolarHBondContact CD2-O 3.09Å; F537-S571 PolarHBondContact O-N 3.39Å; S571-I573 PolarHBondContact O-N 3.19Å; S571-I573 PolarHBondContact OG-N 2.81Å; S571-G574 PolarHBondContact O-N 3.01Å
572	P	90.3	Very high	87.6	Confident	38 Å²	38	14.8 Å²	14.8	25%	0.247	8%	0.079	C	C	.	.	S	Bend	trans	-72.1	-11.3	175.4	32.3	-35.4	0	0	0	112.4	A345 I446 A447 V570	A345-P572 HydrophobicContact CB-CG 3.73Å; I446-P572 HydrophobicContact CB-CB 4.03Å; I446-P572 HydrophobicContact CG2-CB 4.4Å; I446-P572 PolarHBondContact N-O 3.22Å; I446-P572 VanDerWaalsContact N-O 3.07Å; A447-P572 HydrophobicContact CB-CB 4.27Å; A447-P572 WeakPolarHBondContact CB-O 3.37Å; A447-P572 PolarHBondContact N-O 3.46Å; V570-P572 WeakPolarHBondContact O-CD 3.48Å
573	I	90.2	Very high	85.9	Confident	12 Å²	12	16.5 Å²	16.5	6%	0.062	9%	0.088	C	C	.	.	S	Bend	trans	-88	-30.9	179.1	-63.5	144.6	0	0	0	111.1	D309 F311 N445 V449 S571	D309-I573 WeakPolarHBondContact OD2-CD1 3.41Å; F311-I573 HydrophobicContact CB-CD1 3.53Å; F311-I573 HydrophobicContact CB-CG1 3.76Å; F311-I573 HydrophobicContact CB-CG2 3.96Å; F311-I573 HydrophobicContact CD1-CG2 4.4Å; F311-I573 HydrophobicContact CD2-CG2 3.31Å; F311-I573 HydrophobicContact CE2-CG2 3.8Å; F311-I573 HydrophobicContact CG-CD1 4.45Å; F311-I573 HydrophobicContact CG-CG1 4.25Å; F311-I573 HydrophobicContact CG-CG2 3.64Å; N445-I573 WeakPolarHBondContact CB-O 3.29Å; V449-I573 HydrophobicContact CG2-CG2 4.19Å; S571-I573 PolarHBondContact O-N 3.19Å; S571-I573 PolarHBondContact OG-N 2.81Å
574	G	88.6	Confident	84.3	Confident	6 Å²	6	14.3 Å²	14.3	6%	0.062	8%	0.078	C	C	.	.	S	Bend	trans	-61.1	142.8	179.5	0	0	0	0	0	112.1	N445 S571	N445-G574 WeakPolarHBondContact CB-O 3.31Å; S571-G574 PolarHBondContact O-N 3.01Å
575	V	90.4	Very high	83.1	Confident	3 Å²	3	16.5 Å²	16.5	2%	0.018	9%	0.089	C	C	.	.			trans	-82.1	140.8	176.8	-60.6	0	0	0	0	111.3	F437 Y444 T451 T453 D534	F437-V575 HydrophobicContact CD1-CG2 4.43Å; F437-V575 HydrophobicContact CD2-CB 4.28Å; F437-V575 HydrophobicContact CD2-CG2 3.46Å; F437-V575 VanDerWaalsContact CD2-CG2 3.46Å; F437-V575 HydrophobicContact CE1-CB 4.35Å; F437-V575 HydrophobicContact CE2-CB 4.06Å; F437-V575 HydrophobicContact CE2-CG2 3.55Å; F437-V575 HydrophobicContact CG-CG2 3.93Å; F437-V575 HydrophobicContact CZ-CB 4.1Å; F437-V575 HydrophobicContact CZ-CG2 4.1Å; Y444-V575 CarbonylContact O-C 3.57Å; Y444-V575 VanDerWaalsContact O-CA 3.25Å; Y444-V575 WeakPolarHBondContact O-CA 3.22Å; T451-V575 HydrophobicContact CG2-CG1 3.34Å; T453-V575 WeakPolarHBondContact OG1-CG2 3.05Å; D534-V575 HydrophobicContact CB-CG2 3.96Å; D534-V575 PolarHBondContact N-O 2.93Å
576	I	91.6	Very high	82.4	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	141.5	-179.1	176.2	161.4	0	0	0	110.4	L410 Y444 V531 I532 I533 F537	L410-I576 HydrophobicContact CB-CG2 4.5Å; L410-I576 HydrophobicContact CD1-CD1 3.57Å; L410-I576 HydrophobicContact CD1-CG1 4.29Å; L410-I576 HydrophobicContact CD2-CD1 4.34Å; L410-I576 HydrophobicContact CD2-CG2 3.75Å; L410-I576 HydrophobicContact CG-CD1 4.46Å; Y444-I576 PolarHBondContact O-N 3.36Å; V531-I576 HydrophobicContact CG1-CD1 3.59Å; V531-I576 HydrophobicContact CG1-CG1 3.61Å; I532-I576 CarbonylContact O-C 3.55Å; I532-I576 VanDerWaalsContact O-CA 3.29Å; I532-I576 WeakPolarHBondContact O-CA 3.31Å; I533-I576 HydrophobicContact CG2-CB 4.34Å; I533-I576 HydrophobicContact CG2-CD1 3.65Å; I533-I576 HydrophobicContact CG2-CG1 3.85Å; F537-I576 HydrophobicContact CD1-CD1 3.92Å; F537-I576 HydrophobicContact CD2-CB 4.13Å; F537-I576 HydrophobicContact CD2-CG2 4.02Å; F537-I576 HydrophobicContact CE1-CB 4.46Å; F537-I576 HydrophobicContact CE1-CD1 3.29Å; F537-I576 HydrophobicContact CE1-CG1 4.44Å; F537-I576 HydrophobicContact CE2-CB 3.95Å; F537-I576 HydrophobicContact CE2-CD1 4.13Å; F537-I576 HydrophobicContact CE2-CG2 3.47Å; F537-I576 VanDerWaalsContact CE2-CG2 3.47Å; F537-I576 HydrophobicContact CG-CB 4.45Å; F537-I576 HydrophobicContact CZ-CB 4.11Å; F537-I576 HydrophobicContact CZ-CD1 3.39Å; F537-I576 HydrophobicContact CZ-CG1 4.34Å; F537-I576 HydrophobicContact CZ-CG2 3.8Å
577	M	89.6	Confident	82.1	Confident	18 Å²	18	14.2 Å²	14.2	9%	0.089	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.4	170.9	-166.3	70	161.2	0	0	110.4	A411 Y412 V433 F437 Y444 V531 I532 Y579	A411-M577 HydrophobicContact CB-SD 3.46Å; A411-M577 WeakPolarHBondContact CB-SD 3.18Å; A411-M577 WeakPolarHBondContact O-CA 3.24Å; Y412-M577 PolarHBondContact N-SD 3.47Å; Y412-M577 WeakPolarHBondContact O-CE 3.11Å; V433-M577 HydrophobicContact CG1-CB 3.7Å; V433-M577 HydrophobicContact CG1-CG 3.91Å; V433-M577 HydrophobicContact CG2-CG 4.27Å; F437-M577 HydrophobicContact CE1-CB 4.37Å; F437-M577 HydrophobicContact CZ-CB 3.94Å; Y444-M577 HydrophobicContact CD1-SD 3.93Å; Y444-M577 HydrophobicContact CE1-CE 4.25Å; Y444-M577 HydrophobicContact CE1-SD 4.01Å; V531-M577 WeakPolarHBondContact CA-O 3.26Å; I532-M577 PolarHBondContact N-O 3.12Å; I532-M577 PolarHBondContact O-N 3.01Å; M577-Y579 HydrophobicContact CB-CE2 4.43Å; M577-Y579 HydrophobicContact CG-CE2 4.3Å
578	A	88.4	Confident	81.9	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	141.7	175.3	0	0	0	0	0	111.6	I405 A411 Y412 Y413 V531 I580	I405-A578 HydrophobicContact CD1-CB 4.28Å; I405-A578 HydrophobicContact CG1-CB 4.25Å; A411-A578 PolarHBondContact O-N 3.22Å; Y412-A578 CarbonylContact C-O 3.51Å; Y412-A578 WeakPolarHBondContact CA-O 3.48Å; Y413-A578 PolarHBondContact N-O 3.22Å; V531-A578 HydrophobicContact CG2-CB 4.35Å; A578-I580 HydrophobicContact CB-CD1 4.25Å; A578-I580 HydrophobicContact CB-CG1 4.15Å
579	Y	86.7	Confident	81.8	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	103.5	179	-67.2	-97.8	0	0	0	109.6	Y413 Q429 M430 V433 A529 G530 I532 M577	Y413-Y579 AromaticContact CD1-CD1 3.81Å; Y413-Y579 HydrophobicContact CD1-CD1 3.81Å; Y413-Y579 HydrophobicContact CD1-CE1 4Å; Y413-Y579 HydrophobicContact CG-CD1 4.21Å; Y413-Y579 HydrophobicContact CG-CE1 4.14Å; Y413-Y579 WeakPolarHBondContact O-CA 3.48Å; Q429-Y579 HydrophobicContact CB-CE1 4.09Å; Q429-Y579 PolarHBondContact O-OH 3.42Å; M430-Y579 VanDerWaalsContact CA-OH 3.27Å; M430-Y579 WeakPolarHBondContact CA-OH 3.25Å; M430-Y579 HydrophobicContact CB-CE1 4.44Å; M430-Y579 HydrophobicContact CE-CD1 4.39Å; M430-Y579 HydrophobicContact CE-CD2 3.77Å; M430-Y579 HydrophobicContact CE-CE2 4.31Å; M430-Y579 HydrophobicContact CE-CG 3.85Å; M430-Y579 HydrophobicContact CG-CD1 4.03Å; M430-Y579 HydrophobicContact CG-CD2 4.11Å; M430-Y579 HydrophobicContact CG-CE1 3.66Å; M430-Y579 HydrophobicContact CG-CE2 3.77Å; M430-Y579 HydrophobicContact CG-CG 4.26Å; V433-Y579 WeakPolarHBondContact CB-OH 3.49Å; V433-Y579 VanDerWaalsContact CG2-OH 3.25Å; V433-Y579 WeakPolarHBondContact CG2-OH 3.35Å; A529-Y579 PolarHBondContact N-O 3.39Å; G530-Y579 WeakPolarHBondContact O-CD2 3.12Å; G530-Y579 PolarHBondContact O-N 3.36Å; I532-Y579 HydrophobicContact CD1-CE2 3.9Å; I532-Y579 WeakPolarHBondContact CD1-OH 3.4Å; I532-Y579 HydrophobicContact CG1-CE2 3.8Å; M577-Y579 HydrophobicContact CB-CE2 4.43Å; M577-Y579 HydrophobicContact CG-CE2 4.3Å
580	I	78.8	Confident	81.8	Confident	11 Å²	11	15.4 Å²	15.4	6%	0.056	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.8	-168	-51.9	178.1	0	0	0	110.1	I405 Y412 Y413 R414 F415 F524 A578	I405-I580 HydrophobicContact CG2-CD1 4.07Å; Y412-I580 HydrophobicContact CG-CD1 4.15Å; Y413-I580 PolarHBondContact O-N 3.19Å; R414-I580 VanDerWaalsContact CA-O 3.28Å; R414-I580 WeakPolarHBondContact CA-O 3.46Å; F415-I580 PolarHBondContact N-O 3.33Å; F524-I580 HydrophobicContact CE2-CG2 3.89Å; F524-I580 HydrophobicContact CZ-CD1 4.41Å; F524-I580 HydrophobicContact CZ-CG2 3.62Å; A578-I580 HydrophobicContact CB-CD1 4.25Å; A578-I580 HydrophobicContact CB-CG1 4.15Å
581	I	68.1	Low	81.5	Confident	12 Å²	12	16.6 Å²	16.6	6%	0.062	11%	0.105	C	C	.	.			trans	-88.8	131.4	172.5	-57.6	172.3	0	0	0	108.6	F415 E417 Y466 K527 D583	F415-I581 HydrophobicContact CE1-CG1 4.35Å; F415-I581 HydrophobicContact CE2-CG1 4.01Å; F415-I581 HydrophobicContact CZ-CD1 4.39Å; F415-I581 HydrophobicContact CZ-CG1 3.75Å; E417-I581 HydrophobicContact CB-CD1 4.08Å; E417-I581 HydrophobicContact CB-CG1 4.38Å; E417-I581 HydrophobicContact CB-CG2 3.55Å; E417-I581 HydrophobicContact CG-CD1 4.14Å; E417-I581 HydrophobicContact CG-CG2 4.5Å; Y466-I581 WeakPolarHBondContact OH-CD1 3.41Å; K527-I581 HydrophobicContact CB-CD1 4.19Å; I581-D583 PolarHBondContact O-N 3.31Å
582	P	59.7	Low	81.3	Confident	38 Å²	38	16.7 Å²	16.7	25%	0.247	11%	0.105	C	C	.	.			trans	-66.1	129.7	176.9	27.9	-32.5	0	0	0	110.8	F415 R624	F415-P582 WeakPolarHBondContact O-CD 3.41Å; P582-R624 HydrophobicContact CB-CB 4.48Å
583	D	59.4	Low	81.1	Confident	37 Å²	37	21.1 Å²	21.1	20%	0.198	12%	0.123	C	C	.	.			trans	-120.5	-13.3	-172.6	60.2	-25.3	0	0	0	113.7	I581 T626 S653	I581-D583 PolarHBondContact O-N 3.31Å; D583-T626 VanDerWaalsContact OD1-CA 3.28Å; D583-T626 WeakPolarHBondContact OD1-CA 3.1Å; D583-T626 PolarHBondContact OD1-OG1 3.32Å; D583-S653 PolarHBondContact O-OG 3.49Å
584	S	61.4	Low	80.8	Confident	4 Å²	4	21.1 Å²	21.1	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.7	178.5	67.2	0	0	0	0	115	C625 T626 Y627 Q651	S584-C625 PolarHBondContact N-O 3.37Å; S584-C625 VanDerWaalsContact N-O 3.08Å; S584-C625 PolarHBondContact O-N 2.96Å; S584-C625 VanDerWaalsContact O-O 3.12Å; S584-C625 PolarHBondContact OG-O 3.42Å; S584-T626 WeakPolarHBondContact OG-CA 3.24Å; S584-T626 PolarHBondContact OG-N 3.13Å; S584-Y627 PolarHBondContact OG-N 3.38Å; S584-Q651 WeakPolarHBondContact CA-O 3.42Å; S584-Q651 WeakPolarHBondContact CB-O 3.33Å
585	I	67.5	Low	80.5	Confident	47 Å²	47	22.7 Å²	22.7	24%	0.241	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.9	171.1	-59	175.7	0	0	0	107.7	Y587 Y622 N623 F650 Q651 W659	I585-Y587 HydrophobicContact CG2-CE1 4.04Å; I585-Y587 HydrophobicContact CG2-CE2 4.28Å; I585-Y622 CarbonylContact C-O 3.47Å; I585-Y622 WeakPolarHBondContact CA-O 3.36Å; I585-N623 HydrophobicContact CG1-CB 4.43Å; I585-F650 CarbonylContact O-C 3.5Å; I585-F650 WeakPolarHBondContact O-CA 3.48Å; I585-Q651 PolarHBondContact O-N 3.36Å; I585-W659 HydrophobicContact CB-CH2 4.37Å; I585-W659 HydrophobicContact CG2-CH2 4.12Å
586	I	77.1	Confident	80.1	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.6	176	-57.9	-176.9	0	0	0	109.6	I588 Y622 C625 V633 I635 M648 F650	I586-I588 HydrophobicContact CG2-CD1 4.16Å; I586-Y622 PolarHBondContact N-O 3.47Å; I586-Y622 PolarHBondContact O-N 3.01Å; I586-C625 HydrophobicContact CB-CB 4.39Å; I586-C625 HydrophobicContact CD1-CB 3.29Å; I586-C625 HydrophobicContact CG1-CB 3.61Å; I586-V633 HydrophobicContact CD1-CB 4.39Å; I586-V633 HydrophobicContact CD1-CG1 3.59Å; I586-V633 HydrophobicContact CD1-CG2 4.13Å; I586-I635 HydrophobicContact CG2-CD1 4.38Å; I586-M648 HydrophobicContact CD1-CE 4.36Å; I586-M648 HydrophobicContact CG2-CE 3.91Å; I586-F650 HydrophobicContact CB-CB 4.43Å; I586-F650 HydrophobicContact CG1-CB 3.79Å
587	Y	83.9	Confident	79.7	Confident	33 Å²	33	35 Å²	35	13%	0.129	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	166.7	-59	-55.4	0	0	0	109.6	I585 L615 R618 K620 T621 M648 M649 W659	I585-Y587 HydrophobicContact CG2-CE1 4.04Å; I585-Y587 HydrophobicContact CG2-CE2 4.28Å; Y587-L615 HydrophobicContact CD2-CD2 3.97Å; Y587-L615 HydrophobicContact CE2-CD2 3.73Å; Y587-R618 HydrophobicContact CD1-CG 4.2Å; Y587-R618 HydrophobicContact CG-CG 4.43Å; Y587-K620 WeakPolarHBondContact CA-O 3.27Å; Y587-T621 HydrophobicContact CD1-CG2 3.82Å; Y587-T621 WeakPolarHBondContact CD1-OG1 3.13Å; Y587-T621 HydrophobicContact CE1-CG2 3.43Å; Y587-T621 VanDerWaalsContact CE1-CG2 3.43Å; Y587-T621 WeakPolarHBondContact CE1-OG1 3.32Å; Y587-M648 WeakPolarHBondContact O-CA 3.4Å; Y587-M649 HydrophobicContact CD2-CE 4.38Å; Y587-M649 HydrophobicContact CD2-CG 3.75Å; Y587-M649 HydrophobicContact CD2-SD 3.82Å; Y587-M649 HydrophobicContact CG-CG 4.22Å; Y587-M649 PolarHBondContact N-O 2.91Å; Y587-M649 PolarHBondContact O-N 3.03Å; Y587-W659 AromaticContact CD2-CH2 3.49Å; Y587-W659 HydrophobicContact CD2-CH2 3.49Å; Y587-W659 VanDerWaalsContact CD2-CH2 3.49Å; Y587-W659 HydrophobicContact CD2-CZ2 4.41Å; Y587-W659 AromaticContact CD2-CZ3 3.53Å; Y587-W659 HydrophobicContact CD2-CZ3 3.53Å; Y587-W659 AromaticContact CE2-CH2 3.03Å; Y587-W659 HydrophobicContact CE2-CH2 3.03Å; Y587-W659 AromaticContact CE2-CZ2 3.69Å; Y587-W659 HydrophobicContact CE2-CZ2 3.69Å; Y587-W659 AromaticContact CE2-CZ3 3.62Å; Y587-W659 HydrophobicContact CE2-CZ3 3.62Å; Y587-W659 AromaticContact CZ-CH2 3.94Å
588	I	86.2	Confident	79.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.3	173.7	-63.4	-63	0	0	0	108.6	I586 I619 K620 Y622 I635 I642 A645 M648 I664	I586-I588 HydrophobicContact CG2-CD1 4.16Å; I588-I619 PolarHBondContact O-N 3.19Å; I588-K620 HydrophobicContact CB-CB 4.32Å; I588-K620 PolarHBondContact N-O 3.25Å; I588-K620 PolarHBondContact O-N 3.35Å; I588-Y622 HydrophobicContact CG1-CD2 4.1Å; I588-Y622 HydrophobicContact CG1-CE2 3.76Å; I588-I635 HydrophobicContact CD1-CD1 3.75Å; I588-I635 HydrophobicContact CG1-CD1 4.11Å; I588-I642 HydrophobicContact CG2-CG2 4.07Å; I588-A645 HydrophobicContact CG2-CB 3.28Å; I588-M648 HydrophobicContact CD1-CB 3.97Å; I588-I664 HydrophobicContact CD1-CD1 4.25Å; I588-I664 HydrophobicContact CG2-CD1 4.43Å
589	L	88.9	Confident	78.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145	-169	-55.1	147.5	0	0	0	110.6	V592 M614 H617 R618 A645 N646 Y647 M649	L589-V592 HydrophobicContact CB-CG2 3.94Å; L589-M614 HydrophobicContact CD2-CB 4.36Å; L589-M614 WeakPolarHBondContact CD2-O 3.35Å; L589-H617 CarbonylContact C-O 3.59Å; L589-H617 VanDerWaalsContact CA-O 3.25Å; L589-H617 WeakPolarHBondContact CA-O 3.44Å; L589-H617 HydrophobicContact CB-CB 4.42Å; L589-H617 HydrophobicContact CD2-CB 4.08Å; L589-R618 HydrophobicContact CD2-CB 4.2Å; L589-A645 VanDerWaalsContact O-CA 3.32Å; L589-A645 WeakPolarHBondContact O-CA 3.28Å; L589-N646 PolarHBondContact O-N 3.44Å; L589-N646 VanDerWaalsContact O-N 3.09Å; L589-Y647 WeakPolarHBondContact CA-O 3.28Å; L589-Y647 WeakPolarHBondContact CB-O 3.4Å; L589-Y647 HydrophobicContact CD1-CD1 3.72Å; L589-Y647 PolarHBondContact N-O 3.07Å; L589-Y647 PolarHBondContact O-N 3.45Å; L589-Y647 VanDerWaalsContact O-O 3.06Å; L589-M649 HydrophobicContact CD1-CB 4.07Å; L589-M649 HydrophobicContact CD1-CG 3.92Å; L589-M649 HydrophobicContact CD1-SD 4.25Å; L589-M649 HydrophobicContact CD2-SD 4.46Å
590	S	88	Confident	78.6	Confident	40 Å²	40	49.5 Å²	49.5	28%	0.28	25%	0.253	S	S	.	.	S	Bend	trans	-130.4	141.2	172.5	162.4	0	0	0	0	110.4	H617 S644 N646	S590-H617 PolarHBondContact N-O 2.88Å; S590-H617 PolarHBondContact O-CD2 3.3Å; S590-S644 WeakPolarHBondContact CB-O 3.28Å; S590-S644 PolarHBondContact OG-O 2.91Å; S590-N646 WeakPolarHBondContact CA-OD1 3.37Å
591	G	85.4	Confident	78.8	Confident	43 Å²	43	51.6 Å²	51.6	44%	0.443	26%	0.263	S	S	.	.			trans	85.5	16.5	176.6	0	0	0	0	0	114.2	E593 H617 N646	G591-E593 PolarHBondContact O-N 3.22Å; G591-H617 VanDerWaalsContact C-CD2 3.46Å; G591-H617 PolarHBondContact O-CD2 2.98Å; G591-H617 VanDerWaalsContact O-CD2 3.25Å; G591-H617 PolarHBondContact O-NE2 2.89Å; G591-N646 PolarHBondContact N-OD1 2.9Å
592	V	88	Confident	79.5	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.024	27%	0.273	C	S	.	.			trans	-70.7	126.1	172.4	179.4	0	0	0	0	109	L589 C594 Y613 M614 H617 N646 Y647	L589-V592 HydrophobicContact CB-CG2 3.94Å; V592-C594 HydrophobicContact CG1-CB 4.13Å; V592-C594 PolarHBondContact O-N 2.88Å; V592-Y613 HydrophobicContact CG1-CE1 4.4Å; V592-M614 HydrophobicContact CG1-CE 4.3Å; V592-M614 HydrophobicContact CG1-SD 4.12Å; V592-M614 HydrophobicContact CG2-SD 4.18Å; V592-H617 HydrophobicContact CG2-CB 3.99Å; V592-N646 PolarHBondContact N-OD1 3.42Å; V592-N646 PolarHBondContact O-ND2 2.76Å; V592-Y647 HydrophobicContact CB-CD1 4.3Å; V592-Y647 HydrophobicContact CB-CD2 4.49Å; V592-Y647 HydrophobicContact CB-CG 3.99Å; V592-Y647 HydrophobicContact CG1-CD1 3.98Å; V592-Y647 HydrophobicContact CG1-CD2 4.18Å; V592-Y647 HydrophobicContact CG1-CE1 4.25Å; V592-Y647 HydrophobicContact CG1-CE2 4.46Å; V592-Y647 HydrophobicContact CG1-CG 3.93Å; V592-Y647 HydrophobicContact CG2-CD1 4.05Å; V592-Y647 HydrophobicContact CG2-CG 4.07Å
593	E	84.6	Confident	80.7	Confident	132 Å²	132	59.5 Å²	59.5	62%	0.617	29%	0.289	S	S	*	.			trans	-77.8	2.7	-173	-63	169.1	155.5	0	0	114.4	G591 H600 K602	G591-E593 PolarHBondContact O-N 3.22Å; E593-H600 WeakPolarHBondContact O-CB 3.48Å; E593-K602 IonicContact OE2-NZ 2.84Å; E593-K602 PolarHBondContact OE2-NZ 2.91Å
594	C	84.3	Confident	82	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.081	28%	0.283	C	S	.	.			trans	-82	142.7	-179.3	-60.4	0	0	0	0	111	V592 H600 Y647 F663	V592-C594 HydrophobicContact CG1-CB 4.13Å; V592-C594 PolarHBondContact O-N 2.88Å; C594-H600 WeakPolarHBondContact CA-O 3.48Å; C594-Y647 HydrophobicContact CB-CE2 4.38Å; C594-F663 HydrophobicContact CB-CE1 3.91Å; C594-F663 HydrophobicContact CB-CZ 4.38Å
595	D	82.7	Confident	83.1	Confident	38 Å²	38	65.5 Å²	65.5	20%	0.203	32%	0.32	C	S	.	.			trans	-117.4	154	177	66.5	-0.5	0	0	0	113.3	D597 Y598 N599 H600 F663	D595-D597 PolarHBondContact O-N 3.44Å; D595-Y598 PolarHBondContact O-N 2.86Å; D595-Y598 WeakPolarHBondContact OD1-CA 3.41Å; D595-Y598 PolarHBondContact OD1-N 2.96Å; D595-Y598 VanDerWaalsContact OD1-N 3.15Å; D595-N599 PolarHBondContact OD1-N 3.1Å; D595-N599 WeakPolarHBondContact OD2-CB 3.44Å; D595-H600 PolarHBondContact OD1-N 2.91Å; D595-H600 IonicContact OD2-CE1 3.68Å; D595-H600 IonicContact OD2-CG 3.54Å; D595-H600 IonicContact OD2-ND1 3.59Å; D595-H600 PolarHBondContact OD2-ND1 3Å; D595-F663 VanDerWaalsContact C-CZ 3.5Å; D595-F663 WeakPolarHBondContact O-CE1 3.17Å; D595-F663 WeakPolarHBondContact O-CZ 3.28Å
596	R	82.2	Confident	84	Confident	154 Å²	154	65.8 Å²	65.8	58%	0.581	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.4	-179.2	-171.5	-175.3	65.4	179.2	-3	112.9	Y598 F663	R596-Y598 WeakPolarHBondContact O-CD2 3.46Å; R596-Y598 PolarHBondContact O-N 3.21Å; R596-F663 HydrophobicContact CB-CD2 4.33Å; R596-F663 HydrophobicContact CB-CG 4.35Å; R596-F663 HydrophobicContact CG-CD2 4.4Å
597	D	82.9	Confident	84.4	Confident	108 Å²	108	70.5 Å²	70.5	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.8	-179.2	-60.4	-22.5	0	0	0	112.4	D595 N599	D595-D597 PolarHBondContact O-N 3.44Å; D597-N599 WeakPolarHBondContact CB-ND2 3.43Å; D597-N599 PolarHBondContact O-N 3.11Å; D597-N599 VanDerWaalsContact O-N 3.17Å
598	Y	81.1	Confident	84.3	Confident	83 Å²	83	71.9 Å²	71.9	33%	0.325	36%	0.362	S	S	.	.	S	Bend	trans	55.7	26.4	-178.7	-61.4	-79.5	0	0	0	114.1	D595 R596 I601 L683 W684	D595-Y598 PolarHBondContact O-N 2.86Å; D595-Y598 WeakPolarHBondContact OD1-CA 3.41Å; D595-Y598 PolarHBondContact OD1-N 2.96Å; D595-Y598 VanDerWaalsContact OD1-N 3.15Å; R596-Y598 WeakPolarHBondContact O-CD2 3.46Å; R596-Y598 PolarHBondContact O-N 3.21Å; Y598-I601 HydrophobicContact CD1-CD1 4.28Å; Y598-I601 HydrophobicContact CD1-CG1 4.31Å; Y598-I601 WeakPolarHBondContact O-CG1 3.35Å; Y598-L683 WeakPolarHBondContact OH-CB 3.41Å; Y598-L683 PolarHBondContact OH-N 2.84Å; Y598-W684 HydrophobicContact CD1-CB 4.05Å; Y598-W684 HydrophobicContact CE1-CB 3.69Å
599	N	79.9	Confident	84.4	Confident	119 Å²	119	76 Å²	76	64%	0.636	38%	0.382	S	S	*	.	S	Bend	trans	-79.5	-26.1	172.6	-60.7	-56.7	0	0	0	111.5	D595 D597	D595-N599 PolarHBondContact OD1-N 3.1Å; D595-N599 WeakPolarHBondContact OD2-CB 3.44Å; D597-N599 WeakPolarHBondContact CB-ND2 3.43Å; D597-N599 PolarHBondContact O-N 3.11Å; D597-N599 VanDerWaalsContact O-N 3.17Å
600	H	81.5	Confident	84.4	Confident	123 Å²	123	76.1 Å²	76.1	57%	0.569	38%	0.382	S	S	*	.	S	Bend	trans	-119.9	73	-179.3	-59.9	93.7	0	0	0	110.8	E593 C594 D595	E593-H600 WeakPolarHBondContact O-CB 3.48Å; C594-H600 WeakPolarHBondContact CA-O 3.48Å; D595-H600 PolarHBondContact OD1-N 2.91Å; D595-H600 IonicContact OD2-CE1 3.68Å; D595-H600 IonicContact OD2-CG 3.54Å; D595-H600 IonicContact OD2-ND1 3.59Å; D595-H600 PolarHBondContact OD2-ND1 3Å
601	I	82.1	Confident	84.2	Confident	54 Å²	54	77.6 Å²	77.6	28%	0.277	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-87.6	126.4	177.3	-54.7	178	0	0	0	110.3	Y598 W684	Y598-I601 HydrophobicContact CD1-CD1 4.28Å; Y598-I601 HydrophobicContact CD1-CG1 4.31Å; Y598-I601 WeakPolarHBondContact O-CG1 3.35Å; I601-W684 HydrophobicContact CD1-CD2 4.18Å; I601-W684 HydrophobicContact CD1-CE3 4.44Å; I601-W684 HydrophobicContact CD1-CG 4.4Å; I601-W684 HydrophobicContact CG2-CD2 4.16Å; I601-W684 HydrophobicContact CG2-CG 3.81Å; I601-W684 VanDerWaalsContact CG2-NE1 3.25Å
602	K	83.6	Confident	84.3	Confident	60 Å²	60	78.8 Å²	78.8	26%	0.261	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-91.4	130.3	171.9	-160.1	162.1	-164.9	148	0	111.3	E593 F604 Y613 Q685	E593-K602 IonicContact OE2-NZ 2.84Å; E593-K602 PolarHBondContact OE2-NZ 2.91Å; K602-F604 HydrophobicContact CB-CE2 4.07Å; K602-F604 HydrophobicContact CB-CZ 4.13Å; K602-F604 HydrophobicContact CD-CE1 4.19Å; K602-F604 HydrophobicContact CD-CZ 3.79Å; K602-F604 HydrophobicContact CG-CE1 4.22Å; K602-F604 HydrophobicContact CG-CE2 4.19Å; K602-F604 HydrophobicContact CG-CZ 3.83Å; K602-Y613 HydrophobicContact CD-CD1 4.41Å; K602-Y613 HydrophobicContact CD-CE1 3.92Å; K602-Y613 HydrophobicContact CD-CE2 4.16Å; K602-Y613 VanDerWaalsContact NZ-CZ 3.3Å; K602-Y613 PolarHBondContact NZ-OH 2.97Å; K602-Q685 PolarHBondContact O-NE2 3.01Å
603	W	84.4	Confident	84.4	Confident	156 Å²	156	80.2 Å²	80.2	59%	0.591	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-94.5	133.9	178.2	-64.9	82.9	0	0	0	110.4	W684 W688	W603-W684 HydrophobicContact CH2-CH2 4.09Å; W603-W684 AromaticContact CH2-CZ2 3.44Å; W603-W684 HydrophobicContact CH2-CZ2 3.44Å; W603-W684 VanDerWaalsContact CH2-CZ2 3.44Å; W603-W684 AromaticContact CZ2-CZ2 3.86Å; W603-W684 HydrophobicContact CZ2-CZ2 3.86Å; W603-W684 AromaticContact CZ3-CZ2 3.84Å; W603-W684 HydrophobicContact CZ3-CZ2 3.84Å; W603-W688 HydrophobicContact CE3-CZ2 4.47Å; W603-W688 HydrophobicContact CH2-CH2 4.4Å; W603-W688 HydrophobicContact CH2-CZ2 4.17Å; W603-W688 HydrophobicContact CZ3-CD2 4.47Å; W603-W688 AromaticContact CZ3-CE2 3.64Å; W603-W688 HydrophobicContact CZ3-CH2 4.15Å; W603-W688 AromaticContact CZ3-CZ2 3.48Å; W603-W688 HydrophobicContact CZ3-CZ2 3.48Å; W603-W688 VanDerWaalsContact CZ3-CZ2 3.48Å; W603-W688 AromaticContact CZ3-NE1 3.84Å
604	F	87.2	Confident	84.6	Confident	17 Å²	17	73.9 Å²	73.9	8%	0.075	36%	0.362	C	S	.	.			trans	-123.6	138.1	177.5	-62.1	-75	0	0	0	109.5	K602 E609 Q610 Y613 M614 Q685 M689	K602-F604 HydrophobicContact CB-CE2 4.07Å; K602-F604 HydrophobicContact CB-CZ 4.13Å; K602-F604 HydrophobicContact CD-CE1 4.19Å; K602-F604 HydrophobicContact CD-CZ 3.79Å; K602-F604 HydrophobicContact CG-CE1 4.22Å; K602-F604 HydrophobicContact CG-CE2 4.19Å; K602-F604 HydrophobicContact CG-CZ 3.83Å; F604-E609 HydrophobicContact CD1-CG 4.16Å; F604-Q610 HydrophobicContact CB-CB 3.98Å; F604-Q610 HydrophobicContact CD1-CB 4.06Å; F604-Q610 HydrophobicContact CD2-CB 3.81Å; F604-Q610 HydrophobicContact CD2-CG 3.68Å; F604-Q610 HydrophobicContact CE2-CB 4.29Å; F604-Q610 HydrophobicContact CE2-CG 3.84Å; F604-Q610 HydrophobicContact CG-CB 3.67Å; F604-Q610 HydrophobicContact CG-CG 4.1Å; F604-Q610 HydrophobicContact CZ-CG 4.38Å; F604-Y613 AromaticContact CE1-CD1 3.92Å; F604-Y613 HydrophobicContact CE1-CD1 3.92Å; F604-Y613 AromaticContact CE1-CG 3.84Å; F604-Y613 HydrophobicContact CE1-CG 3.84Å; F604-Y613 AromaticContact CZ-CD1 3.52Å; F604-Y613 HydrophobicContact CZ-CD1 3.52Å; F604-Y613 HydrophobicContact CZ-CE1 4.15Å; F604-Y613 AromaticContact CZ-CG 3.95Å; F604-Y613 HydrophobicContact CZ-CG 3.95Å; F604-M614 HydrophobicContact CE2-CE 4.45Å; F604-Q685 VanDerWaalsContact CD2-OE1 3.26Å; F604-M689 HydrophobicContact CB-CE 3.49Å; F604-M689 VanDerWaalsContact CB-CE 3.49Å
605	N	83.1	Confident	84.7	Confident	150 Å²	150	75.8 Å²	75.8	80%	0.802	37%	0.371	S	S	*	.	S	Bend	trans	-85.7	-16	-178.5	-59.7	-65	0	0	0	112.6	E609	N605-E609 PolarHBondContact N-OE2 3.43Å; N605-E609 PolarHBondContact ND2-OE2 3.13Å
606	S	87.4	Confident	85	Confident	53 Å²	53	80.5 Å²	80.5	37%	0.371	40%	0.396	S	S	.	.	S	Bend	trans	-153.9	155.3	178.4	68.9	0	0	0	0	112	A608 E609 Q610 M689	S606-A608 PolarHBondContact O-N 3.12Å; S606-E609 PolarHBondContact O-N 2.61Å; S606-E609 VanDerWaalsContact O-N 3.14Å; S606-E609 PolarHBondContact OG-N 3.22Å; S606-Q610 PolarHBondContact O-N 3.36Å; S606-M689 VanDerWaalsContact C-CE 3.47Å; S606-M689 WeakPolarHBondContact O-CE 3.29Å
607	R	84.2	Confident	85.3	Confident	102 Å²	102	75.5 Å²	75.5	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-56.4	-35.2	174.7	-73.1	-176.3	-179.9	-91.1	-0.5	112.2	Q610 Q611 M689 D690	R607-Q610 PolarHBondContact O-N 3.47Å; R607-Q611 VanDerWaalsContact O-CB 3.31Å; R607-Q611 WeakPolarHBondContact O-CB 3.34Å; R607-Q611 PolarHBondContact O-N 3.43Å; R607-M689 VanDerWaalsContact CA-SD 3.58Å; R607-M689 HydrophobicContact CB-SD 4.04Å; R607-M689 HydrophobicContact CG-CB 4.49Å; R607-M689 HydrophobicContact CG-SD 3.32Å; R607-M689 WeakPolarHBondContact CG-SD 3.32Å; R607-M689 PolarHBondContact N-SD 3.2Å; R607-D690 IonicContact CZ-OD1 3.82Å; R607-D690 IonicContact CZ-OD2 3.82Å; R607-D690 IonicContact NH2-OD1 2.78Å; R607-D690 PolarHBondContact NH2-OD1 3.24Å; R607-D690 IonicContact NH2-OD2 3.85Å; R607-D690 PolarHBondContact NH2-OD2 3.31Å
608	A	82.2	Confident	85.5	Confident	62 Å²	62	75.7 Å²	75.7	51%	0.512	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-37.7	179.5	0	0	0	0	0	112.6	S606 S612	S606-A608 PolarHBondContact O-N 3.12Å; A608-S612 VanDerWaalsContact O-CB 3.29Å; A608-S612 WeakPolarHBondContact O-CB 3.38Å; A608-S612 PolarHBondContact O-N 3.26Å; A608-S612 PolarHBondContact O-OG 2.67Å
609	E	88.8	Confident	85.6	Confident	86 Å²	86	75 Å²	75	40%	0.402	37%	0.373	S	S	.	.	H	α-helix	trans	-68.3	-45.3	176.1	-170.4	-177.2	-173.6	0	0	111.1	F604 N605 S606 S612 Y613	F604-E609 HydrophobicContact CD1-CG 4.16Å; N605-E609 PolarHBondContact N-OE2 3.43Å; N605-E609 PolarHBondContact ND2-OE2 3.13Å; S606-E609 PolarHBondContact O-N 2.61Å; S606-E609 VanDerWaalsContact O-N 3.14Å; S606-E609 PolarHBondContact OG-N 3.22Å; E609-S612 PolarHBondContact O-N 3Å; E609-Y613 WeakPolarHBondContact O-CB 3.24Å; E609-Y613 PolarHBondContact O-N 3.05Å
610	Q	88.9	Confident	85.7	Confident	3 Å²	3	72.6 Å²	72.6	1%	0.014	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-51	174.4	-175.6	-172.9	48	0	0	111.1	F604 S606 R607 S612 Y613 M614 Y661 Q685 M689	F604-Q610 HydrophobicContact CB-CB 3.98Å; F604-Q610 HydrophobicContact CD1-CB 4.06Å; F604-Q610 HydrophobicContact CD2-CB 3.81Å; F604-Q610 HydrophobicContact CD2-CG 3.68Å; F604-Q610 HydrophobicContact CE2-CB 4.29Å; F604-Q610 HydrophobicContact CE2-CG 3.84Å; F604-Q610 HydrophobicContact CG-CB 3.67Å; F604-Q610 HydrophobicContact CG-CG 4.1Å; F604-Q610 HydrophobicContact CZ-CG 4.38Å; S606-Q610 PolarHBondContact O-N 3.36Å; R607-Q610 PolarHBondContact O-N 3.47Å; Q610-S612 PolarHBondContact O-N 2.98Å; Q610-Y613 PolarHBondContact O-N 2.91Å; Q610-M614 VanDerWaalsContact O-CG 3.29Å; Q610-M614 WeakPolarHBondContact O-CG 3.49Å; Q610-M614 PolarHBondContact O-N 3.49Å; Q610-Y661 VanDerWaalsContact CD-CE2 3.44Å; Q610-Y661 VanDerWaalsContact CD-OH 3.3Å; Q610-Y661 HydrophobicContact CG-CE2 4.31Å; Q610-Y661 VanDerWaalsContact OE1-CE2 3.32Å; Q610-Y661 PolarHBondContact OE1-OH 3.27Å; Q610-Q685 PolarHBondContact NE2-O 3.2Å; Q610-M689 HydrophobicContact CB-CE 4.04Å
611	Q	84.5	Confident	85.7	Confident	71 Å²	71	69.6 Å²	69.6	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-41.8	-179.8	-170.7	-179.1	1.8	0	0	111.7	R607 M614 L615	R607-Q611 VanDerWaalsContact O-CB 3.31Å; R607-Q611 WeakPolarHBondContact O-CB 3.34Å; R607-Q611 PolarHBondContact O-N 3.43Å; Q611-M614 PolarHBondContact O-N 2.93Å; Q611-L615 HydrophobicContact CG-CD1 3.86Å; Q611-L615 HydrophobicContact CG-CG 4.28Å; Q611-L615 WeakPolarHBondContact O-CB 3.35Å; Q611-L615 VanDerWaalsContact O-CG 3.25Å; Q611-L615 WeakPolarHBondContact O-CG 3.5Å; Q611-L615 PolarHBondContact O-N 2.92Å
612	S	86.7	Confident	85.3	Confident	67 Å²	67	68.6 Å²	68.6	47%	0.469	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-41	177.3	-61.7	0	0	0	0	112.1	A608 E609 Q610 N616	A608-S612 VanDerWaalsContact O-CB 3.29Å; A608-S612 WeakPolarHBondContact O-CB 3.38Å; A608-S612 PolarHBondContact O-N 3.26Å; A608-S612 PolarHBondContact O-OG 2.67Å; E609-S612 PolarHBondContact O-N 3Å; Q610-S612 PolarHBondContact O-N 2.98Å; S612-N616 VanDerWaalsContact O-CG 3.26Å; S612-N616 PolarHBondContact O-N 3.48Å; S612-N616 PolarHBondContact O-ND2 3.19Å
613	Y	90.4	Very high	84.4	Confident	34 Å²	34	70.1 Å²	70.1	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.5	174.4	-99.4	0	0	0	111.8	V592 K602 F604 E609 Q610 N616 H617	V592-Y613 HydrophobicContact CG1-CE1 4.4Å; K602-Y613 HydrophobicContact CD-CD1 4.41Å; K602-Y613 HydrophobicContact CD-CE1 3.92Å; K602-Y613 HydrophobicContact CD-CE2 4.16Å; K602-Y613 VanDerWaalsContact NZ-CZ 3.3Å; K602-Y613 PolarHBondContact NZ-OH 2.97Å; F604-Y613 AromaticContact CE1-CD1 3.92Å; F604-Y613 HydrophobicContact CE1-CD1 3.92Å; F604-Y613 AromaticContact CE1-CG 3.84Å; F604-Y613 HydrophobicContact CE1-CG 3.84Å; F604-Y613 AromaticContact CZ-CD1 3.52Å; F604-Y613 HydrophobicContact CZ-CD1 3.52Å; F604-Y613 HydrophobicContact CZ-CE1 4.15Å; F604-Y613 AromaticContact CZ-CG 3.95Å; F604-Y613 HydrophobicContact CZ-CG 3.95Å; E609-Y613 WeakPolarHBondContact O-CB 3.24Å; E609-Y613 PolarHBondContact O-N 3.05Å; Q610-Y613 PolarHBondContact O-N 2.91Å; Y613-N616 PolarHBondContact O-N 2.89Å; Y613-H617 AromaticContact CD2-CE1 3.88Å; Y613-H617 AromaticContact CE2-CE1 3.3Å; Y613-H617 WeakPolarHBondContact CE2-CE1 3.35Å; Y613-H617 AromaticContact CE2-ND1 3.97Å; Y613-H617 AromaticContact CZ-CE1 3.52Å; Y613-H617 AromaticContact CZ-ND1 3.99Å; Y613-H617 PolarHBondContact O-ND1 2.88Å
614	M	89	Confident	83.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-47.1	179.6	-62.5	-62.3	-176.1	0	0	110.9	L589 V592 F604 Q610 Q611 N616 H617 Y647 M649 Y661	L589-M614 HydrophobicContact CD2-CB 4.36Å; L589-M614 WeakPolarHBondContact CD2-O 3.35Å; V592-M614 HydrophobicContact CG1-CE 4.3Å; V592-M614 HydrophobicContact CG1-SD 4.12Å; V592-M614 HydrophobicContact CG2-SD 4.18Å; F604-M614 HydrophobicContact CE2-CE 4.45Å; Q610-M614 VanDerWaalsContact O-CG 3.29Å; Q610-M614 WeakPolarHBondContact O-CG 3.49Å; Q610-M614 PolarHBondContact O-N 3.49Å; Q611-M614 PolarHBondContact O-N 2.93Å; M614-N616 PolarHBondContact O-N 3.04Å; M614-N616 VanDerWaalsContact O-N 3.09Å; M614-H617 PolarHBondContact O-N 3.42Å; M614-Y647 HydrophobicContact CE-CE1 3.83Å; M614-Y647 HydrophobicContact SD-CD1 4.24Å; M614-Y647 HydrophobicContact SD-CE1 4.01Å; M614-M649 HydrophobicContact CB-CE 4.37Å; M614-M649 HydrophobicContact CB-SD 3.66Å; M614-Y661 HydrophobicContact CB-CE1 4.3Å; M614-Y661 HydrophobicContact CE-CD1 4.23Å; M614-Y661 HydrophobicContact CE-CE1 4.5Å; M614-Y661 HydrophobicContact CG-CD1 4.08Å; M614-Y661 HydrophobicContact CG-CE1 3.68Å
615	L	85.9	Confident	81.8	Confident	51 Å²	51	70.7 Å²	70.7	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-27.2	179.1	-72.8	173.6	0	0	0	113.9	Y587 Q611 H617 R618	Y587-L615 HydrophobicContact CD2-CD2 3.97Å; Y587-L615 HydrophobicContact CE2-CD2 3.73Å; Q611-L615 HydrophobicContact CG-CD1 3.86Å; Q611-L615 HydrophobicContact CG-CG 4.28Å; Q611-L615 WeakPolarHBondContact O-CB 3.35Å; Q611-L615 VanDerWaalsContact O-CG 3.25Å; Q611-L615 WeakPolarHBondContact O-CG 3.5Å; Q611-L615 PolarHBondContact O-N 2.92Å; L615-H617 VanDerWaalsContact C-N 3.3Å; L615-H617 PolarHBondContact O-N 3.09Å; L615-R618 VanDerWaalsContact O-CB 3.28Å; L615-R618 WeakPolarHBondContact O-CB 3.19Å; L615-R618 PolarHBondContact O-N 3.11Å
616	N	89.6	Confident	80.5	Confident	138 Å²	138	64.7 Å²	64.7	74%	0.738	32%	0.323	S	S	*	.	H	α-helix	trans	-72.1	-20	174.3	-75.2	-22.6	0	0	0	113.9	S612 Y613 M614	S612-N616 VanDerWaalsContact O-CG 3.26Å; S612-N616 PolarHBondContact O-N 3.48Å; S612-N616 PolarHBondContact O-ND2 3.19Å; Y613-N616 PolarHBondContact O-N 2.89Å; M614-N616 PolarHBondContact O-N 3.04Å; M614-N616 VanDerWaalsContact O-N 3.09Å
617	H	88.7	Confident	79.2	Confident	48 Å²	48	65.5 Å²	65.5	22%	0.222	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6.1	177.8	-69.8	79.7	0	0	0	113	L589 S590 G591 V592 Y613 M614 L615	L589-H617 CarbonylContact C-O 3.59Å; L589-H617 VanDerWaalsContact CA-O 3.25Å; L589-H617 WeakPolarHBondContact CA-O 3.44Å; L589-H617 HydrophobicContact CB-CB 4.42Å; L589-H617 HydrophobicContact CD2-CB 4.08Å; S590-H617 PolarHBondContact N-O 2.88Å; S590-H617 PolarHBondContact O-CD2 3.3Å; G591-H617 VanDerWaalsContact C-CD2 3.46Å; G591-H617 PolarHBondContact O-CD2 2.98Å; G591-H617 VanDerWaalsContact O-CD2 3.25Å; G591-H617 PolarHBondContact O-NE2 2.89Å; V592-H617 HydrophobicContact CG2-CB 3.99Å; Y613-H617 AromaticContact CD2-CE1 3.88Å; Y613-H617 AromaticContact CE2-CE1 3.3Å; Y613-H617 WeakPolarHBondContact CE2-CE1 3.35Å; Y613-H617 AromaticContact CE2-ND1 3.97Å; Y613-H617 AromaticContact CZ-CE1 3.52Å; Y613-H617 AromaticContact CZ-ND1 3.99Å; Y613-H617 PolarHBondContact O-ND1 2.88Å; M614-H617 PolarHBondContact O-N 3.42Å; L615-H617 VanDerWaalsContact C-N 3.3Å; L615-H617 PolarHBondContact O-N 3.09Å
618	R	85.4	Confident	78	Confident	112 Å²	112	62.8 Å²	62.8	42%	0.423	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125	-174.6	-177.3	-177.7	69.2	-173.8	-3.6	111.9	Y587 L589 L615 T621	Y587-R618 HydrophobicContact CD1-CG 4.2Å; Y587-R618 HydrophobicContact CG-CG 4.43Å; L589-R618 HydrophobicContact CD2-CB 4.2Å; L615-R618 VanDerWaalsContact O-CB 3.28Å; L615-R618 WeakPolarHBondContact O-CB 3.19Å; L615-R618 PolarHBondContact O-N 3.11Å; R618-T621 VanDerWaalsContact CD-OG1 3.29Å; R618-T621 WeakPolarHBondContact CD-OG1 3.4Å
619	I	84	Confident	76.8	Confident	70 Å²	70	68 Å²	68	36%	0.359	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-47.8	171.7	-51.9	166.8	0	0	0	110.6	I588	I588-I619 PolarHBondContact O-N 3.19Å
620	K	82.3	Confident	75.8	Confident	68 Å²	68	70.3 Å²	70.3	30%	0.296	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.6	-174.1	-65.2	-72.6	-172.3	159.8	0	111.3	Y587 I588 Y622 D641	Y587-K620 WeakPolarHBondContact CA-O 3.27Å; I588-K620 HydrophobicContact CB-CB 4.32Å; I588-K620 PolarHBondContact N-O 3.25Å; I588-K620 PolarHBondContact O-N 3.35Å; K620-Y622 HydrophobicContact CB-CD2 4.34Å; K620-Y622 HydrophobicContact CB-CE2 3.43Å; K620-Y622 VanDerWaalsContact CB-CE2 3.43Å; K620-Y622 HydrophobicContact CG-CE2 4.35Å; K620-D641 WeakPolarHBondContact CE-OD2 3.49Å; K620-D641 IonicContact NZ-OD2 3.6Å; K620-D641 PolarHBondContact NZ-OD2 3.03Å
621	T	80.8	Confident	75	Confident	59 Å²	59	70.9 Å²	70.9	36%	0.362	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	-178.5	-65.4	0	0	0	0	108.7	Y587 R618 N623	Y587-T621 HydrophobicContact CD1-CG2 3.82Å; Y587-T621 WeakPolarHBondContact CD1-OG1 3.13Å; Y587-T621 HydrophobicContact CE1-CG2 3.43Å; Y587-T621 VanDerWaalsContact CE1-CG2 3.43Å; Y587-T621 WeakPolarHBondContact CE1-OG1 3.32Å; R618-T621 VanDerWaalsContact CD-OG1 3.29Å; R618-T621 WeakPolarHBondContact CD-OG1 3.4Å; T621-N623 WeakPolarHBondContact CG2-OD1 3.37Å
622	Y	73.7	Confident	74.7	Confident	33 Å²	33	69 Å²	69	13%	0.129	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	95.8	177.6	-57.3	-80.7	0	0	0	108.7	I585 I586 I588 K620 R624 C625 I635 A637 I642	I585-Y622 CarbonylContact C-O 3.47Å; I585-Y622 WeakPolarHBondContact CA-O 3.36Å; I586-Y622 PolarHBondContact N-O 3.47Å; I586-Y622 PolarHBondContact O-N 3.01Å; I588-Y622 HydrophobicContact CG1-CD2 4.1Å; I588-Y622 HydrophobicContact CG1-CE2 3.76Å; K620-Y622 HydrophobicContact CB-CD2 4.34Å; K620-Y622 HydrophobicContact CB-CE2 3.43Å; K620-Y622 VanDerWaalsContact CB-CE2 3.43Å; K620-Y622 HydrophobicContact CG-CE2 4.35Å; Y622-R624 PolarHBondContact O-N 3.24Å; Y622-C625 WeakPolarHBondContact CB-SG 3.03Å; Y622-I635 HydrophobicContact CD1-CG2 3.53Å; Y622-I635 HydrophobicContact CD2-CD1 4.37Å; Y622-I635 HydrophobicContact CD2-CG2 3.68Å; Y622-I635 HydrophobicContact CE1-CG2 3.32Å; Y622-I635 HydrophobicContact CE2-CD1 4.49Å; Y622-I635 HydrophobicContact CE2-CG2 3.49Å; Y622-I635 VanDerWaalsContact CE2-CG2 3.49Å; Y622-I635 HydrophobicContact CG-CG2 3.71Å; Y622-A637 VanDerWaalsContact OH-CB 3.31Å; Y622-A637 WeakPolarHBondContact OH-CB 3.32Å; Y622-I642 HydrophobicContact CE2-CD1 4.44Å
623	N	65.7	Low	74.2	Confident	92 Å²	92	66 Å²	66	49%	0.492	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	11.5	-178.7	-61.8	-3	0	0	0	113	I585 T621	I585-N623 HydrophobicContact CG1-CB 4.43Å; T621-N623 WeakPolarHBondContact CG2-OD1 3.37Å
624	R	57.9	Low	73.5	Confident	178 Å²	178	66.6 Å²	66.6	67%	0.672	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	50	-168.3	-64.1	-177.3	178	170	-1.8	108.8	R414 P582 Y622	R414-R624 PolarHBondContact NE-O 3.5Å; R414-R624 PolarHBondContact NH1-O 3.04Å; P582-R624 HydrophobicContact CB-CB 4.48Å; Y622-R624 PolarHBondContact O-N 3.24Å
625	C	59.1	Low	72.9	Confident	7 Å²	7	66.7 Å²	66.7	5%	0.047	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	167.4	174.9	-71.6	0	0	0	0	109	S584 I586 Y622	S584-C625 PolarHBondContact N-O 3.37Å; S584-C625 VanDerWaalsContact N-O 3.08Å; S584-C625 PolarHBondContact O-N 2.96Å; S584-C625 VanDerWaalsContact O-O 3.12Å; S584-C625 PolarHBondContact OG-O 3.42Å; I586-C625 HydrophobicContact CB-CB 4.39Å; I586-C625 HydrophobicContact CD1-CB 3.29Å; I586-C625 HydrophobicContact CG1-CB 3.61Å; Y622-C625 WeakPolarHBondContact CB-SG 3.03Å
626	T	55.8	Low	72.3	Confident	25 Å²	25	71.1 Å²	71.1	15%	0.153	35%	0.345	C	S	.	.			trans	-121.8	138.9	173.6	-56.9	0	0	0	0	107.3	R414 F524 D583 S584 V628	R414-T626 PolarHBondContact NH2-OG1 3.36Å; F524-T626 HydrophobicContact CD2-CG2 4.47Å; F524-T626 HydrophobicContact CE2-CG2 3.6Å; F524-T626 HydrophobicContact CZ-CG2 3.78Å; D583-T626 VanDerWaalsContact OD1-CA 3.28Å; D583-T626 WeakPolarHBondContact OD1-CA 3.1Å; D583-T626 PolarHBondContact OD1-OG1 3.32Å; S584-T626 WeakPolarHBondContact OG-CA 3.24Å; S584-T626 PolarHBondContact OG-N 3.13Å; T626-V628 PolarHBondContact O-N 3.1Å
627	Y	59.5	Low	71.5	Confident	69 Å²	69	64.8 Å²	64.8	27%	0.271	31%	0.312	S	S	.	.			trans	-67.2	129.9	177.3	178.3	-99.7	0	0	0	109.4	S584 F650	S584-Y627 PolarHBondContact OG-N 3.38Å; Y627-F650 AromaticContact CD2-CD2 3.9Å; Y627-F650 HydrophobicContact CD2-CD2 3.9Å; Y627-F650 AromaticContact CD2-CE2 3.39Å; Y627-F650 HydrophobicContact CD2-CE2 3.39Å; Y627-F650 HydrophobicContact CD2-CZ 4.1Å; Y627-F650 HydrophobicContact CE2-CD2 4.25Å; Y627-F650 AromaticContact CE2-CE2 3.3Å; Y627-F650 HydrophobicContact CE2-CE2 3.3Å; Y627-F650 AromaticContact CE2-CZ 3.64Å; Y627-F650 HydrophobicContact CE2-CZ 3.64Å
628	V	59.2	Low	70.9	Confident	46 Å²	46	70.2 Å²	70.2	28%	0.279	33%	0.331	S	S	.	.			trans	-116.5	130.4	179.1	179.5	0	0	0	0	108.4	T626 D630 V632 Y679	T626-V628 PolarHBondContact O-N 3.1Å; V628-D630 VanDerWaalsContact C-N 3.3Å; V628-D630 PolarHBondContact O-N 2.89Å; V628-V632 WeakPolarHBondContact CB-O 3.33Å; V628-V632 VanDerWaalsContact CG1-O 3.29Å; V628-V632 WeakPolarHBondContact CG1-O 3.36Å; V628-Y679 PolarHBondContact O-OH 2.97Å
629	R	56.9	Low	70.2	Confident	170 Å²	170	65.9 Å²	65.9	64%	0.642	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-28	-168.2	-155.7	177.8	-141	176.2	9.8	114.3	G631	R629-G631 VanDerWaalsContact C-N 3.31Å; R629-G631 PolarHBondContact O-N 3.08Å
630	D	68.1	Low	69.9	Low	135 Å²	135	69 Å²	69	72%	0.722	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	16.7	-165.8	-69.7	-18.6	0	0	0	115	V628 V632	V628-D630 VanDerWaalsContact C-N 3.3Å; V628-D630 PolarHBondContact O-N 2.89Å; D630-V632 PolarHBondContact O-N 2.98Å
631	G	71.8	Confident	69.6	Low	16 Å²	16	69.2 Å²	69.2	17%	0.165	34%	0.341	C	S	.	.	S	Bend	trans	68	26	-179.5	0	0	0	0	0	112.9	R629 H678 Y679	R629-G631 VanDerWaalsContact C-N 3.31Å; R629-G631 PolarHBondContact O-N 3.08Å; G631-H678 CarbonylContact O-C 3.59Å; G631-H678 VanDerWaalsContact O-CA 3.25Å; G631-H678 WeakPolarHBondContact O-CA 3.37Å; G631-Y679 VanDerWaalsContact CA-CE1 3.49Å; G631-Y679 WeakPolarHBondContact O-CD1 3.34Å; G631-Y679 PolarHBondContact O-N 3.35Å
632	V	78.8	Confident	69.6	Low	30 Å²	30	66.5 Å²	66.5	18%	0.182	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.8	175.9	-171.4	0	0	0	0	109.2	V628 D630 E676 V677 H678	V628-V632 WeakPolarHBondContact CB-O 3.33Å; V628-V632 VanDerWaalsContact CG1-O 3.29Å; V628-V632 WeakPolarHBondContact CG1-O 3.36Å; D630-V632 PolarHBondContact O-N 2.98Å; V632-E676 HydrophobicContact CG1-CB 3.96Å; V632-E676 HydrophobicContact CG1-CG 4.34Å; V632-V677 CarbonylContact C-O 3.51Å; V632-V677 WeakPolarHBondContact CA-O 3.34Å; V632-H678 VanDerWaalsContact CG2-ND1 3.35Å; V632-H678 WeakPolarHBondContact CG2-ND1 3.37Å
633	V	76.3	Confident	69.9	Low	5 Å²	5	74 Å²	74	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.6	172.5	-176.3	0	0	0	0	110.4	I586 I635 M648 V677 Y679	I586-V633 HydrophobicContact CD1-CB 4.39Å; I586-V633 HydrophobicContact CD1-CG1 3.59Å; I586-V633 HydrophobicContact CD1-CG2 4.13Å; V633-I635 HydrophobicContact CB-CG1 4.32Å; V633-I635 HydrophobicContact CG1-CD1 4.28Å; V633-I635 HydrophobicContact CG1-CG1 3.69Å; V633-M648 HydrophobicContact CG2-CE 4.06Å; V633-V677 PolarHBondContact N-O 2.99Å; V633-V677 PolarHBondContact O-N 3.12Å; V633-Y679 HydrophobicContact CG2-CD1 4.03Å; V633-Y679 HydrophobicContact CG2-CE1 3.41Å; V633-Y679 VanDerWaalsContact CG2-CE1 3.41Å
634	A	76.1	Confident	70.7	Confident	47 Å²	47	73.2 Å²	73.2	39%	0.388	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.2	168.3	0	0	0	0	0	110.5	T674	A634-T674 HydrophobicContact CB-CG2 3.98Å
635	I	74.8	Confident	72	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.8	-176	-58.5	-177.9	0	0	0	110.1	I586 I588 Y622 V633 A637 I642 T674 A675 V677	I586-I635 HydrophobicContact CG2-CD1 4.38Å; I588-I635 HydrophobicContact CD1-CD1 3.75Å; I588-I635 HydrophobicContact CG1-CD1 4.11Å; Y622-I635 HydrophobicContact CD1-CG2 3.53Å; Y622-I635 HydrophobicContact CD2-CD1 4.37Å; Y622-I635 HydrophobicContact CD2-CG2 3.68Å; Y622-I635 HydrophobicContact CE1-CG2 3.32Å; Y622-I635 HydrophobicContact CE2-CD1 4.49Å; Y622-I635 HydrophobicContact CE2-CG2 3.49Å; Y622-I635 VanDerWaalsContact CE2-CG2 3.49Å; Y622-I635 HydrophobicContact CG-CG2 3.71Å; V633-I635 HydrophobicContact CB-CG1 4.32Å; V633-I635 HydrophobicContact CG1-CD1 4.28Å; V633-I635 HydrophobicContact CG1-CG1 3.69Å; I635-A637 HydrophobicContact CG2-CB 4.31Å; I635-A637 PolarHBondContact O-N 3.39Å; I635-I642 HydrophobicContact CB-CD1 4.5Å; I635-I642 HydrophobicContact CG2-CD1 4.21Å; I635-T674 WeakPolarHBondContact O-CA 3.48Å; I635-A675 PolarHBondContact N-O 2.9Å; I635-A675 PolarHBondContact O-N 3.45Å; I635-V677 HydrophobicContact CD1-CB 4.41Å; I635-V677 HydrophobicContact CD1-CG2 3.83Å; I635-V677 HydrophobicContact CG1-CG2 4.36Å
636	E	75	Confident	73.5	Confident	144 Å²	144	67.8 Å²	67.8	67%	0.673	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	86.4	175.2	-165.3	-175.4	177.6	0	0	110.9	R673	E636-R673 CarbonylContact C-O 3.56Å; E636-R673 VanDerWaalsContact C-O 3.31Å; E636-R673 WeakPolarHBondContact CA-O 3.32Å; E636-R673 HydrophobicContact CG-CB 4.44Å; E636-R673 WeakPolarHBondContact CG-O 3.5Å
637	A	71.2	Confident	75.2	Confident	6 Å²	6	66.6 Å²	66.6	5%	0.05	33%	0.333	C	S	.	.	S	Bend	trans	-153.2	155.2	-179.3	0	0	0	0	0	111.5	Y622 I635 I642 R673	Y622-A637 VanDerWaalsContact OH-CB 3.31Å; Y622-A637 WeakPolarHBondContact OH-CB 3.32Å; I635-A637 HydrophobicContact CG2-CB 4.31Å; I635-A637 PolarHBondContact O-N 3.39Å; A637-I642 HydrophobicContact CB-CD1 3.31Å; A637-I642 HydrophobicContact CB-CG1 3.89Å; A637-R673 PolarHBondContact N-O 2.92Å; A637-R673 CarbonylContact O-C 3.5Å
638	W	76.7	Confident	76.5	Confident	162 Å²	162	63.3 Å²	63.3	61%	0.614	32%	0.32	S	S	*	.			trans	-71.8	134.6	165.3	-69.7	45.7	0	0	0	107.4	D640 D641	W638-D640 PolarHBondContact O-N 3.26Å; W638-D640 VanDerWaalsContact O-N 3.16Å; W638-D641 WeakPolarHBondContact O-CB 3.47Å; W638-D641 PolarHBondContact O-N 3.39Å
639	A	70.4	Confident	77.8	Confident	21 Å²	21	61.1 Å²	61.1	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-56	-35.6	-178.6	0	0	0	0	0	112.2	D641 I642 Y643 Y669	A639-D641 VanDerWaalsContact C-N 3.26Å; A639-D641 PolarHBondContact O-N 3.29Å; A639-I642 PolarHBondContact O-N 2.85Å; A639-Y643 PolarHBondContact O-N 3.49Å; A639-Y669 HydrophobicContact CB-CD2 3.95Å
640	D	77.1	Confident	79	Confident	134 Å²	134	53.2 Å²	53.2	72%	0.717	28%	0.277	S	S	*	.	H	α-helix	trans	-60.6	-31.5	176.6	-72.4	-5.3	0	0	0	113.4	W638 I642	W638-D640 PolarHBondContact O-N 3.26Å; W638-D640 VanDerWaalsContact O-N 3.16Å; D640-I642 VanDerWaalsContact C-N 3.29Å; D640-I642 PolarHBondContact O-N 3.24Å
641	D	77.5	Confident	79.4	Confident	74 Å²	74	48.6 Å²	48.6	40%	0.396	25%	0.252	S	S	.	.	H	α-helix	trans	-72.4	-23.6	-179.5	-84.5	7.9	0	0	0	112.7	K620 W638 A639	K620-D641 WeakPolarHBondContact CE-OD2 3.49Å; K620-D641 IonicContact NZ-OD2 3.6Å; K620-D641 PolarHBondContact NZ-OD2 3.03Å; W638-D641 WeakPolarHBondContact O-CB 3.47Å; W638-D641 PolarHBondContact O-N 3.39Å; A639-D641 VanDerWaalsContact C-N 3.26Å; A639-D641 PolarHBondContact O-N 3.29Å
642	I	79.8	Confident	79.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-108.2	-9.1	-176	-60.2	-177.1	0	0	0	111.5	I588 Y622 I635 A637 A639 D640 S644 A645 V667 V677	I588-I642 HydrophobicContact CG2-CG2 4.07Å; Y622-I642 HydrophobicContact CE2-CD1 4.44Å; I635-I642 HydrophobicContact CB-CD1 4.5Å; I635-I642 HydrophobicContact CG2-CD1 4.21Å; A637-I642 HydrophobicContact CB-CD1 3.31Å; A637-I642 HydrophobicContact CB-CG1 3.89Å; A639-I642 PolarHBondContact O-N 2.85Å; D640-I642 VanDerWaalsContact C-N 3.29Å; D640-I642 PolarHBondContact O-N 3.24Å; I642-S644 PolarHBondContact O-N 3.22Å; I642-A645 HydrophobicContact CG2-CB 3.99Å; I642-A645 WeakPolarHBondContact O-CB 3.48Å; I642-A645 PolarHBondContact O-N 2.82Å; I642-V667 HydrophobicContact CG2-CG1 4.4Å; I642-V667 HydrophobicContact CG2-CG2 4.18Å; I642-V677 HydrophobicContact CG2-CG2 4.31Å
643	Y	79.8	Confident	78.3	Confident	192 Å²	192	49.1 Å²	49.1	75%	0.753	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.5	-172.3	-170.1	-96.1	0	0	0	115.2	A639	A639-Y643 PolarHBondContact O-N 3.49Å
644	S	83.2	Confident	77.5	Confident	74 Å²	74	51.2 Å²	51.2	52%	0.517	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.4	177.8	58.3	0	0	0	0	114.7	S590 I642	S590-S644 WeakPolarHBondContact CB-O 3.28Å; S590-S644 PolarHBondContact OG-O 2.91Å; I642-S644 PolarHBondContact O-N 3.22Å
645	A	85.4	Confident	76.8	Confident	13 Å²	13	54.1 Å²	54.1	11%	0.107	28%	0.275	C	S	.	.			trans	-74.1	132.1	-176.1	0	0	0	0	0	111.8	I588 L589 I642 I664	I588-A645 HydrophobicContact CG2-CB 3.28Å; L589-A645 VanDerWaalsContact O-CA 3.32Å; L589-A645 WeakPolarHBondContact O-CA 3.28Å; I642-A645 HydrophobicContact CG2-CB 3.99Å; I642-A645 WeakPolarHBondContact O-CB 3.48Å; I642-A645 PolarHBondContact O-N 2.82Å; A645-I664 HydrophobicContact CB-CD1 3.57Å
646	N	90.1	Very high	76.1	Confident	58 Å²	58	59.6 Å²	59.6	31%	0.31	31%	0.313	S	S	.	.			trans	-116.3	-10.7	177.4	71.8	-37.8	0	0	0	113.3	L589 S590 G591 V592 I664	L589-N646 PolarHBondContact O-N 3.44Å; L589-N646 VanDerWaalsContact O-N 3.09Å; S590-N646 WeakPolarHBondContact CA-OD1 3.37Å; G591-N646 PolarHBondContact N-OD1 2.9Å; V592-N646 PolarHBondContact N-OD1 3.42Å; V592-N646 PolarHBondContact O-ND2 2.76Å; N646-I664 PolarHBondContact O-N 3.33Å; N646-I664 VanDerWaalsContact O-N 3.17Å
647	Y	90.6	Very high	75.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.7	-173.5	-149.9	-106.8	0	0	0	109.8	L589 V592 C594 M614 Y661 A662 F663 I664 D682	L589-Y647 WeakPolarHBondContact CA-O 3.28Å; L589-Y647 WeakPolarHBondContact CB-O 3.4Å; L589-Y647 HydrophobicContact CD1-CD1 3.72Å; L589-Y647 PolarHBondContact N-O 3.07Å; L589-Y647 PolarHBondContact O-N 3.45Å; L589-Y647 VanDerWaalsContact O-O 3.06Å; V592-Y647 HydrophobicContact CB-CD1 4.3Å; V592-Y647 HydrophobicContact CB-CD2 4.49Å; V592-Y647 HydrophobicContact CB-CG 3.99Å; V592-Y647 HydrophobicContact CG1-CD1 3.98Å; V592-Y647 HydrophobicContact CG1-CD2 4.18Å; V592-Y647 HydrophobicContact CG1-CE1 4.25Å; V592-Y647 HydrophobicContact CG1-CE2 4.46Å; V592-Y647 HydrophobicContact CG1-CG 3.93Å; V592-Y647 HydrophobicContact CG2-CD1 4.05Å; V592-Y647 HydrophobicContact CG2-CG 4.07Å; C594-Y647 HydrophobicContact CB-CE2 4.38Å; M614-Y647 HydrophobicContact CE-CE1 3.83Å; M614-Y647 HydrophobicContact SD-CD1 4.24Å; M614-Y647 HydrophobicContact SD-CE1 4.01Å; Y647-Y661 HydrophobicContact CE1-CD1 4.23Å; Y647-Y661 HydrophobicContact CE1-CG 4.45Å; Y647-Y661 WeakPolarHBondContact OH-CB 3.4Å; Y647-A662 CarbonylContact C-O 3.58Å; Y647-A662 WeakPolarHBondContact CA-O 3.17Å; Y647-A662 WeakPolarHBondContact CD2-O 3.2Å; Y647-F663 AromaticContact CD2-CD1 3.57Å; Y647-F663 HydrophobicContact CD2-CD1 3.57Å; Y647-F663 AromaticContact CD2-CE1 3.97Å; Y647-F663 HydrophobicContact CD2-CE1 3.97Å; Y647-F663 HydrophobicContact CD2-CG 4.23Å; Y647-F663 AromaticContact CE2-CD1 3.41Å; Y647-F663 HydrophobicContact CE2-CD1 3.41Å; Y647-F663 VanDerWaalsContact CE2-CD1 3.41Å; Y647-F663 AromaticContact CE2-CE1 3.42Å; Y647-F663 HydrophobicContact CE2-CE1 3.42Å; Y647-F663 VanDerWaalsContact CE2-CE1 3.42Å; Y647-F663 AromaticContact CE2-CG 3.98Å; Y647-F663 HydrophobicContact CE2-CG 3.98Å; Y647-F663 HydrophobicContact CE2-CZ 4Å; Y647-I664 WeakPolarHBondContact O-CD1 3.01Å; Y647-D682 HydrophobicContact CE2-CB 4.4Å; Y647-D682 VanDerWaalsContact OH-CB 3.27Å; Y647-D682 WeakPolarHBondContact OH-CB 3.4Å; Y647-D682 VanDerWaalsContact OH-CG 3.27Å; Y647-D682 PolarHBondContact OH-OD2 3.25Å
648	M	87.9	Confident	75.8	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.6	173.5	65.7	-176.3	-79.7	0	0	110.1	I586 Y587 I588 V633 F650 A662 I664 V677 Y679	I586-M648 HydrophobicContact CD1-CE 4.36Å; I586-M648 HydrophobicContact CG2-CE 3.91Å; Y587-M648 WeakPolarHBondContact O-CA 3.4Å; I588-M648 HydrophobicContact CD1-CB 3.97Å; V633-M648 HydrophobicContact CG2-CE 4.06Å; M648-F650 HydrophobicContact CE-CD1 3.8Å; M648-F650 HydrophobicContact CE-CE1 4.4Å; M648-A662 HydrophobicContact CG-CB 3.81Å; M648-A662 PolarHBondContact N-O 3.28Å; M648-A662 PolarHBondContact O-N 3.14Å; M648-I664 HydrophobicContact CB-CD1 4.22Å; M648-I664 HydrophobicContact CB-CG1 4.16Å; M648-I664 HydrophobicContact CG-CG1 4.18Å; M648-I664 HydrophobicContact SD-CG1 4.35Å; M648-V677 HydrophobicContact SD-CG1 4.08Å; M648-Y679 HydrophobicContact CE-CD1 4.16Å; M648-Y679 HydrophobicContact CE-CE1 4.48Å; M648-Y679 HydrophobicContact CE-CG 4.32Å; M648-Y679 WeakPolarHBondContact SD-CB 3.48Å; M648-Y679 HydrophobicContact SD-CD1 3.79Å; M648-Y679 HydrophobicContact SD-CD2 4.35Å; M648-Y679 HydrophobicContact SD-CG 3.61Å
649	M	87.3	Confident	76	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.8	169	68	-174.2	-64.2	0	0	109.6	Y587 L589 M614 W659 F660 Y661	Y587-M649 HydrophobicContact CD2-CE 4.38Å; Y587-M649 HydrophobicContact CD2-CG 3.75Å; Y587-M649 HydrophobicContact CD2-SD 3.82Å; Y587-M649 HydrophobicContact CG-CG 4.22Å; Y587-M649 PolarHBondContact N-O 2.91Å; Y587-M649 PolarHBondContact O-N 3.03Å; L589-M649 HydrophobicContact CD1-CB 4.07Å; L589-M649 HydrophobicContact CD1-CG 3.92Å; L589-M649 HydrophobicContact CD1-SD 4.25Å; L589-M649 HydrophobicContact CD2-SD 4.46Å; M614-M649 HydrophobicContact CB-CE 4.37Å; M614-M649 HydrophobicContact CB-SD 3.66Å; M649-W659 HydrophobicContact CB-CE3 4.19Å; M649-W659 HydrophobicContact CE-CB 4.35Å; M649-W659 HydrophobicContact CE-CD2 3.46Å; M649-W659 VanDerWaalsContact CE-CD2 3.46Å; M649-W659 HydrophobicContact CE-CE3 3.28Å; M649-W659 HydrophobicContact CE-CG 3.94Å; M649-W659 HydrophobicContact CE-CZ3 3.88Å; M649-W659 HydrophobicContact CG-CE3 4Å; M649-W659 HydrophobicContact CG-CZ3 4.04Å; M649-W659 HydrophobicContact SD-CE3 4.4Å; M649-F660 CarbonylContact C-O 3.51Å; M649-F660 WeakPolarHBondContact CA-O 3.22Å; M649-F660 WeakPolarHBondContact CB-O 3.21Å; M649-Y661 HydrophobicContact CB-CD1 3.8Å; M649-Y661 HydrophobicContact CB-CE1 4.13Å; M649-Y661 HydrophobicContact CE-CE1 3.69Å; M649-Y661 HydrophobicContact SD-CE1 4.35Å
650	F	82.1	Confident	76.7	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.7	-177.9	60.9	-90	0	0	0	111.6	I585 I586 Y627 M648 F660 A662 Y679	I585-F650 CarbonylContact O-C 3.5Å; I585-F650 WeakPolarHBondContact O-CA 3.48Å; I586-F650 HydrophobicContact CB-CB 4.43Å; I586-F650 HydrophobicContact CG1-CB 3.79Å; Y627-F650 AromaticContact CD2-CD2 3.9Å; Y627-F650 HydrophobicContact CD2-CD2 3.9Å; Y627-F650 AromaticContact CD2-CE2 3.39Å; Y627-F650 HydrophobicContact CD2-CE2 3.39Å; Y627-F650 HydrophobicContact CD2-CZ 4.1Å; Y627-F650 HydrophobicContact CE2-CD2 4.25Å; Y627-F650 AromaticContact CE2-CE2 3.3Å; Y627-F650 HydrophobicContact CE2-CE2 3.3Å; Y627-F650 AromaticContact CE2-CZ 3.64Å; Y627-F650 HydrophobicContact CE2-CZ 3.64Å; M648-F650 HydrophobicContact CE-CD1 3.8Å; M648-F650 HydrophobicContact CE-CE1 4.4Å; F650-F660 HydrophobicContact CD1-CB 4.23Å; F650-F660 HydrophobicContact CD2-CB 3.95Å; F650-F660 HydrophobicContact CD2-CD2 4.39Å; F650-F660 HydrophobicContact CD2-CG 4.43Å; F650-F660 HydrophobicContact CE1-CB 3.79Å; F650-F660 HydrophobicContact CE2-CB 3.45Å; F650-F660 VanDerWaalsContact CE2-CB 3.45Å; F650-F660 AromaticContact CE2-CD2 3.94Å; F650-F660 HydrophobicContact CE2-CD2 3.94Å; F650-F660 AromaticContact CE2-CG 3.73Å; F650-F660 HydrophobicContact CE2-CG 3.73Å; F650-F660 HydrophobicContact CG-CB 4.3Å; F650-F660 HydrophobicContact CZ-CB 3.37Å; F650-F660 HydrophobicContact CZ-CD1 4.48Å; F650-F660 AromaticContact CZ-CG 3.93Å; F650-F660 HydrophobicContact CZ-CG 3.93Å; F650-F660 PolarHBondContact N-O 3.11Å; F650-F660 PolarHBondContact O-N 2.93Å; F650-A662 HydrophobicContact CE1-CB 4.15Å; F650-Y679 HydrophobicContact CE1-CD2 4.26Å; F650-Y679 AromaticContact CE1-CE2 3.84Å; F650-Y679 HydrophobicContact CE1-CE2 3.84Å; F650-Y679 HydrophobicContact CZ-CE2 4.03Å
651	Q	74.8	Confident	77.2	Confident	39 Å²	39	46 Å²	46	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.4	169.3	-79.3	179	-51.1	0	0	109.5	S584 I585 D657 W659	S584-Q651 WeakPolarHBondContact CA-O 3.42Å; S584-Q651 WeakPolarHBondContact CB-O 3.33Å; I585-Q651 PolarHBondContact O-N 3.36Å; Q651-D657 PolarHBondContact NE2-O 2.81Å; Q651-W659 HydrophobicContact CB-CH2 4.48Å; Q651-W659 HydrophobicContact CB-CZ3 4.46Å; Q651-W659 HydrophobicContact CG-CD2 3.48Å; Q651-W659 VanDerWaalsContact CG-CD2 3.48Å; Q651-W659 VanDerWaalsContact CG-CE2 3.41Å; Q651-W659 HydrophobicContact CG-CE3 3.64Å; Q651-W659 HydrophobicContact CG-CG 4.09Å; Q651-W659 HydrophobicContact CG-CH2 3.59Å; Q651-W659 HydrophobicContact CG-CZ2 3.49Å; Q651-W659 VanDerWaalsContact CG-CZ2 3.49Å; Q651-W659 HydrophobicContact CG-CZ3 3.71Å; Q651-W659 VanDerWaalsContact OE1-CZ2 3.26Å
652	N	66.1	Low	77.8	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.059	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115	167.9	-174.5	-11.9	0	0	0	108	A654 F655 F660	N652-A654 PolarHBondContact O-N 3.27Å; N652-A654 WeakPolarHBondContact OD1-CB 3.46Å; N652-A654 PolarHBondContact OD1-N 3.47Å; N652-F655 HydrophobicContact CB-CD2 4.24Å; N652-F655 PolarHBondContact O-N 3.05Å; N652-F660 HydrophobicContact CB-CD2 4.19Å; N652-F660 HydrophobicContact CB-CE2 3.94Å
653	S	63	Low	78.3	Confident	46 Å²	46	43 Å²	43	32%	0.322	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59.7	-25.4	177.6	56.8	0	0	0	0	112.6	D583 F655 D657	D583-S653 PolarHBondContact O-OG 3.49Å; S653-F655 PolarHBondContact O-N 2.99Å; S653-D657 WeakPolarHBondContact CA-OD1 3.49Å
654	A	58.7	Low	78.7	Confident	49 Å²	49	35 Å²	35	41%	0.405	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-67.2	-19.4	175.6	0	0	0	0	0	113.4	N652	N652-A654 PolarHBondContact O-N 3.27Å; N652-A654 WeakPolarHBondContact OD1-CB 3.46Å; N652-A654 PolarHBondContact OD1-N 3.47Å
655	F	60.7	Low	78.9	Confident	107 Å²	107	34.7 Å²	34.7	47%	0.469	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-113.5	49.5	178.6	-73.4	-87.4	0	0	0	111.7	N652 S653 D657 K658 F660	N652-F655 HydrophobicContact CB-CD2 4.24Å; N652-F655 PolarHBondContact O-N 3.05Å; S653-F655 PolarHBondContact O-N 2.99Å; F655-D657 VanDerWaalsContact C-N 3.31Å; F655-D657 PolarHBondContact O-N 3.14Å; F655-K658 WeakPolarHBondContact O-CB 3.31Å; F655-K658 PolarHBondContact O-N 2.97Å; F655-F660 HydrophobicContact CB-CE2 3.67Å; F655-F660 HydrophobicContact CB-CZ 3.72Å; F655-F660 HydrophobicContact CD1-CZ 4.07Å; F655-F660 HydrophobicContact CD2-CE2 4.02Å; F655-F660 AromaticContact CD2-CZ 3.68Å; F655-F660 HydrophobicContact CD2-CZ 3.68Å; F655-F660 HydrophobicContact CE2-CZ 4.28Å; F655-F660 AromaticContact CG-CE2 3.96Å; F655-F660 HydrophobicContact CG-CE2 3.96Å; F655-F660 AromaticContact CG-CZ 3.56Å; F655-F660 HydrophobicContact CG-CZ 3.56Å
656	S	61.3	Low	78.9	Confident	116 Å²	116	38.1 Å²	38.1	81%	0.811	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	40.4	175.2	-52.8	0	0	0	0	114	K658	S656-K658 PolarHBondContact O-N 3.16Å
657	D	65.6	Low	78.6	Confident	98 Å²	98	37.6 Å²	37.6	52%	0.524	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	23.6	-176.2	-63	-35.2	0	0	0	114.4	Q651 S653 F655	Q651-D657 PolarHBondContact NE2-O 2.81Å; S653-D657 WeakPolarHBondContact CA-OD1 3.49Å; F655-D657 VanDerWaalsContact C-N 3.31Å; F655-D657 PolarHBondContact O-N 3.14Å
658	K	73.6	Confident	78.2	Confident	39 Å²	39	43 Å²	43	17%	0.17	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	139.2	177.7	-178.9	175.3	168.1	177.2	0	110.4	F655 S656 F660 T686 D690	F655-K658 WeakPolarHBondContact O-CB 3.31Å; F655-K658 PolarHBondContact O-N 2.97Å; S656-K658 PolarHBondContact O-N 3.16Å; K658-F660 HydrophobicContact CB-CE2 4.45Å; K658-F660 WeakPolarHBondContact O-CD2 3.46Å; K658-T686 WeakPolarHBondContact CE-O 3.41Å; K658-T686 PolarHBondContact NZ-O 3.26Å; K658-D690 WeakPolarHBondContact CE-OD2 3.24Å; K658-D690 IonicContact NZ-OD2 3.33Å; K658-D690 PolarHBondContact NZ-OD2 3.03Å
659	W	81.2	Confident	77.6	Confident	31 Å²	31	49.2 Å²	49.2	12%	0.117	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.1	169.6	-72.8	97.7	0	0	0	110.7	I585 Y587 M649 Q651 Y661	I585-W659 HydrophobicContact CB-CH2 4.37Å; I585-W659 HydrophobicContact CG2-CH2 4.12Å; Y587-W659 AromaticContact CD2-CH2 3.49Å; Y587-W659 HydrophobicContact CD2-CH2 3.49Å; Y587-W659 VanDerWaalsContact CD2-CH2 3.49Å; Y587-W659 HydrophobicContact CD2-CZ2 4.41Å; Y587-W659 AromaticContact CD2-CZ3 3.53Å; Y587-W659 HydrophobicContact CD2-CZ3 3.53Å; Y587-W659 AromaticContact CE2-CH2 3.03Å; Y587-W659 HydrophobicContact CE2-CH2 3.03Å; Y587-W659 AromaticContact CE2-CZ2 3.69Å; Y587-W659 HydrophobicContact CE2-CZ2 3.69Å; Y587-W659 AromaticContact CE2-CZ3 3.62Å; Y587-W659 HydrophobicContact CE2-CZ3 3.62Å; Y587-W659 AromaticContact CZ-CH2 3.94Å; M649-W659 HydrophobicContact CB-CE3 4.19Å; M649-W659 HydrophobicContact CE-CB 4.35Å; M649-W659 HydrophobicContact CE-CD2 3.46Å; M649-W659 VanDerWaalsContact CE-CD2 3.46Å; M649-W659 HydrophobicContact CE-CE3 3.28Å; M649-W659 HydrophobicContact CE-CG 3.94Å; M649-W659 HydrophobicContact CE-CZ3 3.88Å; M649-W659 HydrophobicContact CG-CE3 4Å; M649-W659 HydrophobicContact CG-CZ3 4.04Å; M649-W659 HydrophobicContact SD-CE3 4.4Å; Q651-W659 HydrophobicContact CB-CH2 4.48Å; Q651-W659 HydrophobicContact CB-CZ3 4.46Å; Q651-W659 HydrophobicContact CG-CD2 3.48Å; Q651-W659 VanDerWaalsContact CG-CD2 3.48Å; Q651-W659 VanDerWaalsContact CG-CE2 3.41Å; Q651-W659 HydrophobicContact CG-CE3 3.64Å; Q651-W659 HydrophobicContact CG-CG 4.09Å; Q651-W659 HydrophobicContact CG-CH2 3.59Å; Q651-W659 HydrophobicContact CG-CZ2 3.49Å; Q651-W659 VanDerWaalsContact CG-CZ2 3.49Å; Q651-W659 HydrophobicContact CG-CZ3 3.71Å; Q651-W659 VanDerWaalsContact OE1-CZ2 3.26Å; W659-Y661 HydrophobicContact CB-CE2 4.38Å
660	F	85	Confident	76.8	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	141	166	-70	-98.2	0	0	0	109.3	M649 F650 N652 F655 K658 I681 T686 W687	M649-F660 CarbonylContact C-O 3.51Å; M649-F660 WeakPolarHBondContact CA-O 3.22Å; M649-F660 WeakPolarHBondContact CB-O 3.21Å; F650-F660 HydrophobicContact CD1-CB 4.23Å; F650-F660 HydrophobicContact CD2-CB 3.95Å; F650-F660 HydrophobicContact CD2-CD2 4.39Å; F650-F660 HydrophobicContact CD2-CG 4.43Å; F650-F660 HydrophobicContact CE1-CB 3.79Å; F650-F660 HydrophobicContact CE2-CB 3.45Å; F650-F660 VanDerWaalsContact CE2-CB 3.45Å; F650-F660 AromaticContact CE2-CD2 3.94Å; F650-F660 HydrophobicContact CE2-CD2 3.94Å; F650-F660 AromaticContact CE2-CG 3.73Å; F650-F660 HydrophobicContact CE2-CG 3.73Å; F650-F660 HydrophobicContact CG-CB 4.3Å; F650-F660 HydrophobicContact CZ-CB 3.37Å; F650-F660 HydrophobicContact CZ-CD1 4.48Å; F650-F660 AromaticContact CZ-CG 3.93Å; F650-F660 HydrophobicContact CZ-CG 3.93Å; F650-F660 PolarHBondContact N-O 3.11Å; F650-F660 PolarHBondContact O-N 2.93Å; N652-F660 HydrophobicContact CB-CD2 4.19Å; N652-F660 HydrophobicContact CB-CE2 3.94Å; F655-F660 HydrophobicContact CB-CE2 3.67Å; F655-F660 HydrophobicContact CB-CZ 3.72Å; F655-F660 HydrophobicContact CD1-CZ 4.07Å; F655-F660 HydrophobicContact CD2-CE2 4.02Å; F655-F660 AromaticContact CD2-CZ 3.68Å; F655-F660 HydrophobicContact CD2-CZ 3.68Å; F655-F660 HydrophobicContact CE2-CZ 4.28Å; F655-F660 AromaticContact CG-CE2 3.96Å; F655-F660 HydrophobicContact CG-CE2 3.96Å; F655-F660 AromaticContact CG-CZ 3.56Å; F655-F660 HydrophobicContact CG-CZ 3.56Å; K658-F660 HydrophobicContact CB-CE2 4.45Å; K658-F660 WeakPolarHBondContact O-CD2 3.46Å; F660-I681 HydrophobicContact CD1-CG2 4.42Å; F660-T686 HydrophobicContact CD1-CG2 3.63Å; F660-T686 HydrophobicContact CE1-CG2 4.05Å; F660-T686 HydrophobicContact CG-CG2 4.24Å; F660-W687 HydrophobicContact CE1-CZ2 4.24Å
661	Y	88.3	Confident	76.3	Confident	6 Å²	6	58.4 Å²	58.4	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.7	176.8	-57.3	-79.5	0	0	0	108.9	Q610 M614 Y647 M649 W659 I681 D682 Q685 T686	Q610-Y661 VanDerWaalsContact CD-CE2 3.44Å; Q610-Y661 VanDerWaalsContact CD-OH 3.3Å; Q610-Y661 HydrophobicContact CG-CE2 4.31Å; Q610-Y661 VanDerWaalsContact OE1-CE2 3.32Å; Q610-Y661 PolarHBondContact OE1-OH 3.27Å; M614-Y661 HydrophobicContact CB-CE1 4.3Å; M614-Y661 HydrophobicContact CE-CD1 4.23Å; M614-Y661 HydrophobicContact CE-CE1 4.5Å; M614-Y661 HydrophobicContact CG-CD1 4.08Å; M614-Y661 HydrophobicContact CG-CE1 3.68Å; Y647-Y661 HydrophobicContact CE1-CD1 4.23Å; Y647-Y661 HydrophobicContact CE1-CG 4.45Å; Y647-Y661 WeakPolarHBondContact OH-CB 3.4Å; M649-Y661 HydrophobicContact CB-CD1 3.8Å; M649-Y661 HydrophobicContact CB-CE1 4.13Å; M649-Y661 HydrophobicContact CE-CE1 3.69Å; M649-Y661 HydrophobicContact SD-CE1 4.35Å; W659-Y661 HydrophobicContact CB-CE2 4.38Å; Y661-I681 WeakPolarHBondContact O-CG2 3.37Å; Y661-D682 WeakPolarHBondContact O-CB 3.43Å; Y661-D682 PolarHBondContact O-N 3.48Å; Y661-Q685 HydrophobicContact CD2-CB 3.89Å; Y661-Q685 HydrophobicContact CG-CB 4.08Å; Y661-T686 PolarHBondContact N-OG1 3.49Å; Y661-T686 PolarHBondContact O-OG1 3.1Å
662	A	89	Confident	75.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.8	-175.7	0	0	0	0	0	112.8	Y647 M648 F650 Y679 T680	Y647-A662 CarbonylContact C-O 3.58Å; Y647-A662 WeakPolarHBondContact CA-O 3.17Å; Y647-A662 WeakPolarHBondContact CD2-O 3.2Å; M648-A662 HydrophobicContact CG-CB 3.81Å; M648-A662 PolarHBondContact N-O 3.28Å; M648-A662 PolarHBondContact O-N 3.14Å; F650-A662 HydrophobicContact CE1-CB 4.15Å; A662-Y679 HydrophobicContact CB-CD2 3.66Å; A662-Y679 HydrophobicContact CB-CG 4.26Å; A662-T680 CarbonylContact C-O 3.13Å; A662-T680 VanDerWaalsContact CA-O 3.31Å; A662-T680 WeakPolarHBondContact CA-O 2.9Å; A662-T680 WeakPolarHBondContact CB-O 2.99Å
663	F	90.1	Very high	76.1	Confident	13 Å²	13	69.1 Å²	69.1	6%	0.057	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.4	170.5	-56.7	-77.9	0	0	0	109.7	C594 D595 R596 Y647 Y679 T680 D682	C594-F663 HydrophobicContact CB-CE1 3.91Å; C594-F663 HydrophobicContact CB-CZ 4.38Å; D595-F663 VanDerWaalsContact C-CZ 3.5Å; D595-F663 WeakPolarHBondContact O-CE1 3.17Å; D595-F663 WeakPolarHBondContact O-CZ 3.28Å; R596-F663 HydrophobicContact CB-CD2 4.33Å; R596-F663 HydrophobicContact CB-CG 4.35Å; R596-F663 HydrophobicContact CG-CD2 4.4Å; Y647-F663 AromaticContact CD2-CD1 3.57Å; Y647-F663 HydrophobicContact CD2-CD1 3.57Å; Y647-F663 AromaticContact CD2-CE1 3.97Å; Y647-F663 HydrophobicContact CD2-CE1 3.97Å; Y647-F663 HydrophobicContact CD2-CG 4.23Å; Y647-F663 AromaticContact CE2-CD1 3.41Å; Y647-F663 HydrophobicContact CE2-CD1 3.41Å; Y647-F663 VanDerWaalsContact CE2-CD1 3.41Å; Y647-F663 AromaticContact CE2-CE1 3.42Å; Y647-F663 HydrophobicContact CE2-CE1 3.42Å; Y647-F663 VanDerWaalsContact CE2-CE1 3.42Å; Y647-F663 AromaticContact CE2-CG 3.98Å; Y647-F663 HydrophobicContact CE2-CG 3.98Å; Y647-F663 HydrophobicContact CE2-CZ 4Å; F663-Y679 CarbonylContact O-C 3.49Å; F663-Y679 WeakPolarHBondContact O-CA 3.48Å; F663-Y679 WeakPolarHBondContact O-CB 3.32Å; F663-T680 PolarHBondContact N-O 3Å; F663-T680 PolarHBondContact O-N 3.33Å; F663-D682 HydrophobicContact CD2-CB 4.12Å; F663-D682 HydrophobicContact CE2-CB 3.55Å; F663-D682 HydrophobicContact CZ-CB 3.98Å; F663-D682 WeakPolarHBondContact CZ-OD2 3.16Å
664	I	88.5	Confident	76.4	Confident	24 Å²	24	68.9 Å²	68.9	12%	0.123	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.8	171	-64.4	173	0	0	0	108	I588 A645 N646 Y647 M648 V667 V677 H678	I588-I664 HydrophobicContact CD1-CD1 4.25Å; I588-I664 HydrophobicContact CG2-CD1 4.43Å; A645-I664 HydrophobicContact CB-CD1 3.57Å; N646-I664 PolarHBondContact O-N 3.33Å; N646-I664 VanDerWaalsContact O-N 3.17Å; Y647-I664 WeakPolarHBondContact O-CD1 3.01Å; M648-I664 HydrophobicContact CB-CD1 4.22Å; M648-I664 HydrophobicContact CB-CG1 4.16Å; M648-I664 HydrophobicContact CG-CG1 4.18Å; M648-I664 HydrophobicContact SD-CG1 4.35Å; I664-V667 HydrophobicContact CG2-CG2 3.9Å; I664-V677 HydrophobicContact CB-CG1 4.43Å; I664-V677 HydrophobicContact CD1-CG1 4.01Å; I664-V677 HydrophobicContact CG1-CG1 3.84Å; I664-V677 HydrophobicContact CG2-CG1 3.86Å; I664-H678 CarbonylContact C-O 3.54Å; I664-H678 WeakPolarHBondContact CA-O 3.32Å
665	T	87.2	Confident	77.3	Confident	67 Å²	67	66.6 Å²	66.6	41%	0.411	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-38.7	-177.9	52.6	0	0	0	0	112.8	H678 T680	T665-H678 PolarHBondContact N-O 3.44Å; T665-H678 VanDerWaalsContact OG1-C 3.25Å; T665-H678 WeakPolarHBondContact OG1-CB 3.5Å; T665-H678 PolarHBondContact OG1-O 2.88Å; T665-T680 HydrophobicContact CG2-CG2 3.78Å
666	E	85.9	Confident	78.3	Confident	85 Å²	85	63.9 Å²	63.9	40%	0.397	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	146.1	-178.8	-166.4	-178.5	170	0	0	109.8	R668 H678	E666-R668 VanDerWaalsContact CD-NE 3.27Å; E666-R668 HydrophobicContact CG-CG 4.17Å; E666-R668 WeakPolarHBondContact OE1-CG 3.5Å; E666-R668 IonicContact OE1-CZ 3.87Å; E666-R668 IonicContact OE1-NE 3.02Å; E666-R668 PolarHBondContact OE1-NE 3.49Å; E666-R668 IonicContact OE1-NH2 3.78Å; E666-R668 IonicContact OE2-CZ 3.78Å; E666-R668 IonicContact OE2-NE 3.81Å; E666-R668 PolarHBondContact OE2-NE 3.03Å; E666-R668 IonicContact OE2-NH2 3.33Å; E666-R668 PolarHBondContact OE2-NH2 2.83Å; E666-H678 HydrophobicContact CB-CB 4.01Å; E666-H678 PolarHBondContact O-N 3.39Å
667	V	84.2	Confident	79.3	Confident	46 Å²	46	58.3 Å²	58.3	28%	0.279	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.2	169.3	-178.7	0	0	0	0	108.1	I642 I664 A675 E676 V677	I642-V667 HydrophobicContact CG2-CG1 4.4Å; I642-V667 HydrophobicContact CG2-CG2 4.18Å; I664-V667 HydrophobicContact CG2-CG2 3.9Å; V667-A675 HydrophobicContact CG1-CB 4.2Å; V667-E676 CarbonylContact C-O 3.53Å; V667-E676 VanDerWaalsContact CA-O 3.28Å; V667-E676 WeakPolarHBondContact CA-O 3.32Å; V667-V677 HydrophobicContact CG2-CG2 4.47Å
668	R	80.9	Confident	80.3	Confident	114 Å²	114	55.1 Å²	55.1	43%	0.43	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.1	179	-69.2	-174.7	179.5	164	13.8	111.6	E666 A675 E676	E666-R668 VanDerWaalsContact CD-NE 3.27Å; E666-R668 HydrophobicContact CG-CG 4.17Å; E666-R668 WeakPolarHBondContact OE1-CG 3.5Å; E666-R668 IonicContact OE1-CZ 3.87Å; E666-R668 IonicContact OE1-NE 3.02Å; E666-R668 PolarHBondContact OE1-NE 3.49Å; E666-R668 IonicContact OE1-NH2 3.78Å; E666-R668 IonicContact OE2-CZ 3.78Å; E666-R668 IonicContact OE2-NE 3.81Å; E666-R668 PolarHBondContact OE2-NE 3.03Å; E666-R668 IonicContact OE2-NH2 3.33Å; E666-R668 PolarHBondContact OE2-NH2 2.83Å; R668-A675 CarbonylContact O-C 3.5Å; R668-A675 WeakPolarHBondContact O-CA 3.37Å; R668-E676 HydrophobicContact CB-CB 4.2Å; R668-E676 PolarHBondContact N-O 3.32Å; R668-E676 PolarHBondContact O-N 3Å
669	Y	76.1	Confident	80.9	Confident	130 Å²	130	53.8 Å²	53.8	51%	0.51	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.3	176.9	173.4	-90.7	0	0	0	109.6	A639 N671 N672	A639-Y669 HydrophobicContact CB-CD2 3.95Å; Y669-N671 VanDerWaalsContact CE2-O 3.3Å; Y669-N671 WeakPolarHBondContact CE2-O 3.27Å; Y669-N672 PolarHBondContact OH-N 3.25Å; Y669-N672 PolarHBondContact OH-OD1 2.88Å
670	E	70.1	Confident	81.2	Confident	119 Å²	119	55 Å²	55	56%	0.556	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	-55.8	175	-83.7	-72.6	138	0	0	110.4	T674 E676	E670-T674 PolarHBondContact N-O 2.99Å; E670-E676 HydrophobicContact CG-CG 3.74Å
671	N	71	Confident	81.4	Confident	78 Å²	78	57.1 Å²	57.1	42%	0.417	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	174.3	177.4	72.3	40.4	0	0	0	111.1	Y669 R673 T674	Y669-N671 VanDerWaalsContact CE2-O 3.3Å; Y669-N671 WeakPolarHBondContact CE2-O 3.27Å; N671-R673 PolarHBondContact O-N 3.27Å; N671-R673 WeakPolarHBondContact OD1-CA 3.29Å; N671-R673 PolarHBondContact OD1-N 3.05Å; N671-T674 PolarHBondContact N-O 3.25Å; N671-T674 PolarHBondContact ND2-OG1 3.1Å; N671-T674 PolarHBondContact O-N 2.77Å; N671-T674 WeakPolarHBondContact OD1-CB 3.34Å; N671-T674 PolarHBondContact OD1-N 3.45Å; N671-T674 PolarHBondContact OD1-OG1 2.95Å
672	N	67.6	Low	81.4	Confident	108 Å²	108	57 Å²	57	58%	0.578	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-4.9	-176.6	-86.6	-28.1	0	0	0	115.1	Y669	Y669-N672 PolarHBondContact OH-N 3.25Å; Y669-N672 PolarHBondContact OH-OD1 2.88Å
673	R	69.6	Low	81.2	Confident	168 Å²	168	62.2 Å²	62.2	63%	0.634	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	-4.6	178	-68.8	-169.5	178.8	178.5	2.1	114	E636 A637 N671	E636-R673 CarbonylContact C-O 3.56Å; E636-R673 VanDerWaalsContact C-O 3.31Å; E636-R673 WeakPolarHBondContact CA-O 3.32Å; E636-R673 HydrophobicContact CG-CB 4.44Å; E636-R673 WeakPolarHBondContact CG-O 3.5Å; A637-R673 PolarHBondContact N-O 2.92Å; A637-R673 CarbonylContact O-C 3.5Å; N671-R673 PolarHBondContact O-N 3.27Å; N671-R673 WeakPolarHBondContact OD1-CA 3.29Å; N671-R673 PolarHBondContact OD1-N 3.05Å
674	T	71	Confident	81	Confident	41 Å²	41	64.9 Å²	64.9	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.8	-173.9	-50.2	0	0	0	0	109.2	A634 I635 E670 N671	A634-T674 HydrophobicContact CB-CG2 3.98Å; I635-T674 WeakPolarHBondContact O-CA 3.48Å; E670-T674 PolarHBondContact N-O 2.99Å; N671-T674 PolarHBondContact N-O 3.25Å; N671-T674 PolarHBondContact ND2-OG1 3.1Å; N671-T674 PolarHBondContact O-N 2.77Å; N671-T674 WeakPolarHBondContact OD1-CB 3.34Å; N671-T674 PolarHBondContact OD1-N 3.45Å; N671-T674 PolarHBondContact OD1-OG1 2.95Å
675	A	76.9	Confident	81	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.3	171.4	0	0	0	0	0	109.2	I635 V667 R668	I635-A675 PolarHBondContact N-O 2.9Å; I635-A675 PolarHBondContact O-N 3.45Å; V667-A675 HydrophobicContact CG1-CB 4.2Å; R668-A675 CarbonylContact O-C 3.5Å; R668-A675 WeakPolarHBondContact O-CA 3.37Å
676	E	81.4	Confident	81	Confident	49 Å²	49	61.2 Å²	61.2	23%	0.229	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.4	171.9	-67.3	-174.6	152	0	0	109.5	V632 V667 R668 E670	V632-E676 HydrophobicContact CG1-CB 3.96Å; V632-E676 HydrophobicContact CG1-CG 4.34Å; V667-E676 CarbonylContact C-O 3.53Å; V667-E676 VanDerWaalsContact CA-O 3.28Å; V667-E676 WeakPolarHBondContact CA-O 3.32Å; R668-E676 HydrophobicContact CB-CB 4.2Å; R668-E676 PolarHBondContact N-O 3.32Å; R668-E676 PolarHBondContact O-N 3Å; E670-E676 HydrophobicContact CG-CG 3.74Å
677	V	82.5	Confident	81	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.7	176.4	-178.1	0	0	0	0	108	V632 V633 I635 I642 M648 I664 V667	V632-V677 CarbonylContact C-O 3.51Å; V632-V677 WeakPolarHBondContact CA-O 3.34Å; V633-V677 PolarHBondContact N-O 2.99Å; V633-V677 PolarHBondContact O-N 3.12Å; I635-V677 HydrophobicContact CD1-CB 4.41Å; I635-V677 HydrophobicContact CD1-CG2 3.83Å; I635-V677 HydrophobicContact CG1-CG2 4.36Å; I642-V677 HydrophobicContact CG2-CG2 4.31Å; M648-V677 HydrophobicContact SD-CG1 4.08Å; I664-V677 HydrophobicContact CB-CG1 4.43Å; I664-V677 HydrophobicContact CD1-CG1 4.01Å; I664-V677 HydrophobicContact CG1-CG1 3.84Å; I664-V677 HydrophobicContact CG2-CG1 3.86Å; V667-V677 HydrophobicContact CG2-CG2 4.47Å
678	H	86.6	Confident	80.9	Confident	31 Å²	31	64 Å²	64	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.3	170.8	-64.9	-109.1	0	0	0	109.5	G631 V632 I664 T665 E666	G631-H678 CarbonylContact O-C 3.59Å; G631-H678 VanDerWaalsContact O-CA 3.25Å; G631-H678 WeakPolarHBondContact O-CA 3.37Å; V632-H678 VanDerWaalsContact CG2-ND1 3.35Å; V632-H678 WeakPolarHBondContact CG2-ND1 3.37Å; I664-H678 CarbonylContact C-O 3.54Å; I664-H678 WeakPolarHBondContact CA-O 3.32Å; T665-H678 PolarHBondContact N-O 3.44Å; T665-H678 VanDerWaalsContact OG1-C 3.25Å; T665-H678 WeakPolarHBondContact OG1-CB 3.5Å; T665-H678 PolarHBondContact OG1-O 2.88Å; E666-H678 HydrophobicContact CB-CB 4.01Å; E666-H678 PolarHBondContact O-N 3.39Å
679	Y	86.8	Confident	80.8	Confident	11 Å²	11	61.3 Å²	61.3	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.6	-176.7	69.2	-85.9	0	0	0	113.1	V628 G631 V633 M648 F650 A662 F663 I681	V628-Y679 PolarHBondContact O-OH 2.97Å; G631-Y679 VanDerWaalsContact CA-CE1 3.49Å; G631-Y679 WeakPolarHBondContact O-CD1 3.34Å; G631-Y679 PolarHBondContact O-N 3.35Å; V633-Y679 HydrophobicContact CG2-CD1 4.03Å; V633-Y679 HydrophobicContact CG2-CE1 3.41Å; V633-Y679 VanDerWaalsContact CG2-CE1 3.41Å; M648-Y679 HydrophobicContact CE-CD1 4.16Å; M648-Y679 HydrophobicContact CE-CE1 4.48Å; M648-Y679 HydrophobicContact CE-CG 4.32Å; M648-Y679 WeakPolarHBondContact SD-CB 3.48Å; M648-Y679 HydrophobicContact SD-CD1 3.79Å; M648-Y679 HydrophobicContact SD-CD2 4.35Å; M648-Y679 HydrophobicContact SD-CG 3.61Å; F650-Y679 HydrophobicContact CE1-CD2 4.26Å; F650-Y679 AromaticContact CE1-CE2 3.84Å; F650-Y679 HydrophobicContact CE1-CE2 3.84Å; F650-Y679 HydrophobicContact CZ-CE2 4.03Å; A662-Y679 HydrophobicContact CB-CD2 3.66Å; A662-Y679 HydrophobicContact CB-CG 4.26Å; F663-Y679 CarbonylContact O-C 3.49Å; F663-Y679 WeakPolarHBondContact O-CA 3.48Å; F663-Y679 WeakPolarHBondContact O-CB 3.32Å; Y679-I681 HydrophobicContact CE2-CG1 4.34Å
680	T	87.7	Confident	81	Confident	57 Å²	57	59 Å²	59	35%	0.35	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131	170.9	52.3	0	0	0	0	109.2	A662 F663 T665 D682	A662-T680 CarbonylContact C-O 3.13Å; A662-T680 VanDerWaalsContact CA-O 3.31Å; A662-T680 WeakPolarHBondContact CA-O 2.9Å; A662-T680 WeakPolarHBondContact CB-O 2.99Å; F663-T680 PolarHBondContact N-O 3Å; F663-T680 PolarHBondContact O-N 3.33Å; T665-T680 HydrophobicContact CG2-CG2 3.78Å; T680-D682 PolarHBondContact O-N 2.8Å
681	I	87.4	Confident	81.2	Confident	51 Å²	51	57 Å²	57	26%	0.262	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.2	-176	-53	177.1	0	0	0	110.6	F660 Y661 Y679 L683 W687	F660-I681 HydrophobicContact CD1-CG2 4.42Å; Y661-I681 WeakPolarHBondContact O-CG2 3.37Å; Y679-I681 HydrophobicContact CE2-CG1 4.34Å; I681-L683 PolarHBondContact O-N 3.4Å; I681-W687 HydrophobicContact CG2-CH2 3.66Å; I681-W687 HydrophobicContact CG2-CZ3 3.56Å
682	D	88.8	Confident	81.3	Confident	3 Å²	3	63 Å²	63	2%	0.016	30%	0.299	C	S	.	.			trans	-78.8	106.3	170	-174.4	-29.9	0	0	0	109.4	Y647 Y661 F663 T680 W684 Q685 T686	Y647-D682 HydrophobicContact CE2-CB 4.4Å; Y647-D682 VanDerWaalsContact OH-CB 3.27Å; Y647-D682 WeakPolarHBondContact OH-CB 3.4Å; Y647-D682 VanDerWaalsContact OH-CG 3.27Å; Y647-D682 PolarHBondContact OH-OD2 3.25Å; Y661-D682 WeakPolarHBondContact O-CB 3.43Å; Y661-D682 PolarHBondContact O-N 3.48Å; F663-D682 HydrophobicContact CD2-CB 4.12Å; F663-D682 HydrophobicContact CE2-CB 3.55Å; F663-D682 HydrophobicContact CZ-CB 3.98Å; F663-D682 WeakPolarHBondContact CZ-OD2 3.16Å; T680-D682 PolarHBondContact O-N 2.8Å; D682-W684 VanDerWaalsContact C-N 3.29Å; D682-W684 PolarHBondContact O-N 2.93Å; D682-W684 WeakPolarHBondContact OD1-CB 3.14Å; D682-W684 PolarHBondContact OD1-N 2.97Å; D682-Q685 HydrophobicContact CB-CB 4.36Å; D682-Q685 PolarHBondContact OD1-N 2.89Å; D682-Q685 WeakPolarHBondContact OD2-CG 3.46Å; D682-T686 WeakPolarHBondContact O-CB 3.48Å; D682-T686 PolarHBondContact O-N 3.45Å; D682-T686 PolarHBondContact O-OG1 2.64Å
683	L	85.9	Confident	81.3	Confident	110 Å²	110	64 Å²	64	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-66.1	-32.5	-179.3	-64.4	175.6	0	0	0	112.4	Y598 I681 W687	Y598-L683 WeakPolarHBondContact OH-CB 3.41Å; Y598-L683 PolarHBondContact OH-N 2.84Å; I681-L683 PolarHBondContact O-N 3.4Å; L683-W687 VanDerWaalsContact CA-CE3 3.45Å; L683-W687 HydrophobicContact CB-CE3 4.23Å; L683-W687 HydrophobicContact CB-CZ3 4.26Å; L683-W687 HydrophobicContact CD2-CE3 3.85Å; L683-W687 HydrophobicContact CD2-CH2 3.73Å; L683-W687 HydrophobicContact CD2-CZ3 3.3Å; L683-W687 HydrophobicContact CG-CZ3 4.24Å; L683-W687 VanDerWaalsContact O-CE3 3.28Å; L683-W687 PolarHBondContact O-N 3.45Å
684	W	85.7	Confident	81.2	Confident	70 Å²	70	58.7 Å²	58.7	27%	0.265	31%	0.306	S	S	.	.	H	α-helix	trans	-75.2	-54.8	-176.5	-168.4	-87.7	0	0	0	110.8	Y598 I601 W603 D682 T686 W688	Y598-W684 HydrophobicContact CD1-CB 4.05Å; Y598-W684 HydrophobicContact CE1-CB 3.69Å; I601-W684 HydrophobicContact CD1-CD2 4.18Å; I601-W684 HydrophobicContact CD1-CE3 4.44Å; I601-W684 HydrophobicContact CD1-CG 4.4Å; I601-W684 HydrophobicContact CG2-CD2 4.16Å; I601-W684 HydrophobicContact CG2-CG 3.81Å; I601-W684 VanDerWaalsContact CG2-NE1 3.25Å; W603-W684 HydrophobicContact CH2-CH2 4.09Å; W603-W684 AromaticContact CH2-CZ2 3.44Å; W603-W684 HydrophobicContact CH2-CZ2 3.44Å; W603-W684 VanDerWaalsContact CH2-CZ2 3.44Å; W603-W684 AromaticContact CZ2-CZ2 3.86Å; W603-W684 HydrophobicContact CZ2-CZ2 3.86Å; W603-W684 AromaticContact CZ3-CZ2 3.84Å; W603-W684 HydrophobicContact CZ3-CZ2 3.84Å; D682-W684 VanDerWaalsContact C-N 3.29Å; D682-W684 PolarHBondContact O-N 2.93Å; D682-W684 WeakPolarHBondContact OD1-CB 3.14Å; D682-W684 PolarHBondContact OD1-N 2.97Å; W684-T686 VanDerWaalsContact C-N 3.28Å; W684-T686 PolarHBondContact O-N 3.07Å; W684-W688 HydrophobicContact CH2-CD2 4.17Å; W684-W688 AromaticContact CH2-CE3 3.48Å; W684-W688 HydrophobicContact CH2-CE3 3.48Å; W684-W688 VanDerWaalsContact CH2-CE3 3.48Å; W684-W688 HydrophobicContact CH2-CH2 4.31Å; W684-W688 AromaticContact CH2-CZ3 3.55Å; W684-W688 HydrophobicContact CH2-CZ3 3.55Å; W684-W688 AromaticContact CZ2-CD2 3.63Å; W684-W688 HydrophobicContact CZ2-CD2 3.63Å; W684-W688 AromaticContact CZ2-CE3 3.45Å; W684-W688 HydrophobicContact CZ2-CE3 3.45Å; W684-W688 VanDerWaalsContact CZ2-CE3 3.45Å; W684-W688 HydrophobicContact CZ2-CG 4.19Å; W684-W688 HydrophobicContact CZ2-CH2 4.35Å; W684-W688 AromaticContact CZ2-CZ3 3.82Å; W684-W688 HydrophobicContact CZ2-CZ3 3.82Å; W684-W688 HydrophobicContact CZ3-CE3 4.1Å; W684-W688 HydrophobicContact CZ3-CZ3 4.35Å; W684-W688 AromaticContact NE1-CG 3.99Å; W684-W688 WeakPolarHBondContact O-CB 3.4Å; W684-W688 PolarHBondContact O-N 3.34Å
685	Q	87.4	Confident	80.8	Confident	9 Å²	9	65 Å²	65	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-32.2	-176.7	-64.3	-57.6	-28.6	0	0	112.5	K602 F604 Q610 Y661 D682	K602-Q685 PolarHBondContact O-NE2 3.01Å; F604-Q685 VanDerWaalsContact CD2-OE1 3.26Å; Q610-Q685 PolarHBondContact NE2-O 3.2Å; Y661-Q685 HydrophobicContact CD2-CB 3.89Å; Y661-Q685 HydrophobicContact CG-CB 4.08Å; D682-Q685 HydrophobicContact CB-CB 4.36Å; D682-Q685 PolarHBondContact OD1-N 2.89Å; D682-Q685 WeakPolarHBondContact OD2-CG 3.46Å
686	T	88	Confident	79.3	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-79.3	-34.5	-177.3	-57.2	0	0	0	0	113.1	K658 F660 Y661 D682 W684	K658-T686 WeakPolarHBondContact CE-O 3.41Å; K658-T686 PolarHBondContact NZ-O 3.26Å; F660-T686 HydrophobicContact CD1-CG2 3.63Å; F660-T686 HydrophobicContact CE1-CG2 4.05Å; F660-T686 HydrophobicContact CG-CG2 4.24Å; Y661-T686 PolarHBondContact N-OG1 3.49Å; Y661-T686 PolarHBondContact O-OG1 3.1Å; D682-T686 WeakPolarHBondContact O-CB 3.48Å; D682-T686 PolarHBondContact O-N 3.45Å; D682-T686 PolarHBondContact O-OG1 2.64Å; W684-T686 VanDerWaalsContact C-N 3.28Å; W684-T686 PolarHBondContact O-N 3.07Å
687	W	85.8	Confident	78	Confident	93 Å²	93	76.6 Å²	76.6	35%	0.352	39%	0.393	S	S	.	.	H	α-helix	trans	-117	-16.4	-171.6	-68.5	-91.2	0	0	0	115.9	F660 I681 L683 M689 D690 C691	F660-W687 HydrophobicContact CE1-CZ2 4.24Å; I681-W687 HydrophobicContact CG2-CH2 3.66Å; I681-W687 HydrophobicContact CG2-CZ3 3.56Å; L683-W687 VanDerWaalsContact CA-CE3 3.45Å; L683-W687 HydrophobicContact CB-CE3 4.23Å; L683-W687 HydrophobicContact CB-CZ3 4.26Å; L683-W687 HydrophobicContact CD2-CE3 3.85Å; L683-W687 HydrophobicContact CD2-CH2 3.73Å; L683-W687 HydrophobicContact CD2-CZ3 3.3Å; L683-W687 HydrophobicContact CG-CZ3 4.24Å; L683-W687 VanDerWaalsContact O-CE3 3.28Å; L683-W687 PolarHBondContact O-N 3.45Å; W687-M689 VanDerWaalsContact C-N 3.27Å; W687-M689 PolarHBondContact O-N 2.9Å; W687-M689 VanDerWaalsContact O-N 3.13Å; W687-D690 WeakPolarHBondContact O-CA 3.08Å; W687-D690 WeakPolarHBondContact O-CB 3.1Å; W687-D690 PolarHBondContact O-N 2.81Å; W687-C691 PolarHBondContact O-N 3.42Å; W687-C691 PolarHBondContact O-SG 2.91Å; W687-C691 VanDerWaalsContact O-SG 3.37Å
688	W	82.5	Confident	76.2	Confident	97 Å²	97	81 Å²	81	37%	0.367	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-54.1	-39.6	-175	173.6	-107.1	0	0	0	114	W603 W684 D690 C691	W603-W688 HydrophobicContact CE3-CZ2 4.47Å; W603-W688 HydrophobicContact CH2-CH2 4.4Å; W603-W688 HydrophobicContact CH2-CZ2 4.17Å; W603-W688 HydrophobicContact CZ3-CD2 4.47Å; W603-W688 AromaticContact CZ3-CE2 3.64Å; W603-W688 HydrophobicContact CZ3-CH2 4.15Å; W603-W688 AromaticContact CZ3-CZ2 3.48Å; W603-W688 HydrophobicContact CZ3-CZ2 3.48Å; W603-W688 VanDerWaalsContact CZ3-CZ2 3.48Å; W603-W688 AromaticContact CZ3-NE1 3.84Å; W684-W688 HydrophobicContact CH2-CD2 4.17Å; W684-W688 AromaticContact CH2-CE3 3.48Å; W684-W688 HydrophobicContact CH2-CE3 3.48Å; W684-W688 VanDerWaalsContact CH2-CE3 3.48Å; W684-W688 HydrophobicContact CH2-CH2 4.31Å; W684-W688 AromaticContact CH2-CZ3 3.55Å; W684-W688 HydrophobicContact CH2-CZ3 3.55Å; W684-W688 AromaticContact CZ2-CD2 3.63Å; W684-W688 HydrophobicContact CZ2-CD2 3.63Å; W684-W688 AromaticContact CZ2-CE3 3.45Å; W684-W688 HydrophobicContact CZ2-CE3 3.45Å; W684-W688 VanDerWaalsContact CZ2-CE3 3.45Å; W684-W688 HydrophobicContact CZ2-CG 4.19Å; W684-W688 HydrophobicContact CZ2-CH2 4.35Å; W684-W688 AromaticContact CZ2-CZ3 3.82Å; W684-W688 HydrophobicContact CZ2-CZ3 3.82Å; W684-W688 HydrophobicContact CZ3-CE3 4.1Å; W684-W688 HydrophobicContact CZ3-CZ3 4.35Å; W684-W688 AromaticContact NE1-CG 3.99Å; W684-W688 WeakPolarHBondContact O-CB 3.4Å; W684-W688 PolarHBondContact O-N 3.34Å; W688-D690 VanDerWaalsContact C-N 3.28Å; W688-D690 PolarHBondContact O-N 3.42Å; W688-C691 PolarHBondContact O-N 3.32Å
689	M	78.9	Confident	74.1	Confident	58 Å²	58	88 Å²	88	29%	0.286	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-76.5	-10.4	178.6	-62.9	-171.9	-169.6	0	0	114.4	F604 S606 R607 Q610 W687	F604-M689 HydrophobicContact CB-CE 3.49Å; F604-M689 VanDerWaalsContact CB-CE 3.49Å; S606-M689 VanDerWaalsContact C-CE 3.47Å; S606-M689 WeakPolarHBondContact O-CE 3.29Å; R607-M689 VanDerWaalsContact CA-SD 3.58Å; R607-M689 HydrophobicContact CB-SD 4.04Å; R607-M689 HydrophobicContact CG-CB 4.49Å; R607-M689 HydrophobicContact CG-SD 3.32Å; R607-M689 WeakPolarHBondContact CG-SD 3.32Å; R607-M689 PolarHBondContact N-SD 3.2Å; Q610-M689 HydrophobicContact CB-CE 4.04Å; W687-M689 VanDerWaalsContact C-N 3.27Å; W687-M689 PolarHBondContact O-N 2.9Å; W687-M689 VanDerWaalsContact O-N 3.13Å
690	D	80.3	Confident	72.1	Confident	80 Å²	80	97.4 Å²	97.4	43%	0.428	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-96.1	-14.2	173.9	-69.5	-47.6	0	0	0	112.6	R607 K658 W687 W688 K692	R607-D690 IonicContact CZ-OD1 3.82Å; R607-D690 IonicContact CZ-OD2 3.82Å; R607-D690 IonicContact NH2-OD1 2.78Å; R607-D690 PolarHBondContact NH2-OD1 3.24Å; R607-D690 IonicContact NH2-OD2 3.85Å; R607-D690 PolarHBondContact NH2-OD2 3.31Å; K658-D690 WeakPolarHBondContact CE-OD2 3.24Å; K658-D690 IonicContact NZ-OD2 3.33Å; K658-D690 PolarHBondContact NZ-OD2 3.03Å; W687-D690 WeakPolarHBondContact O-CA 3.08Å; W687-D690 WeakPolarHBondContact O-CB 3.1Å; W687-D690 PolarHBondContact O-N 2.81Å; W688-D690 VanDerWaalsContact C-N 3.28Å; W688-D690 PolarHBondContact O-N 3.42Å; D690-K692 PolarHBondContact O-N 2.98Å
691	C	74.4	Confident	70.1	Confident	79 Å²	79	102.5 Å²	102.5	53%	0.534	51%	0.508	S	S	.	.			trans	-70	111.3	179	-68.6	0	0	0	0	110.8	W687 W688	W687-C691 PolarHBondContact O-N 3.42Å; W687-C691 PolarHBondContact O-SG 2.91Å; W687-C691 VanDerWaalsContact O-SG 3.37Å; W688-C691 PolarHBondContact O-N 3.32Å
692	K	72.6	Confident	68.2	Low	204 Å²	204	109 Å²	109	89%	0.887	54%	0.537	S	S	*	.			trans	-86.4	106.5	161.8	-69.4	-175.7	-179.1	178.2	0	108.6	D690 G694	D690-K692 PolarHBondContact O-N 2.98Å; K692-G694 PolarHBondContact O-N 3.27Å; K692-G694 VanDerWaalsContact O-N 3.16Å
693	V	68.2	Low	66.5	Low	128 Å²	128	113.6 Å²	113.6	78%	0.776	56%	0.564	S	S	*	*			trans	-72.3	106.6	169.8	-176.1	0	0	0	0	107.2
694	G	66.8	Low	65.2	Low	56 Å²	56	117.3 Å²	117.3	58%	0.577	58%	0.584	S	S	*	*			trans	-65	157	176.1	0	0	0	0	0	111.7	K692 C696	K692-G694 PolarHBondContact O-N 3.27Å; K692-G694 VanDerWaalsContact O-N 3.16Å; G694-C696 PolarHBondContact O-N 3.44Å
695	E	61.3	Low	63.7	Low	174 Å²	174	120 Å²	120	81%	0.813	60%	0.604	S	S	*	*			trans	-59.5	109.3	170.1	-67.7	-175.2	165.2	0	0	108.6	F697	E695-F697 PolarHBondContact O-N 2.85Å
696	C	46.9	Very low	62.5	Low	96 Å²	96	126.9 Å²	126.9	65%	0.649	64%	0.641	S	S	*	*			trans	-79.6	108.2	173.2	-166.5	0	0	0	0	107.2	G694 V698	G694-C696 PolarHBondContact O-N 3.44Å; C696-V698 PolarHBondContact O-N 3Å
697	F	52.7	Low	61.1	Low	198 Å²	198	128.8 Å²	128.8	87%	0.868	66%	0.657	S	S	*	*	S	Bend	trans	-64.9	-1.4	171.3	-75.5	-80.4	0	0	0	113.2	E695 E699	E695-F697 PolarHBondContact O-N 2.85Å; F697-E699 PolarHBondContact O-N 3.22Å
698	V	45.4	Very low	59.3	Low	91 Å²	91	132.7 Å²	132.7	55%	0.552	68%	0.683	S	S	*	*			trans	-92.2	93.5	168.3	-169.6	0	0	0	0	108	C696 R700	C696-V698 PolarHBondContact O-N 3Å; V698-R700 HydrophobicContact CG1-CG 3.84Å; V698-R700 PolarHBondContact O-N 3.46Å
699	E	43.7	Very low	58.3	Low	180 Å²	180	130.7 Å²	130.7	84%	0.841	69%	0.692	S	S	*	*			trans	-63.2	94.7	154	-80.4	-172.8	158.3	0	0	107.3	F697 E701	F697-E699 PolarHBondContact O-N 3.22Å; E699-E701 VanDerWaalsContact C-N 3.34Å; E699-E701 PolarHBondContact O-N 3.04Å; E699-E701 VanDerWaalsContact O-N 3.09Å
700	R	44.6	Very low	57.2	Low	207 Å²	207	135.9 Å²	135.9	78%	0.781	72%	0.715	S	S	*	*			trans	-73.3	94.1	163	-83.6	-168.6	172	-177.4	-1.5	107.6	V698 H702	V698-R700 HydrophobicContact CG1-CG 3.84Å; V698-R700 PolarHBondContact O-N 3.46Å; R700-H702 PolarHBondContact O-N 3.13Å
701	E	45.7	Very low	56.2	Low	164 Å²	164	137.3 Å²	137.3	77%	0.766	72%	0.723	S	S	*	*			trans	-63.2	117.8	154.8	-73.5	-168.9	154.8	0	0	107.6	E699 V703	E699-E701 VanDerWaalsContact C-N 3.34Å; E699-E701 PolarHBondContact O-N 3.04Å; E699-E701 VanDerWaalsContact O-N 3.09Å; E701-V703 PolarHBondContact O-N 3.41Å
702	H	45.9	Very low	55	Low	189 Å²	189	138.9 Å²	138.9	88%	0.875	73%	0.73	S	S	*	*			trans	-63.8	91	165.3	-99.9	-90.8	0	0	0	107.9	R700	R700-H702 PolarHBondContact O-N 3.13Å
703	V	54.5	Low	54.1	Low	98 Å²	98	137 Å²	137	59%	0.594	73%	0.729	S	S	*	*			trans	-71.4	139.2	166.7	-156.3	0	0	0	0	107.1	E701 D705	E701-V703 PolarHBondContact O-N 3.41Å; V703-D705 PolarHBondContact O-N 2.83Å
704	L	57.3	Low	53.3	Low	189 Å²	189	136.8 Å²	136.8	99%	0.99	73%	0.73	S	S	*	*	S	Bend	trans	-60.5	-4	-177.5	-81.3	158.5	0	0	0	114.8
705	D	54.4	Low	52.6	Low	127 Å²	127	142.5 Å²	142.5	68%	0.679	74%	0.741	S	S	*	*			trans	-124.1	121.6	-173.4	-167.3	2.6	0	0	0	110.5	V703 A707	V703-D705 PolarHBondContact O-N 2.83Å; D705-A707 PolarHBondContact O-N 3.13Å
706	D	62.5	Low	52.1	Low	153 Å²	153	138.2 Å²	138.2	82%	0.818	74%	0.744	S	S	*	*			trans	-100.5	35.7	-161.7	-134.8	3.9	0	0	0	111.9	I708	D706-I708 PolarHBondContact O-N 3.48Å
707	A	57.9	Low	52.1	Low	43 Å²	43	139.4 Å²	139.4	36%	0.355	74%	0.743	S	S	.	*			trans	-79.5	119	-173.6	0	0	0	0	0	113	D705 G709	D705-A707 PolarHBondContact O-N 3.13Å; A707-G709 PolarHBondContact O-N 3.2Å
708	I	49.8	Very low	51.7	Low	176 Å²	176	139.4 Å²	139.4	90%	0.903	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	123.2	177.3	-62.8	170.5	0	0	0	110.4	D706	D706-I708 PolarHBondContact O-N 3.48Å
709	G	60.3	Low	51.5	Low	55 Å²	55	144.9 Å²	144.9	57%	0.567	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.6	-10	171.6	0	0	0	0	0	115.9	A707	A707-G709 PolarHBondContact O-N 3.2Å
710	H	57	Low	51.3	Low	166 Å²	166	140.2 Å²	140.2	77%	0.769	76%	0.758	S	S	*	*	S	Bend	trans	-90.3	-7	173.7	-79.5	-72.6	0	0	0	114.2
711	N	57.3	Low	50.8	Low	111 Å²	111	139.7 Å²	139.7	59%	0.594	77%	0.765	S	S	*	*	S	Bend	trans	-94.9	11.2	-172.7	-62.5	-20.6	0	0	0	114.4
712	T	49.8	Very low	50.1	Low	112 Å²	112	139.8 Å²	139.8	69%	0.687	77%	0.77	S	S	*	*			trans	-144.1	121.4	-175.6	54.5	0	0	0	0	112.2
713	I	53.6	Low	49.6	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	77%	0.766	S	S	*	*			trans	-95.1	132.2	168.8	-59.3	174.8	0	0	0	108.4
714	P	52.4	Low	48.5	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	78%	0.776	S	S	*	*			trans	-76.6	125.4	-179.6	-9.1	25.2	0	0	0	112.6
715	E	51.2	Low	47.2	Very low	175 Å²	175	136.3 Å²	136.3	82%	0.818	77%	0.767	S	S	*	*			trans	-87.8	102.9	172.1	-69	-174.6	167.3	0	0	110.1	L717	E715-L717 PolarHBondContact O-N 3.21Å; E715-L717 VanDerWaalsContact O-N 3.08Å
716	G	51.8	Low	46	Very low	85 Å²	85	140.1 Å²	140.1	88%	0.876	78%	0.777	S	S	*	*			trans	-76.4	87.4	-177.3	0	0	0	0	0	114
717	L	45.8	Very low	44.6	Very low	120 Å²	120	141.9 Å²	141.9	63%	0.628	78%	0.781	S	S	*	*			trans	-107.5	123.4	168.8	-76.6	162.1	0	0	0	111	E715 Y719	E715-L717 PolarHBondContact O-N 3.21Å; E715-L717 VanDerWaalsContact O-N 3.08Å; L717-Y719 HydrophobicContact CB-CE1 4.31Å; L717-Y719 VanDerWaalsContact O-CE2 3.25Å; L717-Y719 WeakPolarHBondContact O-CE2 3.15Å
718	E	44.2	Very low	43	Very low	199 Å²	199	144.7 Å²	144.7	93%	0.93	80%	0.798	S	S	*	*			trans	-81.7	122.6	174.3	-86.6	-178.4	155.5	0	0	110.8
719	Y	41.2	Very low	42	Very low	206 Å²	206	144.6 Å²	144.6	81%	0.808	80%	0.798	S	S	*	*			trans	-100.2	102.9	174.7	-40.8	-80.3	0	0	0	108.7	L717	L717-Y719 HydrophobicContact CB-CE1 4.31Å; L717-Y719 VanDerWaalsContact O-CE2 3.25Å; L717-Y719 WeakPolarHBondContact O-CE2 3.15Å
720	G	41.3	Very low	40.5	Very low	81 Å²	81	149.4 Å²	149.4	84%	0.835	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.9	162.2	-175	0	0	0	0	0	116
721	E	33.7	Very low	39	Very low	197 Å²	197	147.2 Å²	147.2	92%	0.921	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.9	150.1	-170	-85.4	-176.4	143.7	0	0	116.5
722	L	30.9	Very low	37.5	Very low	166 Å²	166	149.3 Å²	149.3	87%	0.869	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.7	124.2	176.4	-114	139.6	0	0	0	112
723	I	35.7	Very low	36.5	Very low	156 Å²	156	153.4 Å²	153.4	80%	0.8	83%	0.829	S	S	*	*			trans	-109.8	121.4	171.9	-56.5	178.1	0	0	0	110
724	V	31	Very low	35.2	Very low	132 Å²	132	150.1 Å²	150.1	80%	0.8	82%	0.82	S	S	*	*			trans	-113.3	132.3	169.3	-178.8	0	0	0	0	108
725	S	30.2	Very low	33.9	Very low	115 Å²	115	153.7 Å²	153.7	80%	0.804	82%	0.819	S	S	*	*			trans	-133.4	151.5	174.3	84.6	0	0	0	0	113.9
726	K	28	Very low	32.6	Very low	206 Å²	206	152.4 Å²	152.4	90%	0.896	82%	0.818	S	S	*	*			trans	-89.9	154.3	-158.9	-83.4	173.7	171	174.2	0	115.1
727	Q	32.7	Very low	31.4	Very low	190 Å²	190	153.9 Å²	153.9	89%	0.888	81%	0.809	S	S	*	*			trans	-49.2	131.7	160.6	-170.5	175.6	23.3	0	0	114.9
728	S	25.9	Very low	30.4	Very low	103 Å²	103	155.7 Å²	155.7	72%	0.72	82%	0.818	S	S	*	*			trans	167	123.4	137.6	56.2	0	0	0	0	111.7
729	L	27.8	Very low	29.6	Very low	173 Å²	173	156.9 Å²	156.9	91%	0.906	82%	0.816	S	S	*	*			trans	170.7	90.1	134.5	-90	157.1	0	0	0	109.5
730	L	28.3	Very low	28.8	Very low	156 Å²	156	150.9 Å²	150.9	82%	0.817	82%	0.816	S	S	*	*			trans	-74.1	163.7	154.6	-95.3	154.8	0	0	0	109
731	T	25.8	Very low	28.1	Very low	121 Å²	121	153.1 Å²	153.1	74%	0.742	82%	0.818	S	S	*	*			trans	75	95.1	163.6	67.4	0	0	0	0	116.8
732	D	26	Very low	27.6	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	81%	0.806	S	S	*	*				-167.8	155.2	130	-87.6	-26	0	0	0	108.4
733	F	29.2	Very low	27.3	Very low	199 Å²	199	149.1 Å²	149.1	87%	0.873	80%	0.798	S	S	*	*			trans	86.7	52.8	174.5	-79.3	-94.4	0	0	0	119.5
734	S	26.4	Very low	26.9	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	80%	0.795	S	S	*	*			trans	-83.5	140.8	132.4	59.6	0	0	0	0	109.1
735	Y	24.1	Very low	26.8	Very low	198 Å²	198	147.7 Å²	147.7	78%	0.776	79%	0.79	S	S	*	*			trans	127.9	121.5	161.2	-75.5	-73.9	0	0	0	113.9
736	N	24.6	Very low	26.7	Very low	149 Å²	149	145.9 Å²	145.9	80%	0.797	78%	0.777	S	S	*	*			trans	84.2	119.2	174.4	-46	-42.5	0	0	0	112.9
737	V	27.4	Very low	26.9	Very low	115 Å²	115	144.7 Å²	144.7	70%	0.697	78%	0.775	S	S	*	*				-168.5	151	66.1	169.9	0	0	0	0	110.7	Y739	V737-Y739 HydrophobicContact CG1-CD2 3.88Å; V737-Y739 HydrophobicContact CG1-CE2 3.44Å; V737-Y739 VanDerWaalsContact CG1-CE2 3.44Å
738	I	23.4	Very low	27.1	Very low	159 Å²	159	140 Å²	140	82%	0.815	76%	0.763	S	S	*	*			trans	-99.3	136.3	-177	-64.9	160.8	0	0	0	110.3
739	Y	28.4	Very low	27.4	Very low	223 Å²	223	142.5 Å²	142.5	88%	0.875	76%	0.763	S	S	*	*			trans	-145.8	140.6	160.7	-78.4	-73.9	0	0	0	113.2	V737	V737-Y739 HydrophobicContact CG1-CD2 3.88Å; V737-Y739 HydrophobicContact CG1-CE2 3.44Å; V737-Y739 VanDerWaalsContact CG1-CE2 3.44Å
740	G	24.1	Very low	27.6	Very low	80 Å²	80	140.8 Å²	140.8	83%	0.825	75%	0.754	S	S	*	*			trans	-113.5	168.6	-179.7	0	0	0	0	0	113.6
741	C	25.7	Very low	28	Very low	128 Å²	128	139.1 Å²	139.1	87%	0.865	75%	0.751	S	S	*	*			trans	-120.7	144.1	-178	-178.7	0	0	0	0	111.1
742	E	23.6	Very low	28.4	Very low	142 Å²	142	139.2 Å²	139.2	66%	0.664	75%	0.753	S	S	*	*			trans	-110.8	134.4	-176.4	-168.8	173.9	-151.7	0	0	109.5
743	I	25.8	Very low	28.8	Very low	138 Å²	138	137.8 Å²	137.8	71%	0.708	75%	0.745	S	S	*	*			trans	-114	125.5	178.3	-63.4	174.5	0	0	0	109.3	I745	I743-I745 HydrophobicContact CG2-CG1 4.4Å
744	V	26.8	Very low	29	Very low	121 Å²	121	136.7 Å²	136.7	73%	0.733	74%	0.742	S	S	*	*			trans	-106.2	128	178.1	179.8	0	0	0	0	109.6
745	I	28.2	Very low	29.6	Very low	137 Å²	137	139.9 Å²	139.9	70%	0.703	75%	0.752	S	S	*	*			trans	-118.1	130.9	172.2	-52	175.8	0	0	0	108.1	I743	I743-I745 HydrophobicContact CG2-CG1 4.4Å
746	S	28.7	Very low	30	Very low	77 Å²	77	137.3 Å²	137.3	54%	0.538	75%	0.747	S	S	.	*			trans	-80.1	150.1	-175.5	66.9	0	0	0	0	113.7	S748	S746-S748 PolarHBondContact O-N 3.37Å
747	E	32.4	Very low	30.2	Very low	181 Å²	181	134.6 Å²	134.6	85%	0.846	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-61.9	-9.5	-173.6	-78	179.8	140.7	0	0	115.9	Q749	E747-Q749 VanDerWaalsContact C-N 3.3Å; E747-Q749 PolarHBondContact O-N 3.33Å
748	S	36.7	Very low	30.6	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-78.8	-8.7	-176.3	60.6	0	0	0	0	114.5	S746	S746-S748 PolarHBondContact O-N 3.37Å
749	Q	32.4	Very low	31.2	Very low	154 Å²	154	137.7 Å²	137.7	72%	0.72	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-92.2	10.1	-175.6	-62.5	-114.9	-39.3	0	0	114.3	E747	E747-Q749 VanDerWaalsContact C-N 3.3Å; E747-Q749 PolarHBondContact O-N 3.33Å
750	L	32.6	Very low	31.3	Very low	137 Å²	137	135.1 Å²	135.1	72%	0.717	73%	0.732	S	S	*	*			trans	-110.5	23	-168.5	-76.1	168.8	0	0	0	116.2
751	T	35.4	Very low	31.8	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-93.2	143.2	-178.6	42.8	0	0	0	0	114.9
752	P	34.1	Very low	32.2	Very low	123 Å²	123	140.1 Å²	140.1	80%	0.799	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-79.2	140.1	-171.3	-6.8	25	0	0	0	113.5
753	I	35.2	Very low	32.4	Very low	125 Å²	125	137.9 Å²	137.9	64%	0.641	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-87.4	129.3	173.2	-59.1	170.7	0	0	0	109.9
754	E	34.2	Very low	32.8	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	71%	0.71	S	S	*	*	S	Bend	trans	-63.4	139.7	176.9	-145	168.8	-169.1	0	0	111.5
755	N	38.9	Very low	32.9	Very low	162 Å²	162	134.6 Å²	134.6	87%	0.866	70%	0.704	S	S	*	*			trans	95.7	35.4	177.3	-54.1	-38.9	0	0	0	120.5
756	Q	32.3	Very low	32.8	Very low	144 Å²	144	130 Å²	130	67%	0.673	69%	0.69	S	S	*	*			trans	-88.5	141.3	168.4	-81.4	-167	-25.4	0	0	114.1
757	P	28.9	Very low	32.9	Very low	92 Å²	92	134.6 Å²	134.6	60%	0.597	70%	0.696	S	S	*	*			trans	-69.5	142.7	-178.9	25.7	-31.9	0	0	0	114	W759	P757-W759 PolarHBondContact O-N 3.29Å
758	T	35.4	Very low	32.7	Very low	143 Å²	143	130.6 Å²	130.6	88%	0.877	68%	0.683	S	S	*	*	S	Bend	trans	-79.2	30.1	-157.1	50.2	0	0	0	0	117.8
759	W	36.5	Very low	32.3	Very low	196 Å²	196	133.6 Å²	133.6	74%	0.742	69%	0.685	S	S	*	*	S	Bend	trans	-101.6	6	179.3	47.5	-69.7	0	0	0	113.9	P757	P757-W759 PolarHBondContact O-N 3.29Å
760	Y	29.2	Very low	32.2	Very low	169 Å²	169	133.5 Å²	133.5	66%	0.663	69%	0.685	S	S	*	*			trans	-137.8	119.9	172.6	-90	-89.2	0	0	0	111	K762	Y760-K762 VanDerWaalsContact C-N 3.34Å; Y760-K762 PolarHBondContact O-N 3Å
761	D	35.2	Very low	32	Very low	167 Å²	167	134.3 Å²	134.3	89%	0.893	69%	0.69	S	S	*	*	S	Bend	trans	-78.5	-1.8	-175.2	-98	-21.3	0	0	0	115.4
762	K	33.2	Very low	31.6	Very low	147 Å²	147	135.3 Å²	135.3	64%	0.639	69%	0.69	S	S	*	*	S	Bend	trans	-151	147.7	-177	-66	-168.6	-179.9	-176.4	0	113.5	Y760 V764	Y760-K762 VanDerWaalsContact C-N 3.34Å; Y760-K762 PolarHBondContact O-N 3Å; K762-V764 PolarHBondContact O-N 3.44Å
763	P	29.5	Very low	31.1	Very low	95 Å²	95	133 Å²	133	62%	0.617	69%	0.688	S	S	*	*			trans	-62.6	122.1	-178.4	23.5	-31.9	0	0	0	111.9	L765 G766	P763-L765 PolarHBondContact O-N 2.76Å; P763-L765 VanDerWaalsContact O-N 3.17Å; P763-G766 PolarHBondContact O-N 3.15Å
764	V	33.5	Very low	30.7	Very low	72 Å²	72	133.3 Å²	133.3	44%	0.436	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-17	-174.3	174.1	0	0	0	0	113.3	K762	K762-V764 PolarHBondContact O-N 3.44Å
765	L	27.6	Very low	30.3	Very low	118 Å²	118	130.4 Å²	130.4	62%	0.618	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-19.7	179.4	-88.8	136.1	0	0	0	114.4	P763	P763-L765 PolarHBondContact O-N 2.76Å; P763-L765 VanDerWaalsContact O-N 3.17Å
766	G	27.5	Very low	29.6	Very low	39 Å²	39	129.5 Å²	129.5	40%	0.402	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.1	-18.2	-178.2	0	0	0	0	0	115.6	P763 Q770	P763-G766 PolarHBondContact O-N 3.15Å; G766-Q770 WeakPolarHBondContact O-CG 3.29Å; G766-Q770 PolarHBondContact O-OE1 3.37Å
767	R	29.5	Very low	29.4	Very low	175 Å²	175	125.7 Å²	125.7	66%	0.66	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-23.2	-176	-74.6	-169	179.9	-148	0.1	114.5	F769 Q770	R767-F769 PolarHBondContact O-N 3.36Å; R767-Q770 PolarHBondContact O-N 2.92Å
768	V	29.3	Very low	29.4	Very low	97 Å²	97	124 Å²	124	59%	0.588	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-19.4	-179.5	-179.4	0	0	0	0	111.9
769	F	28.8	Very low	28.9	Very low	154 Å²	154	123.9 Å²	123.9	68%	0.675	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-4	178.6	-66.4	-77.6	0	0	0	114.5	R767	R767-F769 PolarHBondContact O-N 3.36Å
770	Q	28.8	Very low	28.5	Very low	152 Å²	152	118.9 Å²	118.9	71%	0.71	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-20.7	178.8	-83.5	-177.4	-19.7	0	0	114	G766 R767 L772	G766-Q770 WeakPolarHBondContact O-CG 3.29Å; G766-Q770 PolarHBondContact O-OE1 3.37Å; R767-Q770 PolarHBondContact O-N 2.92Å; Q770-L772 VanDerWaalsContact C-N 3.33Å
771	D	28.2	Very low	28.4	Very low	155 Å²	155	119.7 Å²	119.7	83%	0.829	67%	0.673	S	S	*	*	S	Bend	trans	-89.4	2.4	174.8	-73.6	-24.3	0	0	0	113.3
772	L	27.5	Very low	28	Very low	141 Å²	141	121.2 Å²	121.2	74%	0.738	67%	0.668	S	S	*	*	S	Bend	trans	-104.7	69.3	166.9	-80.1	161.8	0	0	0	109.2	Q770 L774	Q770-L772 VanDerWaalsContact C-N 3.33Å; L772-L774 VanDerWaalsContact C-N 3.34Å; L772-L774 PolarHBondContact O-N 2.68Å
773	G	25.1	Very low	27.7	Very low	74 Å²	74	120.2 Å²	120.2	76%	0.763	68%	0.679	S	S	*	*			trans	-66.7	84.2	178.2	0	0	0	0	0	113.3
774	L	25.4	Very low	27.6	Very low	132 Å²	132	119.1 Å²	119.1	69%	0.691	69%	0.685	S	S	*	*			trans	-136.6	92	149.4	-96.3	164.1	0	0	0	106.8	L772 L776	L772-L774 VanDerWaalsContact C-N 3.34Å; L772-L774 PolarHBondContact O-N 2.68Å; L774-L776 PolarHBondContact O-N 3.02Å
775	T	25.7	Very low	27.3	Very low	114 Å²	114	126 Å²	126	70%	0.699	70%	0.703	S	S	*	*			trans	-54.3	125.1	172.1	44.1	0	0	0	0	110.1	G777 A778	T775-G777 PolarHBondContact O-N 3.37Å; T775-A778 PolarHBondContact O-N 3.27Å
776	L	25	Very low	27.2	Very low	144 Å²	144	127 Å²	127	75%	0.754	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	17.6	177.3	-138.8	78.7	0	0	0	115.4	L774	L774-L776 PolarHBondContact O-N 3.02Å
777	G	28.4	Very low	27.1	Very low	64 Å²	64	128.8 Å²	128.8	66%	0.66	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	0.3	178.9	0	0	0	0	0	115	T775	T775-G777 PolarHBondContact O-N 3.37Å
778	A	28	Very low	26.9	Very low	56 Å²	56	126 Å²	126	46%	0.463	73%	0.732	S	S	.	*	S	Bend	trans	-107.6	-12	-175.8	0	0	0	0	0	115.2	T775	T775-A778 PolarHBondContact O-N 3.27Å
779	L	26.1	Very low	26.7	Very low	141 Å²	141	124 Å²	124	74%	0.738	73%	0.732	S	S	*	*	S	Bend	trans	-90.8	-11.9	175.6	-95.5	103.5	0	0	0	114.4	K781	L779-K781 VanDerWaalsContact C-N 3.27Å; L779-K781 PolarHBondContact O-N 3.24Å
780	A	26.6	Very low	26.6	Very low	91 Å²	91	123.6 Å²	123.6	75%	0.752	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	19.1	179.2	0	0	0	0	0	114.9
781	K	27.8	Very low	26.5	Very low	185 Å²	185	121.7 Å²	121.7	80%	0.804	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	9.4	-178.5	-95.4	-174.6	179.2	177.5	0	116.6	L779	L779-K781 VanDerWaalsContact C-N 3.27Å; L779-K781 PolarHBondContact O-N 3.24Å
782	Y	27.1	Very low	26.4	Very low	199 Å²	199	119.2 Å²	119.2	78%	0.78	74%	0.74	S	S	*	*			trans	-128.3	17.9	-170.1	-95.2	-83.5	0	0	0	116.8	G784	Y782-G784 VanDerWaalsContact C-N 3.33Å
783	S	26.3	Very low	26.4	Very low	127 Å²	127	117.2 Å²	117.2	89%	0.888	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	7.5	172.4	53.5	0	0	0	0	114.7
784	G	28.3	Very low	26.5	Very low	72 Å²	72	121.6 Å²	121.6	74%	0.742	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	6.8	-174.9	0	0	0	0	0	117.5	Y782	Y782-G784 VanDerWaalsContact C-N 3.33Å
785	R	26.9	Very low	26.5	Very low	215 Å²	215	119 Å²	119	81%	0.811	75%	0.753	S	S	*	*			trans	-136	82.7	176.7	-71	-174.5	85.4	171.5	4.1	112.6
786	V	25.5	Very low	26.6	Very low	141 Å²	141	116.6 Å²	116.6	86%	0.855	75%	0.75	S	S	*	*			trans	-50.1	145	137	174.5	0	0	0	0	109.3
787	A	25.6	Very low	26.6	Very low	76 Å²	76	120.8 Å²	120.8	63%	0.628	76%	0.758	S	S	*	*	S	Bend	trans	81.8	120.7	166.8	0	0	0	0	0	118.2
788	S	24.4	Very low	26.5	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	77%	0.768	S	S	*	*	S	Bend	trans	82.8	100.6	168.1	74	0	0	0	0	117.3
789	G	26.2	Very low	26.5	Very low	56 Å²	56	131.6 Å²	131.6	58%	0.577	79%	0.791	S	S	*	*	S	Bend	trans	167.6	-27.8	165.7	0	0	0	0	0	118.3	S791	G789-S791 PolarHBondContact O-N 2.59Å
790	V	26.4	Very low	26.5	Very low	144 Å²	144	128.4 Å²	128.4	87%	0.873	79%	0.792	S	S	*	*			trans	-104.2	61.9	179.3	-168.2	0	0	0	0	110
791	S	25.9	Very low	26.4	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	79%	0.789	S	S	*	*	S	Bend	trans	-129.1	23.2	171.9	35	0	0	0	0	111.7	G789	G789-S791 PolarHBondContact O-N 2.59Å
792	S	26.7	Very low	26.3	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	79%	0.794	S	S	*	*	S	Bend	trans	-145.9	61.6	178.7	50	0	0	0	0	111.8
793	A	26.9	Very low	26.1	Very low	98 Å²	98	119.9 Å²	119.9	81%	0.81	80%	0.796	S	S	*	*	S	Bend	trans	-169.7	-6.4	155.4	0	0	0	0	0	112.9
794	I	26.8	Very low	26	Very low	167 Å²	167	117.4 Å²	117.4	86%	0.856	79%	0.79	S	S	*	*	S	Bend	trans	-117.6	60.2	171.1	-51.4	176.4	0	0	0	108
795	G	25.5	Very low	25.8	Very low	77 Å²	77	118.6 Å²	118.6	79%	0.794	79%	0.793	S	S	*	*			trans	-131.8	98.1	180	0	0	0	0	0	110
796	G	28.3	Very low	25.6	Very low	63 Å²	63	114.3 Å²	114.3	65%	0.649	79%	0.79	S	S	*	*	S	Bend	trans	123.5	118.6	170.8	0	0	0	0	0	112.7
797	Y	25.8	Very low	25.6	Very low	233 Å²	233	114.8 Å²	114.8	91%	0.914	79%	0.794	S	S	*	*			trans	76.6	96.5	-176.6	-56.6	-86.6	0	0	0	112
798	V	25.7	Very low	25.6	Very low	143 Å²	143	116.2 Å²	116.2	87%	0.867	80%	0.799	S	S	*	*				-149.7	118	64.9	177.9	0	0	0	0	112
799	Q	27.6	Very low	25.6	Very low	204 Å²	204	116 Å²	116	95%	0.953	80%	0.804	S	S	*	*			trans	-153.4	107.8	149.3	-146.3	-177.4	18.2	0	0	108.1
800	G	26.7	Very low	25.6	Very low	74 Å²	74	116.7 Å²	116.7	76%	0.763	81%	0.811	S	S	*	*	S	Bend	trans	164.9	57.3	-179.5	0	0	0	0	0	115.3
801	G	25.2	Very low	25.6	Very low	67 Å²	67	113.9 Å²	113.9	69%	0.691	80%	0.803	S	S	*	*			trans	85.7	120.7	148.7	0	0	0	0	0	118.9
802	V	24.3	Very low	25.7	Very low	150 Å²	150	111 Å²	111	91%	0.909	79%	0.792	S	S	*	*			trans	73	101.9	141.6	-157.7	0	0	0	0	117.8
803	G	23.6	Very low	25.8	Very low	79 Å²	79	110.9 Å²	110.9	81%	0.814	79%	0.786	S	S	*	*			trans	87.4	110.5	132.6	0	0	0	0	0	118.1
804	G	23.6	Very low	25.7	Very low	74 Å²	74	113 Å²	113	76%	0.763	78%	0.783	S	S	*	*			trans	91.9	104.1	144.3	0	0	0	0	0	117
805	A	24.2	Very low	25.8	Very low	97 Å²	97	110.2 Å²	110.2	80%	0.802	77%	0.77	S	S	*	*			trans	63.9	150.7	152.6	0	0	0	0	0	118.4
806	V	22.8	Very low	25.9	Very low	125 Å²	125	109.5 Å²	109.5	76%	0.758	75%	0.753	S	S	*	*			trans	86.1	94.5	167.9	-164	0	0	0	0	116.5
807	T	25.7	Very low	25.9	Very low	151 Å²	151	111.4 Å²	111.4	93%	0.926	75%	0.747	S	S	*	*			trans	-151.7	62.4	137.4	45.5	0	0	0	0	110.4
808	S	24.9	Very low	26	Very low	107 Å²	107	102.2 Å²	102.2	75%	0.748	72%	0.72	S	S	*	*			trans	-98.1	108.7	162.9	52.3	0	0	0	0	108.7
809	A	25.6	Very low	26.2	Very low	110 Å²	110	98.1 Å²	98.1	91%	0.909	69%	0.691	S	S	*	*	S	Bend	trans	164.4	94.7	156.5	0	0	0	0	0	109.1
810	G	25.7	Very low	26.2	Very low	71 Å²	71	92.7 Å²	92.7	73%	0.732	66%	0.663	S	S	*	*	S	Bend	trans	160.8	-25.6	173.6	0	0	0	0	0	115.1
811	A	26.4	Very low	26.3	Very low	85 Å²	85	93 Å²	93	70%	0.702	65%	0.652	S	S	*	*	S	Bend	trans	-94.6	-6.6	-179.7	0	0	0	0	0	114.2
812	G	28.1	Very low	26.4	Very low	53 Å²	53	92.4 Å²	92.4	55%	0.546	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-2.5	-170.4	0	0	0	0	0	116.7	S816	G812-S816 WeakPolarHBondContact O-CB 3.46Å; G812-S816 PolarHBondContact O-OG 3.01Å
813	V	28	Very low	26.7	Very low	100 Å²	100	90.5 Å²	90.5	61%	0.606	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-32.4	-174.9	-177.9	0	0	0	0	112.3	S816 I817	V813-S816 WeakPolarHBondContact CA-OG 3.47Å; V813-S816 PolarHBondContact O-OG 3.36Å; V813-I817 HydrophobicContact CG1-CD1 4.29Å; V813-I817 WeakPolarHBondContact O-CD1 3.48Å; V813-I817 VanDerWaalsContact O-CG1 3.23Å; V813-I817 WeakPolarHBondContact O-CG1 3.46Å; V813-I817 PolarHBondContact O-N 3.49Å
814	L	25.8	Very low	27.2	Very low	143 Å²	143	89.3 Å²	89.3	75%	0.749	59%	0.593	S	S	*	*	H	α-helix	trans	-84.1	-34.3	175.7	-81.4	151.4	0	0	0	111.8	A818	L814-A818 VanDerWaalsContact O-CB 3.24Å; L814-A818 WeakPolarHBondContact O-CB 3.46Å; L814-A818 PolarHBondContact O-N 3.36Å
815	D	28.1	Very low	27.6	Very low	108 Å²	108	90.8 Å²	90.8	58%	0.578	58%	0.58	S	S	*	*	H	α-helix	trans	-68.7	-36.3	172.3	-113.2	9.6	0	0	0	111.7	Q819	D815-Q819 VanDerWaalsContact O-CB 3.29Å; D815-Q819 WeakPolarHBondContact O-CB 3.39Å; D815-Q819 PolarHBondContact O-N 2.96Å; D815-Q819 PolarHBondContact O-OE1 3.06Å
816	S	28	Very low	27.9	Very low	62 Å²	62	90.9 Å²	90.9	43%	0.434	57%	0.567	S	S	.	*	H	α-helix	trans	-72.7	-32.3	177.1	48.2	0	0	0	0	112.7	G812 V813 Y820	G812-S816 WeakPolarHBondContact O-CB 3.46Å; G812-S816 PolarHBondContact O-OG 3.01Å; V813-S816 WeakPolarHBondContact CA-OG 3.47Å; V813-S816 PolarHBondContact O-OG 3.36Å; S816-Y820 WeakPolarHBondContact O-CB 3.2Å; S816-Y820 PolarHBondContact O-N 3.17Å
817	I	27.5	Very low	28.4	Very low	104 Å²	104	89.1 Å²	89.1	53%	0.533	56%	0.557	S	S	.	*	H	α-helix	trans	-76.2	-34.7	174.5	-66	169.3	0	0	0	111.2	V813 S821	V813-I817 HydrophobicContact CG1-CD1 4.29Å; V813-I817 WeakPolarHBondContact O-CD1 3.48Å; V813-I817 VanDerWaalsContact O-CG1 3.23Å; V813-I817 WeakPolarHBondContact O-CG1 3.46Å; V813-I817 PolarHBondContact O-N 3.49Å; I817-S821 WeakPolarHBondContact O-CB 3.5Å; I817-S821 PolarHBondContact O-N 3.37Å; I817-S821 VanDerWaalsContact O-N 3.13Å
818	A	27.6	Very low	28.8	Very low	40 Å²	40	86 Å²	86	33%	0.331	54%	0.541	S	S	.	.	H	α-helix	trans	-68.3	-48.3	172.5	0	0	0	0	0	111.1	L814 Y820 S821 K822	L814-A818 VanDerWaalsContact O-CB 3.24Å; L814-A818 WeakPolarHBondContact O-CB 3.46Å; L814-A818 PolarHBondContact O-N 3.36Å; A818-Y820 VanDerWaalsContact C-N 3.3Å; A818-Y820 PolarHBondContact O-N 2.81Å; A818-S821 PolarHBondContact O-N 2.8Å; A818-K822 WeakPolarHBondContact O-CB 3.32Å; A818-K822 WeakPolarHBondContact O-CG 3.45Å; A818-K822 PolarHBondContact O-N 2.76Å
819	Q	29.9	Very low	29.2	Very low	57 Å²	57	90.8 Å²	90.8	27%	0.266	54%	0.542	S	S	.	.	H	α-helix	trans	-60.2	-38.1	174.6	-121.1	71.9	3.9	0	0	112.4	D815 S821 K822 D823	D815-Q819 VanDerWaalsContact O-CB 3.29Å; D815-Q819 WeakPolarHBondContact O-CB 3.39Å; D815-Q819 PolarHBondContact O-N 2.96Å; D815-Q819 PolarHBondContact O-OE1 3.06Å; Q819-S821 PolarHBondContact O-N 3.27Å; Q819-K822 PolarHBondContact O-N 2.78Å; Q819-D823 WeakPolarHBondContact O-CB 3.44Å; Q819-D823 PolarHBondContact O-N 3.25Å
820	Y	27.8	Very low	29.5	Very low	90 Å²	90	91.7 Å²	91.7	35%	0.353	53%	0.531	S	S	.	.	H	α-helix	trans	-72.2	-28	-179	-148.1	-90.1	0	0	0	113.2	S816 A818 T824 G958	S816-Y820 WeakPolarHBondContact O-CB 3.2Å; S816-Y820 PolarHBondContact O-N 3.17Å; A818-Y820 VanDerWaalsContact C-N 3.3Å; A818-Y820 PolarHBondContact O-N 2.81Å; Y820-T824 PolarHBondContact O-OG1 2.82Å; Y820-G958 WeakPolarHBondContact OH-CA 3.23Å
821	S	28.8	Very low	29.6	Very low	79 Å²	79	94 Å²	94	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-78.2	-35	172.7	-177.9	0	0	0	0	112	I817 A818 Q819 T824	I817-S821 WeakPolarHBondContact O-CB 3.5Å; I817-S821 PolarHBondContact O-N 3.37Å; I817-S821 VanDerWaalsContact O-N 3.13Å; A818-S821 PolarHBondContact O-N 2.8Å; Q819-S821 PolarHBondContact O-N 3.27Å; S821-T824 VanDerWaalsContact CA-OG1 3.25Å; S821-T824 WeakPolarHBondContact CA-OG1 3.19Å; S821-T824 PolarHBondContact O-N 3.03Å; S821-T824 PolarHBondContact O-OG1 3.22Å
822	K	28.8	Very low	29.6	Very low	55 Å²	55	92.9 Å²	92.9	24%	0.239	53%	0.532	C	S	.	.	H	α-helix	trans	-74.3	-24.1	178.1	-79.2	-161.8	167.8	-150.2	0	113.6	F271 L272 T274 A818 Q819 T824	F271-K822 WeakPolarHBondContact CD1-O 3.4Å; F271-K822 WeakPolarHBondContact CE1-O 3.45Å; L272-K822 HydrophobicContact CB-CD 3.96Å; L272-K822 HydrophobicContact CD1-CB 3.4Å; L272-K822 VanDerWaalsContact CD1-CB 3.4Å; L272-K822 HydrophobicContact CD1-CD 3.74Å; L272-K822 HydrophobicContact CD1-CG 3.88Å; L272-K822 HydrophobicContact CD2-CB 3.59Å; L272-K822 HydrophobicContact CD2-CD 3.18Å; L272-K822 VanDerWaalsContact CD2-CE 3.42Å; L272-K822 HydrophobicContact CD2-CG 3.14Å; L272-K822 HydrophobicContact CG-CB 4.04Å; L272-K822 HydrophobicContact CG-CD 3.71Å; L272-K822 HydrophobicContact CG-CG 3.99Å; T274-K822 PolarHBondContact OG1-NZ 3.1Å; A818-K822 WeakPolarHBondContact O-CB 3.32Å; A818-K822 WeakPolarHBondContact O-CG 3.45Å; A818-K822 PolarHBondContact O-N 2.76Å; Q819-K822 PolarHBondContact O-N 2.78Å; K822-T824 VanDerWaalsContact C-N 3.33Å
823	D	30.7	Very low	29.8	Very low	111 Å²	111	94.6 Å²	94.6	59%	0.594	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.5	172.9	-74.3	-18.8	0	0	0	113.4	Q819	Q819-D823 WeakPolarHBondContact O-CB 3.44Å; Q819-D823 PolarHBondContact O-N 3.25Å
824	T	33.6	Very low	29.9	Very low	54 Å²	54	95.9 Å²	95.9	33%	0.331	56%	0.555	S	S	.	*	S	Bend	trans	-102.5	-8.6	-169.9	19	0	0	0	0	117.9	Y820 S821 K822	Y820-T824 PolarHBondContact O-OG1 2.82Å; S821-T824 VanDerWaalsContact CA-OG1 3.25Å; S821-T824 WeakPolarHBondContact CA-OG1 3.19Å; S821-T824 PolarHBondContact O-N 3.03Å; S821-T824 PolarHBondContact O-OG1 3.22Å; K822-T824 VanDerWaalsContact C-N 3.33Å
825	H	30.6	Very low	30.1	Very low	104 Å²	104	93.5 Å²	93.5	48%	0.481	55%	0.551	S	S	.	*			trans	-150.1	70.4	-172.1	-78.7	-71.3	0	0	0	115	F271 T827	F271-H825 WeakPolarHBondContact CE2-O 3.37Å; F271-H825 HydrophobicContact CZ-CB 4.26Å; F271-H825 WeakPolarHBondContact CZ-O 3.32Å; H825-T827 HydrophobicContact CB-CG2 4.17Å; H825-T827 PolarHBondContact O-N 3.23Å
826	D	32.1	Very low	30.2	Very low	99 Å²	99	89.9 Å²	89.9	53%	0.529	54%	0.538	S	S	.	.			trans	-74.5	79.2	160.3	-168.4	6.3	0	0	0	109.6	S828	D826-S828 VanDerWaalsContact C-N 3.28Å; D826-S828 PolarHBondContact OD1-OG 2.94Å
827	T	32.5	Very low	30.4	Very low	89 Å²	89	91 Å²	91	55%	0.546	55%	0.546	S	S	.	.			trans	-88.4	9.5	178.9	48.9	0	0	0	0	113	H825 W840	H825-T827 HydrophobicContact CB-CG2 4.17Å; H825-T827 PolarHBondContact O-N 3.23Å; T827-W840 HydrophobicContact CG2-CH2 4.41Å
828	S	35.1	Very low	30.6	Very low	85 Å²	85	90.9 Å²	90.9	59%	0.594	55%	0.55	S	S	*	*	S	Bend	trans	-84.3	-14.6	-173	69.6	0	0	0	0	114.4	D826	D826-S828 VanDerWaalsContact C-N 3.28Å; D826-S828 PolarHBondContact OD1-OG 2.94Å
829	R	33	Very low	30.8	Very low	208 Å²	208	94.2 Å²	94.2	79%	0.785	56%	0.562	S	S	*	*	S	Bend	trans	-101.4	7.9	-166.6	-54	-173.1	89.2	172.8	7.2	116.3
830	L	30.7	Very low	30.6	Very low	129 Å²	129	96.4 Å²	96.4	68%	0.675	57%	0.568	S	S	*	*			trans	-138.4	27.5	-170.5	-81.7	158.1	0	0	0	114.4	G832 W840	L830-G832 VanDerWaalsContact C-N 3.29Å; L830-G832 PolarHBondContact O-N 3.01Å; L830-W840 HydrophobicContact CD1-CZ2 4.34Å
831	S	28.1	Very low	30.7	Very low	120 Å²	120	94.2 Å²	94.2	84%	0.839	57%	0.568	S	S	*	*			trans	-82.5	70.9	171.8	62.1	0	0	0	0	111.1
832	G	27.4	Very low	30.9	Very low	60 Å²	60	94.5 Å²	94.5	62%	0.619	56%	0.564	S	S	*	*	S	Bend	trans	-174.5	125.2	174.9	0	0	0	0	0	111.1	L830	L830-G832 VanDerWaalsContact C-N 3.29Å; L830-G832 PolarHBondContact O-N 3.01Å
833	A	30.9	Very low	31.2	Very low	90 Å²	90	97.8 Å²	97.8	74%	0.744	58%	0.58	S	S	*	*			trans	81.7	110.9	178.6	0	0	0	0	0	117.1	S835 G836	A833-S835 PolarHBondContact O-N 2.94Å; A833-G836 PolarHBondContact O-N 2.89Å
834	S	30.4	Very low	31.5	Very low	126 Å²	126	96.5 Å²	96.5	88%	0.881	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	23.9	178.5	48.7	0	0	0	0	116.4
835	S	31.4	Very low	31.5	Very low	94 Å²	94	97.9 Å²	97.9	66%	0.657	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-7.2	175.4	-60.4	0	0	0	0	113.7	A833	A833-S835 PolarHBondContact O-N 2.94Å
836	G	30.3	Very low	31.8	Very low	31 Å²	31	97.2 Å²	97.2	32%	0.32	57%	0.574	S	S	.	*	H	α-helix	trans	-77	-15.3	-177.1	0	0	0	0	0	115.9	A833 V838 L839 W840	A833-G836 PolarHBondContact O-N 2.89Å; G836-V838 VanDerWaalsContact C-N 3.35Å; G836-V838 PolarHBondContact O-N 3.07Å; G836-L839 PolarHBondContact O-N 3.45Å; G836-W840 PolarHBondContact O-N 3.09Å
837	S	31.6	Very low	32.1	Very low	86 Å²	86	94.7 Å²	94.7	60%	0.601	57%	0.567	S	S	*	*	H	α-helix	trans	-69.6	-27.9	-176.8	56.9	0	0	0	0	113.9	A841	S837-A841 PolarHBondContact O-N 3.31Å
838	V	32	Very low	32.8	Very low	102 Å²	102	95.3 Å²	95.3	62%	0.618	56%	0.563	S	S	*	*	H	α-helix	trans	-78.4	-32.8	176.8	-177	0	0	0	0	111.6	G836 N842	G836-V838 VanDerWaalsContact C-N 3.35Å; G836-V838 PolarHBondContact O-N 3.07Å; V838-N842 PolarHBondContact O-N 3.35Å
839	L	30.9	Very low	33.2	Very low	109 Å²	109	94.5 Å²	94.5	57%	0.571	56%	0.557	S	S	*	*	H	α-helix	trans	-70	-39.6	173.6	-86	157.2	0	0	0	111.4	G836 N842 Q843	G836-L839 PolarHBondContact O-N 3.45Å; L839-N842 PolarHBondContact O-N 3.32Å; L839-Q843 WeakPolarHBondContact O-CG 3.32Å; L839-Q843 PolarHBondContact O-N 3.2Å
840	W	26	Very low	33.9	Very low	103 Å²	103	88.5 Å²	88.5	39%	0.39	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-40.6	174.9	-97.4	70.7	0	0	0	113.2	T827 L830 G836 N842 Q843 L844	T827-W840 HydrophobicContact CG2-CH2 4.41Å; L830-W840 HydrophobicContact CD1-CZ2 4.34Å; G836-W840 PolarHBondContact O-N 3.09Å; W840-N842 VanDerWaalsContact C-N 3.3Å; W840-N842 PolarHBondContact O-N 2.9Å; W840-Q843 PolarHBondContact O-N 3.45Å; W840-L844 HydrophobicContact CE3-CD1 3.7Å; W840-L844 HydrophobicContact CZ3-CD1 4.12Å; W840-L844 WeakPolarHBondContact O-CB 3.41Å; W840-L844 PolarHBondContact O-N 3.43Å
841	A	30	Very low	34.8	Very low	44 Å²	44	84.6 Å²	84.6	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-32.4	178.3	0	0	0	0	0	113	S837 K845	S837-A841 PolarHBondContact O-N 3.31Å; A841-K845 VanDerWaalsContact O-CB 3.31Å; A841-K845 WeakPolarHBondContact O-CB 3.25Å; A841-K845 WeakPolarHBondContact O-CG 3.45Å; A841-K845 PolarHBondContact O-N 2.87Å
842	N	33.8	Very low	36	Very low	85 Å²	85	84.6 Å²	84.6	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-78.4	-44.6	175.9	-73.9	-20.8	0	0	0	111.5	V838 L839 W840 L844 K845 D846	V838-N842 PolarHBondContact O-N 3.35Å; L839-N842 PolarHBondContact O-N 3.32Å; W840-N842 VanDerWaalsContact C-N 3.3Å; W840-N842 PolarHBondContact O-N 2.9Å; N842-L844 PolarHBondContact O-N 2.96Å; N842-K845 WeakPolarHBondContact O-CB 3.46Å; N842-K845 PolarHBondContact O-N 3.35Å; N842-K845 VanDerWaalsContact O-N 3.14Å; N842-D846 WeakPolarHBondContact O-CB 3.49Å; N842-D846 PolarHBondContact O-N 3.08Å
843	Q	33.7	Very low	37.3	Very low	124 Å²	124	87.2 Å²	87.2	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-37	178	-72.5	-179.1	-22.7	0	0	113	L839 W840 A847	L839-Q843 WeakPolarHBondContact O-CG 3.32Å; L839-Q843 PolarHBondContact O-N 3.2Å; W840-Q843 PolarHBondContact O-N 3.45Å; Q843-A847 WeakPolarHBondContact O-CB 3.32Å; Q843-A847 PolarHBondContact O-N 3.47Å
844	L	37	Very low	38.3	Very low	84 Å²	84	84 Å²	84	44%	0.44	47%	0.467	S	S	.	.	H	α-helix	trans	-68.6	-38.2	171.6	-96.3	151.1	0	0	0	112.5	W840 N842 Q848	W840-L844 HydrophobicContact CE3-CD1 3.7Å; W840-L844 HydrophobicContact CZ3-CD1 4.12Å; W840-L844 WeakPolarHBondContact O-CB 3.41Å; W840-L844 PolarHBondContact O-N 3.43Å; N842-L844 PolarHBondContact O-N 2.96Å; L844-Q848 WeakPolarHBondContact O-CB 3.33Å; L844-Q848 VanDerWaalsContact O-CG 3.28Å; L844-Q848 WeakPolarHBondContact O-CG 3.11Å; L844-Q848 PolarHBondContact O-N 3.39Å
845	K	34.7	Very low	39.4	Very low	84 Å²	84	83.7 Å²	83.7	37%	0.365	45%	0.447	S	S	.	.	H	α-helix	trans	-62.4	-44.8	173.3	-92.6	178.4	175.8	174.1	0	111.2	A841 N842 Q848 C849	A841-K845 VanDerWaalsContact O-CB 3.31Å; A841-K845 WeakPolarHBondContact O-CB 3.25Å; A841-K845 WeakPolarHBondContact O-CG 3.45Å; A841-K845 PolarHBondContact O-N 2.87Å; N842-K845 WeakPolarHBondContact O-CB 3.46Å; N842-K845 PolarHBondContact O-N 3.35Å; N842-K845 VanDerWaalsContact O-N 3.14Å; K845-Q848 PolarHBondContact O-N 3.1Å; K845-C849 WeakPolarHBondContact O-CB 3.27Å; K845-C849 PolarHBondContact O-N 3Å; K845-C849 PolarHBondContact O-SG 3.37Å
846	D	37.4	Very low	40.5	Very low	90 Å²	90	81.5 Å²	81.5	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-46.7	-179.4	-66	-20.8	0	0	0	110.1	N842 Q848 C849 Y850	N842-D846 WeakPolarHBondContact O-CB 3.49Å; N842-D846 PolarHBondContact O-N 3.08Å; D846-Q848 VanDerWaalsContact C-N 3.34Å; D846-Q848 PolarHBondContact O-N 3.01Å; D846-C849 WeakPolarHBondContact O-CB 3.39Å; D846-C849 PolarHBondContact O-N 3.34Å; D846-C849 VanDerWaalsContact O-N 3.16Å; D846-Y850 WeakPolarHBondContact O-CD2 3.32Å; D846-Y850 PolarHBondContact O-N 3.1Å
847	A	38.4	Very low	41.7	Very low	45 Å²	45	84.8 Å²	84.8	37%	0.372	44%	0.442	S	S	.	.	H	α-helix	trans	-59	-41.5	174.8	0	0	0	0	0	112.8	Q843 V851	Q843-A847 WeakPolarHBondContact O-CB 3.32Å; Q843-A847 PolarHBondContact O-N 3.47Å; A847-V851 VanDerWaalsContact O-CG2 3.27Å; A847-V851 WeakPolarHBondContact O-CG2 3.47Å; A847-V851 PolarHBondContact O-N 3.28Å
848	Q	46.4	Very low	42.8	Very low	102 Å²	102	80.9 Å²	80.9	48%	0.477	41%	0.413	S	S	.	.	H	α-helix	trans	-69.8	-35	176.4	-74.6	-178.2	0.8	0	0	112.9	L844 K845 D846 K852	L844-Q848 WeakPolarHBondContact O-CB 3.33Å; L844-Q848 VanDerWaalsContact O-CG 3.28Å; L844-Q848 WeakPolarHBondContact O-CG 3.11Å; L844-Q848 PolarHBondContact O-N 3.39Å; K845-Q848 PolarHBondContact O-N 3.1Å; D846-Q848 VanDerWaalsContact C-N 3.34Å; D846-Q848 PolarHBondContact O-N 3.01Å; Q848-K852 WeakPolarHBondContact O-CB 3.3Å; Q848-K852 VanDerWaalsContact O-CG 3.31Å; Q848-K852 WeakPolarHBondContact O-CG 3.46Å; Q848-K852 PolarHBondContact O-N 3.37Å
849	C	43.8	Very low	43.8	Very low	69 Å²	69	78 Å²	78	47%	0.466	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-45.4	174.1	-78.2	0	0	0	0	111.2	K845 D846 K852 Q853	K845-C849 WeakPolarHBondContact O-CB 3.27Å; K845-C849 PolarHBondContact O-N 3Å; K845-C849 PolarHBondContact O-SG 3.37Å; D846-C849 WeakPolarHBondContact O-CB 3.39Å; D846-C849 PolarHBondContact O-N 3.34Å; D846-C849 VanDerWaalsContact O-N 3.16Å; C849-K852 WeakPolarHBondContact O-CB 3.14Å; C849-K852 PolarHBondContact O-N 3.13Å; C849-Q853 WeakPolarHBondContact O-CG 3.03Å; C849-Q853 PolarHBondContact O-N 3.43Å
850	Y	47.1	Very low	44.9	Very low	82 Å²	82	81.1 Å²	81.1	32%	0.322	41%	0.405	S	S	.	.	H	α-helix	trans	-65.2	-43	177.3	-82.4	-70.9	0	0	0	112.4	D846 K852 Q853 I854 D967	D846-Y850 WeakPolarHBondContact O-CD2 3.32Å; D846-Y850 PolarHBondContact O-N 3.1Å; Y850-K852 VanDerWaalsContact C-N 3.25Å; Y850-K852 PolarHBondContact O-N 3.47Å; Y850-Q853 PolarHBondContact O-N 3.13Å; Y850-Q853 VanDerWaalsContact O-N 3.13Å; Y850-I854 PolarHBondContact O-N 3.34Å; Y850-D967 WeakPolarHBondContact CE1-OD2 3.38Å
851	V	50.2	Low	46.3	Very low	46 Å²	46	76.9 Å²	76.9	28%	0.279	39%	0.391	S	S	.	.	H	α-helix	trans	-60.4	-36.6	173.8	170.7	0	0	0	0	111.5	A847 R855 T964	A847-V851 VanDerWaalsContact O-CG2 3.27Å; A847-V851 WeakPolarHBondContact O-CG2 3.47Å; A847-V851 PolarHBondContact O-N 3.28Å; V851-R855 VanDerWaalsContact O-CB 3.31Å; V851-R855 WeakPolarHBondContact O-CB 3.38Å; V851-R855 PolarHBondContact O-N 3.16Å; V851-T964 HydrophobicContact CG2-CG2 4.43Å
852	K	53.2	Low	47.6	Very low	120 Å²	120	75.6 Å²	75.6	52%	0.522	38%	0.377	S	S	.	.	H	α-helix	trans	-68.2	-40.8	174.2	-79.3	178.4	-179	179.4	0	112.6	Q848 C849 Y850 R855 A856	Q848-K852 WeakPolarHBondContact O-CB 3.3Å; Q848-K852 VanDerWaalsContact O-CG 3.31Å; Q848-K852 WeakPolarHBondContact O-CG 3.46Å; Q848-K852 PolarHBondContact O-N 3.37Å; C849-K852 WeakPolarHBondContact O-CB 3.14Å; C849-K852 PolarHBondContact O-N 3.13Å; Y850-K852 VanDerWaalsContact C-N 3.25Å; Y850-K852 PolarHBondContact O-N 3.47Å; K852-R855 PolarHBondContact O-N 3.41Å; K852-A856 WeakPolarHBondContact O-CB 3.47Å; K852-A856 PolarHBondContact O-N 3.06Å
853	Q	54.1	Low	48.7	Very low	116 Å²	116	75 Å²	75	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-48.7	177.1	-76.3	178.4	-5.1	0	0	110.9	C849 Y850 R855 A856 E857	C849-Q853 WeakPolarHBondContact O-CG 3.03Å; C849-Q853 PolarHBondContact O-N 3.43Å; Y850-Q853 PolarHBondContact O-N 3.13Å; Y850-Q853 VanDerWaalsContact O-N 3.13Å; Q853-R855 PolarHBondContact O-N 3.41Å; Q853-A856 CarbonylContact O-C 3.6Å; Q853-A856 WeakPolarHBondContact O-CA 3.47Å; Q853-A856 WeakPolarHBondContact O-CB 3.32Å; Q853-A856 PolarHBondContact O-N 3.23Å; Q853-E857 PolarHBondContact O-N 3.19Å
854	I	52.7	Low	49.6	Very low	21 Å²	21	75.4 Å²	75.4	11%	0.108	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-40.9	177.5	-63.3	-179	0	0	0	110.5	Y850 A856 E857 Y858 A960 L963 T964	Y850-I854 PolarHBondContact O-N 3.34Å; I854-A856 VanDerWaalsContact C-N 3.27Å; I854-A856 PolarHBondContact O-N 2.74Å; I854-E857 PolarHBondContact O-N 3.22Å; I854-Y858 HydrophobicContact CG2-CD2 3.57Å; I854-Y858 HydrophobicContact CG2-CE2 3.71Å; I854-Y858 WeakPolarHBondContact O-CB 3.45Å; I854-Y858 VanDerWaalsContact O-CD2 3.31Å; I854-Y858 WeakPolarHBondContact O-CD2 3.45Å; I854-Y858 PolarHBondContact O-N 3.44Å; I854-A960 HydrophobicContact CG2-CB 3.66Å; I854-L963 HydrophobicContact CD1-CB 3.79Å; I854-T964 WeakPolarHBondContact CD1-OG1 3.11Å
855	R	52.6	Low	50.4	Low	121 Å²	121	73.7 Å²	73.7	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-38.9	171.2	-95.4	-176.1	162.5	168.3	-2.2	112.6	V851 K852 Q853 A859 Y953	V851-R855 VanDerWaalsContact O-CB 3.31Å; V851-R855 WeakPolarHBondContact O-CB 3.38Å; V851-R855 PolarHBondContact O-N 3.16Å; K852-R855 PolarHBondContact O-N 3.41Å; Q853-R855 PolarHBondContact O-N 3.41Å; R855-A859 WeakPolarHBondContact O-CB 3.24Å; R855-A859 PolarHBondContact O-N 3.46Å; R855-Y953 PolarHBondContact NH2-OH 2.95Å
856	A	54.1	Low	51.6	Low	48 Å²	48	71.5 Å²	71.5	40%	0.397	36%	0.356	S	S	.	.	H	α-helix	trans	-72.3	-40.2	178.9	0	0	0	0	0	111.9	K852 Q853 I854 A859 R860	K852-A856 WeakPolarHBondContact O-CB 3.47Å; K852-A856 PolarHBondContact O-N 3.06Å; Q853-A856 CarbonylContact O-C 3.6Å; Q853-A856 WeakPolarHBondContact O-CA 3.47Å; Q853-A856 WeakPolarHBondContact O-CB 3.32Å; Q853-A856 PolarHBondContact O-N 3.23Å; I854-A856 VanDerWaalsContact C-N 3.27Å; I854-A856 PolarHBondContact O-N 2.74Å; A856-A859 PolarHBondContact O-N 2.78Å; A856-R860 WeakPolarHBondContact O-CG 3.37Å; A856-R860 PolarHBondContact O-N 3.34Å
857	E	55.3	Low	52.6	Low	100 Å²	100	67.8 Å²	67.8	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-50.4	172.7	-74.9	-160.6	157	0	0	110.4	Q853 I854 A859 R860 T861	Q853-E857 PolarHBondContact O-N 3.19Å; I854-E857 PolarHBondContact O-N 3.22Å; E857-A859 VanDerWaalsContact C-N 3.33Å; E857-A859 PolarHBondContact O-N 3.44Å; E857-R860 CarbonylContact O-C 3.59Å; E857-R860 WeakPolarHBondContact O-CA 3.37Å; E857-R860 WeakPolarHBondContact O-CB 3.23Å; E857-R860 PolarHBondContact O-N 3.21Å; E857-T861 PolarHBondContact O-N 3.34Å; E857-T861 PolarHBondContact O-OG1 3.1Å
858	Y	55.6	Low	53.8	Low	3 Å²	3	71.8 Å²	71.8	1%	0.012	35%	0.348	C	S	.	.	H	α-helix	trans	-69.5	-30.4	178.1	-82.3	-81.6	0	0	0	113.2	I854 R860 T861 I862 F956 L963 L1047	I854-Y858 HydrophobicContact CG2-CD2 3.57Å; I854-Y858 HydrophobicContact CG2-CE2 3.71Å; I854-Y858 WeakPolarHBondContact O-CB 3.45Å; I854-Y858 VanDerWaalsContact O-CD2 3.31Å; I854-Y858 WeakPolarHBondContact O-CD2 3.45Å; I854-Y858 PolarHBondContact O-N 3.44Å; Y858-R860 VanDerWaalsContact C-N 3.29Å; Y858-R860 PolarHBondContact O-N 2.87Å; Y858-T861 PolarHBondContact O-N 3.27Å; Y858-I862 WeakPolarHBondContact O-CB 3.5Å; Y858-I862 WeakPolarHBondContact O-CD1 3.27Å; Y858-I862 WeakPolarHBondContact O-CG1 3.2Å; Y858-I862 PolarHBondContact O-N 3.18Å; Y858-F956 AromaticContact CD1-CE1 3.94Å; Y858-F956 HydrophobicContact CD1-CE1 3.94Å; Y858-F956 AromaticContact CD1-CE2 3.31Å; Y858-F956 HydrophobicContact CD1-CE2 3.31Å; Y858-F956 AromaticContact CD1-CZ 2.97Å; Y858-F956 HydrophobicContact CD1-CZ 2.97Å; Y858-F956 AromaticContact CD2-CE1 3.88Å; Y858-F956 HydrophobicContact CD2-CE1 3.88Å; Y858-F956 HydrophobicContact CD2-CE2 4.33Å; Y858-F956 AromaticContact CD2-CZ 3.3Å; Y858-F956 HydrophobicContact CD2-CZ 3.3Å; Y858-F956 HydrophobicContact CE1-CE1 4.43Å; Y858-F956 AromaticContact CE1-CE2 3.19Å; Y858-F956 HydrophobicContact CE1-CE2 3.19Å; Y858-F956 AromaticContact CE1-CZ 3.17Å; Y858-F956 HydrophobicContact CE1-CZ 3.17Å; Y858-F956 HydrophobicContact CE2-CE1 4.38Å; Y858-F956 HydrophobicContact CE2-CE2 4.25Å; Y858-F956 AromaticContact CE2-CZ 3.48Å; Y858-F956 HydrophobicContact CE2-CZ 3.48Å; Y858-F956 VanDerWaalsContact CE2-CZ 3.48Å; Y858-F956 AromaticContact CG-CE1 3.57Å; Y858-F956 HydrophobicContact CG-CE1 3.57Å; Y858-F956 AromaticContact CG-CE2 3.84Å; Y858-F956 HydrophobicContact CG-CE2 3.84Å; Y858-F956 AromaticContact CG-CZ 2.98Å; Y858-F956 HydrophobicContact CG-CZ 2.98Å; Y858-F956 AromaticContact CZ-CE2 3.66Å; Y858-F956 AromaticContact CZ-CZ 3.37Å; Y858-L963 HydrophobicContact CE2-CD1 4.13Å; Y858-L1047 HydrophobicContact CD1-CD1 3.84Å; Y858-L1047 HydrophobicContact CE1-CD1 4.1Å
859	A	53.2	Low	55.1	Low	43 Å²	43	68.2 Å²	68.2	36%	0.355	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-37.7	169.1	0	0	0	0	0	111.4	R855 A856 E857 I862 D863	R855-A859 WeakPolarHBondContact O-CB 3.24Å; R855-A859 PolarHBondContact O-N 3.46Å; A856-A859 PolarHBondContact O-N 2.78Å; E857-A859 VanDerWaalsContact C-N 3.33Å; E857-A859 PolarHBondContact O-N 3.44Å; A859-I862 PolarHBondContact O-N 2.84Å; A859-D863 WeakPolarHBondContact O-CB 3.31Å; A859-D863 PolarHBondContact O-N 3.1Å
860	R	54.5	Low	56.8	Low	173 Å²	173	70.4 Å²	70.4	65%	0.653	34%	0.337	S	S	*	.	H	α-helix	trans	-66.1	-44.6	171.9	-70.3	176.5	-172.2	172.1	2.9	111.6	A856 E857 Y858 I862 D863 Q864	A856-R860 WeakPolarHBondContact O-CG 3.37Å; A856-R860 PolarHBondContact O-N 3.34Å; E857-R860 CarbonylContact O-C 3.59Å; E857-R860 WeakPolarHBondContact O-CA 3.37Å; E857-R860 WeakPolarHBondContact O-CB 3.23Å; E857-R860 PolarHBondContact O-N 3.21Å; Y858-R860 VanDerWaalsContact C-N 3.29Å; Y858-R860 PolarHBondContact O-N 2.87Å; R860-I862 VanDerWaalsContact C-N 3.29Å; R860-I862 PolarHBondContact O-N 3.27Å; R860-D863 PolarHBondContact O-N 2.94Å; R860-Q864 WeakPolarHBondContact O-CB 2.86Å; R860-Q864 VanDerWaalsContact O-CG 3.27Å; R860-Q864 WeakPolarHBondContact O-CG 3.4Å; R860-Q864 PolarHBondContact O-N 3.03Å
861	T	54.6	Low	58.3	Low	15 Å²	15	68.7 Å²	68.7	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-42.5	176.3	-42.7	0	0	0	0	110.3	E857 Y858 Q864 F865 L1047 I1049	E857-T861 PolarHBondContact O-N 3.34Å; E857-T861 PolarHBondContact O-OG1 3.1Å; Y858-T861 PolarHBondContact O-N 3.27Å; T861-Q864 PolarHBondContact O-N 3.45Å; T861-F865 HydrophobicContact CG2-CD2 3.83Å; T861-F865 HydrophobicContact CG2-CE2 4.1Å; T861-F865 WeakPolarHBondContact O-CB 3.24Å; T861-F865 WeakPolarHBondContact O-CD2 3.46Å; T861-F865 PolarHBondContact O-N 3.49Å; T861-L1047 HydrophobicContact CG2-CD1 4.38Å; T861-I1049 HydrophobicContact CG2-CD1 3.28Å
862	I	58.1	Low	59.9	Low	16 Å²	16	67.8 Å²	67.8	8%	0.082	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176.8	-74	166.8	0	0	0	110.6	Y858 A859 R860 Q864 F865 F866 L883 F886 L1047	Y858-I862 WeakPolarHBondContact O-CB 3.5Å; Y858-I862 WeakPolarHBondContact O-CD1 3.27Å; Y858-I862 WeakPolarHBondContact O-CG1 3.2Å; Y858-I862 PolarHBondContact O-N 3.18Å; A859-I862 PolarHBondContact O-N 2.84Å; R860-I862 VanDerWaalsContact C-N 3.29Å; R860-I862 PolarHBondContact O-N 3.27Å; I862-Q864 VanDerWaalsContact C-N 3.28Å; I862-Q864 PolarHBondContact O-N 2.86Å; I862-F865 PolarHBondContact O-N 3.41Å; I862-F866 HydrophobicContact CB-CE2 4.43Å; I862-F866 HydrophobicContact CG2-CD2 3.33Å; I862-F866 HydrophobicContact CG2-CE2 3Å; I862-F866 HydrophobicContact CG2-CZ 4.01Å; I862-F866 WeakPolarHBondContact O-CB 3.07Å; I862-F866 WeakPolarHBondContact O-CD2 2.87Å; I862-F866 PolarHBondContact O-N 3.21Å; I862-L883 HydrophobicContact CG2-CD2 4.2Å; I862-F886 HydrophobicContact CD1-CD1 3.92Å; I862-F886 HydrophobicContact CD1-CE1 3.48Å; I862-F886 VanDerWaalsContact CD1-CE1 3.48Å; I862-F886 HydrophobicContact CD1-CE2 4.5Å; I862-F886 HydrophobicContact CD1-CZ 3.81Å; I862-L1047 HydrophobicContact CG1-CD1 4.23Å; I862-L1047 HydrophobicContact CG1-CD2 4.15Å
863	D	55.9	Low	61.3	Low	74 Å²	74	63 Å²	63	40%	0.396	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-33.7	175.6	-87.6	-20.2	0	0	0	112	A859 R860 R879	A859-D863 WeakPolarHBondContact O-CB 3.31Å; A859-D863 PolarHBondContact O-N 3.1Å; R860-D863 PolarHBondContact O-N 2.94Å; D863-R879 IonicContact OD1-CZ 2.66Å; D863-R879 IonicContact OD1-NE 3.8Å; D863-R879 PolarHBondContact OD1-NE 2.98Å; D863-R879 IonicContact OD1-NH2 3.08Å; D863-R879 PolarHBondContact OD1-NH2 3.17Å; D863-R879 IonicContact OD2-CZ 3.39Å; D863-R879 IonicContact OD2-NH2 3.4Å; D863-R879 PolarHBondContact OD2-NH2 3.49Å
864	Q	52.6	Low	62.5	Low	131 Å²	131	64.4 Å²	64.4	61%	0.612	34%	0.335	S	S	*	.	H	α-helix	trans	-75.8	-30.3	179	-77.6	176.3	-8.8	0	0	113.7	R860 T861 I862	R860-Q864 WeakPolarHBondContact O-CB 2.86Å; R860-Q864 VanDerWaalsContact O-CG 3.27Å; R860-Q864 WeakPolarHBondContact O-CG 3.4Å; R860-Q864 PolarHBondContact O-N 3.03Å; T861-Q864 PolarHBondContact O-N 3.45Å; I862-Q864 VanDerWaalsContact C-N 3.28Å; I862-Q864 PolarHBondContact O-N 2.86Å
865	F	53.1	Low	63.9	Low	49 Å²	49	67.7 Å²	67.7	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-116.1	8.4	-169.8	-70.8	-79.3	0	0	0	113.9	T861 I862 I1049	T861-F865 HydrophobicContact CG2-CD2 3.83Å; T861-F865 HydrophobicContact CG2-CE2 4.1Å; T861-F865 WeakPolarHBondContact O-CB 3.24Å; T861-F865 WeakPolarHBondContact O-CD2 3.46Å; T861-F865 PolarHBondContact O-N 3.49Å; I862-F865 PolarHBondContact O-N 3.41Å; F865-I1049 HydrophobicContact CB-CD1 4.04Å; F865-I1049 HydrophobicContact CB-CG1 4.08Å; F865-I1049 HydrophobicContact CD1-CD1 4.35Å; F865-I1049 HydrophobicContact CD1-CG1 3.93Å; F865-I1049 HydrophobicContact CD2-CD1 3.36Å; F865-I1049 HydrophobicContact CD2-CG1 3.87Å; F865-I1049 HydrophobicContact CE1-CG1 4.3Å; F865-I1049 HydrophobicContact CE1-CG2 4.13Å; F865-I1049 HydrophobicContact CE2-CD1 3.83Å; F865-I1049 HydrophobicContact CE2-CG1 4.27Å; F865-I1049 HydrophobicContact CE2-CG2 4.2Å; F865-I1049 HydrophobicContact CG-CD1 3.66Å; F865-I1049 HydrophobicContact CG-CG1 3.69Å; F865-I1049 HydrophobicContact CZ-CD1 4.48Å; F865-I1049 HydrophobicContact CZ-CG1 4.47Å; F865-I1049 HydrophobicContact CZ-CG2 3.92Å
866	F	60.5	Low	65.1	Low	38 Å²	38	62.3 Å²	62.3	17%	0.167	33%	0.332	C	S	.	.	S	Bend	trans	-67.6	142.4	174.7	-111.2	-60.3	0	0	0	112	I862 M868 A882 L883 F886	I862-F866 HydrophobicContact CB-CE2 4.43Å; I862-F866 HydrophobicContact CG2-CD2 3.33Å; I862-F866 HydrophobicContact CG2-CE2 3Å; I862-F866 HydrophobicContact CG2-CZ 4.01Å; I862-F866 WeakPolarHBondContact O-CB 3.07Å; I862-F866 WeakPolarHBondContact O-CD2 2.87Å; I862-F866 PolarHBondContact O-N 3.21Å; F866-M868 PolarHBondContact O-N 3.31Å; F866-A882 HydrophobicContact CB-CB 4.3Å; F866-A882 HydrophobicContact CD1-CB 3.17Å; F866-A882 HydrophobicContact CD2-CB 3.69Å; F866-A882 HydrophobicContact CE1-CB 3.27Å; F866-A882 VanDerWaalsContact CE1-O 3.24Å; F866-A882 WeakPolarHBondContact CE1-O 3.37Å; F866-A882 HydrophobicContact CE2-CB 3.7Å; F866-A882 HydrophobicContact CG-CB 3.45Å; F866-A882 VanDerWaalsContact CG-CB 3.45Å; F866-A882 HydrophobicContact CZ-CB 3.59Å; F866-A882 WeakPolarHBondContact CZ-O 3.48Å; F866-L883 HydrophobicContact CE2-CD2 4.21Å; F866-L883 HydrophobicContact CE2-CG 4.47Å; F866-F886 HydrophobicContact CZ-CB 3.95Å
867	D	58.7	Low	66.2	Low	12 Å²	12	62.2 Å²	62.2	6%	0.064	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-57	127.7	176.8	-69.5	31.8	0	0	0	110.8	V869 R1083 W1100 F1101 F1102	D867-V869 PolarHBondContact O-N 2.89Å; D867-R1083 IonicContact OD1-NH1 3.88Å; D867-R1083 PolarHBondContact OD1-NH1 3.04Å; D867-R1083 IonicContact OD2-CZ 3.84Å; D867-R1083 IonicContact OD2-NH1 3.49Å; D867-R1083 PolarHBondContact OD2-NH1 3.24Å; D867-W1100 HydrophobicContact CB-CE3 4.26Å; D867-F1101 CarbonylContact C-O 3.59Å; D867-F1101 WeakPolarHBondContact CA-O 3.43Å; D867-F1101 WeakPolarHBondContact CB-O 3.44Å; D867-F1102 WeakPolarHBondContact OD1-CD1 3.4Å; D867-F1102 WeakPolarHBondContact OD1-CD2 3.21Å; D867-F1102 WeakPolarHBondContact OD1-CE1 3.47Å; D867-F1102 WeakPolarHBondContact OD1-CE2 3.2Å; D867-F1102 VanDerWaalsContact OD1-CG 3.28Å; D867-F1102 WeakPolarHBondContact OD1-CG 3.14Å; D867-F1102 WeakPolarHBondContact OD1-CZ 3.3Å; D867-F1102 VanDerWaalsContact OD2-CE2 3.29Å; D867-F1102 WeakPolarHBondContact OD2-CE2 3.46Å
868	M	64	Low	67.1	Low	129 Å²	129	59.5 Å²	59.5	64%	0.635	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	135.2	160.9	-64.2	-172.9	75.6	0	0	107.5	F866 F1101	F866-M868 PolarHBondContact O-N 3.31Å; M868-F1101 HydrophobicContact CB-CD2 4.14Å; M868-F1101 PolarHBondContact N-O 3.01Å; M868-F1101 VanDerWaalsContact O-CD2 3.23Å; M868-F1101 WeakPolarHBondContact O-CD2 3.2Å; M868-F1101 PolarHBondContact O-N 3.02Å
869	V	73	Confident	67.7	Low	27 Å²	27	64.8 Å²	64.8	16%	0.164	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.7	177.5	-169.1	0	0	0	0	107.9	D867 L872 V1098 R1099 W1100	D867-V869 PolarHBondContact O-N 2.89Å; V869-L872 HydrophobicContact CG1-CB 4.02Å; V869-L872 HydrophobicContact CG1-CD1 4.41Å; V869-V1098 HydrophobicContact CG1-CG1 3.33Å; V869-R1099 CarbonylContact C-O 3.5Å; V869-R1099 WeakPolarHBondContact CA-O 3.12Å; V869-W1100 HydrophobicContact CB-CE3 4.34Å; V869-W1100 HydrophobicContact CB-CZ3 4.41Å; V869-W1100 HydrophobicContact CG1-CD2 4.27Å; V869-W1100 HydrophobicContact CG1-CE3 4.2Å; V869-W1100 HydrophobicContact CG1-CH2 4.34Å; V869-W1100 HydrophobicContact CG1-CZ2 4.41Å; V869-W1100 HydrophobicContact CG1-CZ3 4.24Å; V869-W1100 HydrophobicContact CG2-CD2 4.16Å; V869-W1100 HydrophobicContact CG2-CE3 3.32Å; V869-W1100 HydrophobicContact CG2-CH2 4.09Å; V869-W1100 HydrophobicContact CG2-CZ3 3.28Å
870	E	78.9	Confident	69	Low	114 Å²	114	65.4 Å²	65.4	53%	0.533	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.7	171.7	-76.8	177.8	-174.7	0	0	110.1	L872 V1098 R1099 F1101	E870-L872 VanDerWaalsContact C-N 3.33Å; E870-L872 PolarHBondContact O-N 2.67Å; E870-V1098 CarbonylContact O-C 3.57Å; E870-V1098 WeakPolarHBondContact O-CA 3.46Å; E870-R1099 PolarHBondContact N-O 3.11Å; E870-R1099 PolarHBondContact O-N 3.48Å; E870-F1101 HydrophobicContact CB-CE2 3.65Å; E870-F1101 HydrophobicContact CB-CZ 3.93Å; E870-F1101 HydrophobicContact CG-CE2 3.47Å; E870-F1101 VanDerWaalsContact CG-CE2 3.47Å; E870-F1101 HydrophobicContact CG-CZ 3.84Å; E870-F1101 VanDerWaalsContact OE2-CZ 3.24Å; E870-F1101 WeakPolarHBondContact OE2-CZ 3.06Å
871	G	80.6	Confident	70.2	Confident	47 Å²	47	57.2 Å²	57.2	49%	0.485	30%	0.301	S	S	.	.	S	Bend	trans	80.8	7	175.3	0	0	0	0	0	115.4	I1096	G871-I1096 VanDerWaalsContact O-CG2 3.24Å; G871-I1096 WeakPolarHBondContact O-CG2 3.48Å
872	L	82.7	Confident	71.1	Confident	26 Å²	26	57 Å²	57	14%	0.136	30%	0.301	C	S	.	.			trans	-70	138.1	169.6	-158.4	71.5	0	0	0	109.9	V869 E870 A876 A878 L881 F893 V1098	V869-L872 HydrophobicContact CG1-CB 4.02Å; V869-L872 HydrophobicContact CG1-CD1 4.41Å; E870-L872 VanDerWaalsContact C-N 3.33Å; E870-L872 PolarHBondContact O-N 2.67Å; L872-A876 HydrophobicContact CD1-CB 4.44Å; L872-A876 HydrophobicContact CD2-CB 3.83Å; L872-A876 WeakPolarHBondContact CD2-O 2.84Å; L872-A876 HydrophobicContact CG-CB 3.88Å; L872-A878 HydrophobicContact CD2-CB 4.18Å; L872-L881 HydrophobicContact CD1-CD2 4.32Å; L872-L881 HydrophobicContact CD2-CD2 4.01Å; L872-F893 HydrophobicContact CD1-CE2 4.31Å; L872-V1098 HydrophobicContact CD1-CG1 4.38Å; L872-V1098 HydrophobicContact CD1-CG2 4.38Å
873	P	82	Confident	71.8	Confident	19 Å²	19	59.3 Å²	59.3	12%	0.123	31%	0.313	C	S	.	.			trans	-57.5	146.7	174.6	-23.5	33.9	0	0	0	111.8	E875 A876 F893 Y902 I1096	P873-E875 WeakPolarHBondContact CB-OE2 3.25Å; P873-E875 PolarHBondContact O-N 2.86Å; P873-E875 VanDerWaalsContact O-N 3.12Å; P873-A876 PolarHBondContact O-N 2.9Å; P873-F893 HydrophobicContact CG-CZ 4.17Å; P873-Y902 HydrophobicContact CB-CD2 4.07Å; P873-Y902 HydrophobicContact CB-CG 4.35Å; P873-Y902 HydrophobicContact CG-CD2 3.89Å; P873-Y902 HydrophobicContact CG-CG 3.94Å; P873-I1096 HydrophobicContact CG-CD1 3.68Å
874	V	79.6	Confident	72.9	Confident	146 Å²	146	57 Å²	57	89%	0.885	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.9	-175.4	-176.8	0	0	0	0	111.7	A876	V874-A876 VanDerWaalsContact C-N 3.32Å
875	E	82	Confident	74.3	Confident	90 Å²	90	50.8 Å²	50.8	42%	0.421	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.5	178.1	-54.1	83.4	178.8	0	0	112.7	P873 E901	P873-E875 WeakPolarHBondContact CB-OE2 3.25Å; P873-E875 PolarHBondContact O-N 2.86Å; P873-E875 VanDerWaalsContact O-N 3.12Å; E875-E901 HydrophobicContact CB-CB 4.2Å; E875-E901 HydrophobicContact CG-CB 4Å; E875-E901 HydrophobicContact CG-CG 3.94Å
876	A	77.4	Confident	75.4	Confident	9 Å²	9	49 Å²	49	7%	0.074	26%	0.263	C	S	.	.	S	Bend	trans	-95.5	114.9	178.7	0	0	0	0	0	110.8	L872 P873 V874 A878	L872-A876 HydrophobicContact CD1-CB 4.44Å; L872-A876 HydrophobicContact CD2-CB 3.83Å; L872-A876 WeakPolarHBondContact CD2-O 2.84Å; L872-A876 HydrophobicContact CG-CB 3.88Å; P873-A876 PolarHBondContact O-N 2.9Å; V874-A876 VanDerWaalsContact C-N 3.32Å; A876-A878 PolarHBondContact O-N 3.34Å
877	D	77.5	Confident	76	Confident	46 Å²	46	50.6 Å²	50.6	25%	0.246	27%	0.271	C	S	.	.			trans	-74.3	111.9	-179.6	-173.7	-41.9	0	0	0	111.1	R879 W880 L881 L1127	D877-R879 VanDerWaalsContact C-N 3.33Å; D877-R879 PolarHBondContact O-N 3.36Å; D877-R879 WeakPolarHBondContact OD1-CA 3.26Å; D877-R879 WeakPolarHBondContact OD1-CB 3.48Å; D877-R879 PolarHBondContact OD1-N 3.04Å; D877-W880 HydrophobicContact CB-CB 3.79Å; D877-W880 PolarHBondContact O-N 3.29Å; D877-W880 PolarHBondContact OD1-N 2.89Å; D877-L881 WeakPolarHBondContact O-CB 3.49Å; D877-L881 PolarHBondContact O-N 3.31Å; D877-L1127 WeakPolarHBondContact OD2-CD1 3.38Å; D877-L1127 WeakPolarHBondContact OD2-CG 2.99Å
878	A	74.2	Confident	77.1	Confident	43 Å²	43	52.9 Å²	52.9	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-37.3	-179.2	0	0	0	0	0	113.1	L872 A876 A882	L872-A878 HydrophobicContact CD2-CB 4.18Å; A876-A878 PolarHBondContact O-N 3.34Å; A878-A882 VanDerWaalsContact O-CB 3.23Å; A878-A882 WeakPolarHBondContact O-CB 3.43Å; A878-A882 PolarHBondContact O-N 3.15Å
879	R	69.8	Low	78	Confident	114 Å²	114	47 Å²	47	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-72.3	-40.9	179.3	-173.8	-179.1	-174.8	-173.7	2.7	111	D863 D877 A882 L883	D863-R879 IonicContact OD1-CZ 2.66Å; D863-R879 IonicContact OD1-NE 3.8Å; D863-R879 PolarHBondContact OD1-NE 2.98Å; D863-R879 IonicContact OD1-NH2 3.08Å; D863-R879 PolarHBondContact OD1-NH2 3.17Å; D863-R879 IonicContact OD2-CZ 3.39Å; D863-R879 IonicContact OD2-NH2 3.4Å; D863-R879 PolarHBondContact OD2-NH2 3.49Å; D877-R879 VanDerWaalsContact C-N 3.33Å; D877-R879 PolarHBondContact O-N 3.36Å; D877-R879 WeakPolarHBondContact OD1-CA 3.26Å; D877-R879 WeakPolarHBondContact OD1-CB 3.48Å; D877-R879 PolarHBondContact OD1-N 3.04Å; R879-A882 WeakPolarHBondContact O-CB 3.38Å; R879-L883 HydrophobicContact CG-CD1 4.25Å; R879-L883 WeakPolarHBondContact O-CG 3.48Å; R879-L883 PolarHBondContact O-N 3.39Å
880	W	78.6	Confident	78.7	Confident	55 Å²	55	46.7 Å²	46.7	21%	0.208	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-45.6	174.7	-175.3	93.3	0	0	0	111.1	D877 A882 L883 K884 V891 C904	D877-W880 HydrophobicContact CB-CB 3.79Å; D877-W880 PolarHBondContact O-N 3.29Å; D877-W880 PolarHBondContact OD1-N 2.89Å; W880-A882 VanDerWaalsContact C-N 3.35Å; W880-A882 PolarHBondContact O-N 3.46Å; W880-L883 PolarHBondContact O-N 3.47Å; W880-K884 HydrophobicContact CD2-CG 3.83Å; W880-K884 HydrophobicContact CE3-CB 4.42Å; W880-K884 HydrophobicContact CE3-CG 4.14Å; W880-K884 HydrophobicContact CG-CG 4.44Å; W880-K884 HydrophobicContact CH2-CB 4.35Å; W880-K884 HydrophobicContact CH2-CG 3.93Å; W880-K884 HydrophobicContact CZ2-CD 4.4Å; W880-K884 HydrophobicContact CZ2-CG 3.64Å; W880-K884 HydrophobicContact CZ3-CB 4.29Å; W880-K884 HydrophobicContact CZ3-CG 4.17Å; W880-K884 WeakPolarHBondContact O-CB 3.47Å; W880-K884 WeakPolarHBondContact O-CG 3.26Å; W880-K884 PolarHBondContact O-N 2.86Å; W880-V891 HydrophobicContact CZ3-CG1 4.09Å; W880-C904 HydrophobicContact CE3-CB 4.25Å; W880-C904 WeakPolarHBondContact CH2-O 3.5Å; W880-C904 HydrophobicContact CZ3-CB 3.8Å; W880-C904 WeakPolarHBondContact CZ3-O 3.33Å
881	L	81.1	Confident	79.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-48.7	177.8	176.2	58.6	0	0	0	110.9	L872 D877 K884 L885 V891 C904 I943 W1100	L872-L881 HydrophobicContact CD1-CD2 4.32Å; L872-L881 HydrophobicContact CD2-CD2 4.01Å; D877-L881 WeakPolarHBondContact O-CB 3.49Å; D877-L881 PolarHBondContact O-N 3.31Å; L881-K884 PolarHBondContact O-N 2.81Å; L881-L885 HydrophobicContact CD1-CD1 3.91Å; L881-L885 HydrophobicContact CD1-CG 4.04Å; L881-L885 HydrophobicContact CG-CD1 3.96Å; L881-L885 WeakPolarHBondContact O-CB 3.33Å; L881-L885 VanDerWaalsContact O-CG 3.22Å; L881-L885 WeakPolarHBondContact O-CG 3.23Å; L881-L885 PolarHBondContact O-N 3.04Å; L881-V891 HydrophobicContact CD1-CB 3.97Å; L881-V891 HydrophobicContact CD1-CG1 3.86Å; L881-V891 HydrophobicContact CD1-CG2 4.3Å; L881-C904 HydrophobicContact CD1-CB 4.22Å; L881-I943 HydrophobicContact CD1-CD1 4.2Å; L881-I943 HydrophobicContact CD2-CD1 4.21Å; L881-W1100 HydrophobicContact CD2-CH2 3.8Å; L881-W1100 HydrophobicContact CD2-CZ3 4.47Å
882	A	73.8	Confident	79.7	Confident	10 Å²	10	39 Å²	39	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-50.6	-63.6	172.7	0	0	0	0	0	112	F866 A878 R879 W880 K884 L885 F886	F866-A882 HydrophobicContact CB-CB 4.3Å; F866-A882 HydrophobicContact CD1-CB 3.17Å; F866-A882 HydrophobicContact CD2-CB 3.69Å; F866-A882 HydrophobicContact CE1-CB 3.27Å; F866-A882 VanDerWaalsContact CE1-O 3.24Å; F866-A882 WeakPolarHBondContact CE1-O 3.37Å; F866-A882 HydrophobicContact CE2-CB 3.7Å; F866-A882 HydrophobicContact CG-CB 3.45Å; F866-A882 VanDerWaalsContact CG-CB 3.45Å; F866-A882 HydrophobicContact CZ-CB 3.59Å; F866-A882 WeakPolarHBondContact CZ-O 3.48Å; A878-A882 VanDerWaalsContact O-CB 3.23Å; A878-A882 WeakPolarHBondContact O-CB 3.43Å; A878-A882 PolarHBondContact O-N 3.15Å; R879-A882 WeakPolarHBondContact O-CB 3.38Å; W880-A882 VanDerWaalsContact C-N 3.35Å; W880-A882 PolarHBondContact O-N 3.46Å; A882-K884 VanDerWaalsContact C-N 3.27Å; A882-K884 PolarHBondContact O-N 3.48Å; A882-L885 PolarHBondContact O-N 2.72Å; A882-L885 VanDerWaalsContact O-N 3.12Å; A882-F886 PolarHBondContact O-N 2.93Å; A882-F886 VanDerWaalsContact O-N 3.13Å
883	L	72.8	Confident	80.2	Confident	66 Å²	66	37.8 Å²	37.8	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-56.9	-39.9	-177.2	-72.8	168.1	0	0	0	112.7	I862 F866 R879 W880 F886 E887	I862-L883 HydrophobicContact CG2-CD2 4.2Å; F866-L883 HydrophobicContact CE2-CD2 4.21Å; F866-L883 HydrophobicContact CE2-CG 4.47Å; R879-L883 HydrophobicContact CG-CD1 4.25Å; R879-L883 WeakPolarHBondContact O-CG 3.48Å; R879-L883 PolarHBondContact O-N 3.39Å; W880-L883 PolarHBondContact O-N 3.47Å; L883-F886 PolarHBondContact O-N 3.43Å; L883-E887 WeakPolarHBondContact O-CB 3.4Å; L883-E887 PolarHBondContact O-N 3.29Å
884	K	79	Confident	80.6	Confident	26 Å²	26	36.9 Å²	36.9	11%	0.113	19%	0.194	C	C	.	.	H	α-helix	trans	-74.8	-30.5	179.2	-70	-57.3	-176.3	-174.4	0	113.9	W880 L881 A882 F886 E887 L888 V891	W880-K884 HydrophobicContact CD2-CG 3.83Å; W880-K884 HydrophobicContact CE3-CB 4.42Å; W880-K884 HydrophobicContact CE3-CG 4.14Å; W880-K884 HydrophobicContact CG-CG 4.44Å; W880-K884 HydrophobicContact CH2-CB 4.35Å; W880-K884 HydrophobicContact CH2-CG 3.93Å; W880-K884 HydrophobicContact CZ2-CD 4.4Å; W880-K884 HydrophobicContact CZ2-CG 3.64Å; W880-K884 HydrophobicContact CZ3-CB 4.29Å; W880-K884 HydrophobicContact CZ3-CG 4.17Å; W880-K884 WeakPolarHBondContact O-CB 3.47Å; W880-K884 WeakPolarHBondContact O-CG 3.26Å; W880-K884 PolarHBondContact O-N 2.86Å; L881-K884 PolarHBondContact O-N 2.81Å; A882-K884 VanDerWaalsContact C-N 3.27Å; A882-K884 PolarHBondContact O-N 3.48Å; K884-F886 VanDerWaalsContact C-N 3.31Å; K884-E887 WeakPolarHBondContact CD-OE2 3.29Å; K884-E887 IonicContact NZ-OE1 2.74Å; K884-E887 IonicContact NZ-OE2 3.26Å; K884-E887 PolarHBondContact NZ-OE2 2.79Å; K884-E887 PolarHBondContact O-N 3.35Å; K884-L888 HydrophobicContact CB-CD1 4.33Å; K884-L888 HydrophobicContact CD-CD1 4.11Å; K884-L888 HydrophobicContact CD-CG 4.37Å; K884-L888 WeakPolarHBondContact O-CA 3.46Å; K884-L888 VanDerWaalsContact O-CB 3.23Å; K884-L888 WeakPolarHBondContact O-CB 3.27Å; K884-L888 PolarHBondContact O-N 3.07Å; K884-V891 HydrophobicContact CB-CG2 3.91Å
885	L	81	Confident	81.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-41.8	169.2	-75.9	168.7	0	0	0	110.8	L881 A882 G889 V891 I943 D945 W1100	L881-L885 HydrophobicContact CD1-CD1 3.91Å; L881-L885 HydrophobicContact CD1-CG 4.04Å; L881-L885 HydrophobicContact CG-CD1 3.96Å; L881-L885 WeakPolarHBondContact O-CB 3.33Å; L881-L885 VanDerWaalsContact O-CG 3.22Å; L881-L885 WeakPolarHBondContact O-CG 3.23Å; L881-L885 PolarHBondContact O-N 3.04Å; A882-L885 PolarHBondContact O-N 2.72Å; A882-L885 VanDerWaalsContact O-N 3.12Å; L885-G889 WeakPolarHBondContact O-CA 3.43Å; L885-G889 PolarHBondContact O-N 2.88Å; L885-V891 HydrophobicContact CD2-CB 4.1Å; L885-V891 HydrophobicContact CD2-CG2 3.96Å; L885-V891 HydrophobicContact CG-CG2 4.09Å; L885-I943 HydrophobicContact CD1-CG2 3.88Å; L885-I943 HydrophobicContact CD2-CB 4.09Å; L885-I943 HydrophobicContact CD2-CG2 3.86Å; L885-I943 WeakPolarHBondContact CD2-O 3.27Å; L885-D945 HydrophobicContact CB-CB 4.49Å; L885-D945 WeakPolarHBondContact O-CB 3.35Å; L885-W1100 HydrophobicContact CD1-CH2 4.48Å
886	F	75.3	Confident	81.4	Confident	11 Å²	11	30.9 Å²	30.9	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-45.7	175.7	179.4	-108.8	0	0	0	112.6	I862 F866 A882 L883 K884 N951 Y953 F956 L1047	I862-F886 HydrophobicContact CD1-CD1 3.92Å; I862-F886 HydrophobicContact CD1-CE1 3.48Å; I862-F886 VanDerWaalsContact CD1-CE1 3.48Å; I862-F886 HydrophobicContact CD1-CE2 4.5Å; I862-F886 HydrophobicContact CD1-CZ 3.81Å; F866-F886 HydrophobicContact CZ-CB 3.95Å; A882-F886 PolarHBondContact O-N 2.93Å; A882-F886 VanDerWaalsContact O-N 3.13Å; L883-F886 PolarHBondContact O-N 3.43Å; K884-F886 VanDerWaalsContact C-N 3.31Å; F886-N951 PolarHBondContact O-OD1 2.78Å; F886-Y953 AromaticContact CD1-CD2 3.99Å; F886-Y953 HydrophobicContact CD1-CD2 3.99Å; F886-Y953 AromaticContact CE1-CD2 3.6Å; F886-Y953 HydrophobicContact CE1-CD2 3.6Å; F886-Y953 HydrophobicContact CE1-CE2 4.27Å; F886-Y953 HydrophobicContact CZ-CD2 4.35Å; F886-Y953 WeakPolarHBondContact O-CB 3.17Å; F886-F956 HydrophobicContact CE1-CD1 4.49Å; F886-F956 HydrophobicContact CZ-CB 3.86Å; F886-F956 HydrophobicContact CZ-CD1 4.04Å; F886-F956 HydrophobicContact CZ-CD2 4.14Å; F886-F956 AromaticContact CZ-CG 3.65Å; F886-F956 HydrophobicContact CZ-CG 3.65Å; F886-L1047 HydrophobicContact CD2-CD2 4.39Å; F886-L1047 HydrophobicContact CE2-CD2 3.71Å; F886-L1047 HydrophobicContact CZ-CD2 4.23Å
887	E	74.7	Confident	81.7	Confident	71 Å²	71	37.2 Å²	37.2	33%	0.332	18%	0.181	S	C	.	.	H	α-helix	trans	-73.7	-39.7	-176.2	-172.5	-175.4	-177.9	0	0	113.7	L883 K884 N951 Y953	L883-E887 WeakPolarHBondContact O-CB 3.4Å; L883-E887 PolarHBondContact O-N 3.29Å; K884-E887 WeakPolarHBondContact CD-OE2 3.29Å; K884-E887 IonicContact NZ-OE1 2.74Å; K884-E887 IonicContact NZ-OE2 3.26Å; K884-E887 PolarHBondContact NZ-OE2 2.79Å; K884-E887 PolarHBondContact O-N 3.35Å; E887-N951 PolarHBondContact O-ND2 3.45Å; E887-Y953 HydrophobicContact CG-CD1 4.33Å; E887-Y953 HydrophobicContact CG-CE1 4.21Å
888	L	80.6	Confident	81.9	Confident	61 Å²	61	41.1 Å²	41.1	32%	0.319	20%	0.202	S	C	.	.	H	α-helix	trans	-102.5	-18.2	-173.9	-56.9	177	0	0	0	113.1	K884 S890 Q906	K884-L888 HydrophobicContact CB-CD1 4.33Å; K884-L888 HydrophobicContact CD-CD1 4.11Å; K884-L888 HydrophobicContact CD-CG 4.37Å; K884-L888 WeakPolarHBondContact O-CA 3.46Å; K884-L888 VanDerWaalsContact O-CB 3.23Å; K884-L888 WeakPolarHBondContact O-CB 3.27Å; K884-L888 PolarHBondContact O-N 3.07Å; L888-S890 PolarHBondContact O-N 3.31Å; L888-Q906 HydrophobicContact CD1-CB 3.6Å
889	G	83.9	Confident	82.2	Confident	6 Å²	6	41.9 Å²	41.9	6%	0.062	21%	0.208	C	C	.	.	S	Bend	trans	79.9	-18.3	-175.7	0	0	0	0	0	114.8	L885 D945	L885-G889 WeakPolarHBondContact O-CA 3.43Å; L885-G889 PolarHBondContact O-N 2.88Å; G889-D945 PolarHBondContact O-N 3.29Å
890	S	88	Confident	82.8	Confident	20 Å²	20	38.4 Å²	38.4	14%	0.14	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	146	179.8	58.9	0	0	0	0	112.4	L888 Y907 I943	L888-S890 PolarHBondContact O-N 3.31Å; S890-Y907 WeakPolarHBondContact OG-CE1 3.32Å; S890-Y907 PolarHBondContact OG-OH 2.81Å; S890-I943 VanDerWaalsContact CA-O 3.26Å; S890-I943 WeakPolarHBondContact CA-O 3.28Å
891	V	89.4	Confident	83.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.8	177.8	177.8	0	0	0	0	109.3	W880 L881 K884 L885 C904 M905 I943	W880-V891 HydrophobicContact CZ3-CG1 4.09Å; L881-V891 HydrophobicContact CD1-CB 3.97Å; L881-V891 HydrophobicContact CD1-CG1 3.86Å; L881-V891 HydrophobicContact CD1-CG2 4.3Å; K884-V891 HydrophobicContact CB-CG2 3.91Å; L885-V891 HydrophobicContact CD2-CB 4.1Å; L885-V891 HydrophobicContact CD2-CG2 3.96Å; L885-V891 HydrophobicContact CG-CG2 4.09Å; V891-C904 HydrophobicContact CG1-CB 3.91Å; V891-M905 WeakPolarHBondContact CG1-O 3.36Å; V891-I943 PolarHBondContact N-O 2.86Å; V891-I943 PolarHBondContact O-N 3.4Å
892	A	90.9	Very high	83.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.3	175.5	0	0	0	0	0	110.6	C904 M905 Y907 I922 V924	A892-C904 CarbonylContact O-C 3.5Å; A892-C904 WeakPolarHBondContact O-CA 3.48Å; A892-M905 PolarHBondContact N-O 3.34Å; A892-M905 PolarHBondContact O-N 3.22Å; A892-Y907 HydrophobicContact CB-CD1 3.77Å; A892-Y907 HydrophobicContact CB-CG 4.17Å; A892-I922 HydrophobicContact CB-CD1 3.59Å; A892-V924 HydrophobicContact CB-CG1 3.86Å
893	F	91.9	Very high	84.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.1	171	-177.6	-92.3	0	0	0	109.4	L872 P873 Y902 A903 F940 V941 I943 I1090 F1094 I1096	L872-F893 HydrophobicContact CD1-CE2 4.31Å; P873-F893 HydrophobicContact CG-CZ 4.17Å; F893-Y902 AromaticContact CE1-CD1 3.87Å; F893-Y902 HydrophobicContact CE1-CD1 3.87Å; F893-Y902 HydrophobicContact CE1-CE1 4.43Å; F893-Y902 AromaticContact CZ-CD1 3.67Å; F893-Y902 HydrophobicContact CZ-CD1 3.67Å; F893-Y902 HydrophobicContact CZ-CG 4.06Å; F893-A903 WeakPolarHBondContact CA-O 3.42Å; F893-F940 CarbonylContact O-C 3.57Å; F893-F940 WeakPolarHBondContact O-CA 3.28Å; F893-V941 PolarHBondContact N-O 3.16Å; F893-V941 PolarHBondContact O-N 3.46Å; F893-I943 HydrophobicContact CB-CD1 4.1Å; F893-I943 HydrophobicContact CB-CG1 4.45Å; F893-I1090 HydrophobicContact CD1-CD1 4.19Å; F893-I1090 HydrophobicContact CD1-CG1 3.91Å; F893-I1090 HydrophobicContact CD1-CG2 4.4Å; F893-I1090 HydrophobicContact CE1-CG1 4.34Å; F893-I1090 HydrophobicContact CE1-CG2 4Å; F893-I1090 HydrophobicContact CG-CD1 4.28Å; F893-I1090 HydrophobicContact CG-CG1 4.43Å; F893-F1094 AromaticContact CD1-CD2 3.69Å; F893-F1094 HydrophobicContact CD1-CD2 3.69Å; F893-F1094 AromaticContact CD1-CE2 3.59Å; F893-F1094 HydrophobicContact CD1-CE2 3.59Å; F893-F1094 HydrophobicContact CD1-CZ 4.44Å; F893-F1094 AromaticContact CE1-CD2 3.57Å; F893-F1094 HydrophobicContact CE1-CD2 3.57Å; F893-F1094 AromaticContact CE1-CE2 3.91Å; F893-F1094 HydrophobicContact CE1-CE2 3.91Å; F893-F1094 HydrophobicContact CE1-CG 4.1Å; F893-I1096 HydrophobicContact CE1-CD1 4.18Å; F893-I1096 HydrophobicContact CZ-CD1 3.91Å
894	F	91.4	Very high	84.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	166.2	-179.9	68.5	-75.7	0	0	0	111.7	D896 Y902 A903 M905 V924 Y931 L935 Q939 F940	F894-D896 HydrophobicContact CD2-CB 4.27Å; F894-D896 HydrophobicContact CE2-CB 3.62Å; F894-D896 HydrophobicContact CZ-CB 4.36Å; F894-Y902 WeakPolarHBondContact O-CA 3.35Å; F894-A903 HydrophobicContact CD1-CB 4.48Å; F894-A903 HydrophobicContact CE1-CB 3.89Å; F894-A903 HydrophobicContact CZ-CB 3.9Å; F894-A903 PolarHBondContact N-O 3.02Å; F894-A903 PolarHBondContact O-N 2.93Å; F894-M905 HydrophobicContact CE1-CB 4.06Å; F894-M905 HydrophobicContact CE1-CG 3.84Å; F894-M905 HydrophobicContact CE1-SD 3.93Å; F894-M905 HydrophobicContact CZ-CG 4.25Å; F894-M905 HydrophobicContact CZ-SD 3.74Å; F894-V924 HydrophobicContact CD1-CG1 4.12Å; F894-V924 HydrophobicContact CE1-CB 4.14Å; F894-V924 HydrophobicContact CE1-CG1 3.89Å; F894-V924 HydrophobicContact CE1-CG2 3.97Å; F894-V924 HydrophobicContact CE2-CG2 4.32Å; F894-V924 HydrophobicContact CZ-CB 4.4Å; F894-V924 HydrophobicContact CZ-CG2 3.77Å; F894-Y931 HydrophobicContact CZ-CE1 4.44Å; F894-L935 HydrophobicContact CB-CD1 3.67Å; F894-L935 HydrophobicContact CD1-CD1 3.85Å; F894-L935 HydrophobicContact CD2-CD1 3.66Å; F894-L935 HydrophobicContact CD2-CD2 4.2Å; F894-L935 HydrophobicContact CE1-CD1 4.42Å; F894-L935 HydrophobicContact CE2-CD1 4.24Å; F894-L935 HydrophobicContact CG-CD1 3.44Å; F894-L935 VanDerWaalsContact CG-CD1 3.44Å; F894-Q939 WeakPolarHBondContact CB-O 3.39Å; F894-F940 HydrophobicContact CB-CB 4.26Å
895	Y	90.7	Very high	85.3	Confident	98 Å²	98	39.3 Å²	39.3	38%	0.384	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.2	168	-175.8	-100.2	0	0	0	108.9	E897 Y902	Y895-E897 HydrophobicContact CD1-CG 4.24Å; Y895-E897 HydrophobicContact CE1-CG 4.42Å; Y895-E897 PolarHBondContact O-N 3.41Å; Y895-Y902 AromaticContact CD2-CD1 3.85Å; Y895-Y902 HydrophobicContact CD2-CD1 3.85Å; Y895-Y902 AromaticContact CD2-CD2 4Å; Y895-Y902 HydrophobicContact CD2-CD2 4Å; Y895-Y902 AromaticContact CD2-CE1 3.69Å; Y895-Y902 HydrophobicContact CD2-CE1 3.69Å; Y895-Y902 AromaticContact CD2-CE2 3.83Å; Y895-Y902 HydrophobicContact CD2-CE2 3.83Å; Y895-Y902 HydrophobicContact CD2-CG 4.01Å; Y895-Y902 AromaticContact CD2-CZ 3.67Å; Y895-Y902 HydrophobicContact CE2-CD2 4.41Å; Y895-Y902 HydrophobicContact CE2-CE2 4.15Å; Y895-Y902 HydrophobicContact CG-CD1 4.45Å; Y895-Y902 HydrophobicContact CG-CE1 4.21Å
896	D	87.3	Confident	85.7	Confident	11 Å²	11	40.2 Å²	40.2	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	104.4	176.1	-171.2	7	0	0	0	110.4	F894 D898 A899 G900 E901 Y931 K933	F894-D896 HydrophobicContact CD2-CB 4.27Å; F894-D896 HydrophobicContact CE2-CB 3.62Å; F894-D896 HydrophobicContact CZ-CB 4.36Å; D896-D898 PolarHBondContact O-N 2.94Å; D896-D898 PolarHBondContact OD1-N 3.3Å; D896-A899 HydrophobicContact CB-CB 4.12Å; D896-A899 PolarHBondContact O-N 2.96Å; D896-G900 WeakPolarHBondContact O-CA 3.27Å; D896-G900 PolarHBondContact O-N 2.85Å; D896-E901 PolarHBondContact N-O 3.37Å; D896-E901 PolarHBondContact O-N 3.01Å; D896-Y931 PolarHBondContact OD1-OH 3.06Å; D896-Y931 VanDerWaalsContact OD2-CZ 3.31Å; D896-Y931 PolarHBondContact OD2-OH 3.13Å; D896-K933 IonicContact OD1-NZ 3.94Å; D896-K933 PolarHBondContact OD1-NZ 3.41Å
897	E	84.4	Confident	86.4	Confident	143 Å²	143	41.5 Å²	41.5	67%	0.668	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.7	175.3	-64.1	-179.4	-178.1	0	0	113.4	Y895	Y895-E897 HydrophobicContact CD1-CG 4.24Å; Y895-E897 HydrophobicContact CE1-CG 4.42Å; Y895-E897 PolarHBondContact O-N 3.41Å
898	D	80.5	Confident	86.9	Confident	127 Å²	127	42.6 Å²	42.6	68%	0.679	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-36.4	-177.6	-61.7	-47.9	0	0	0	111.7	D896 K933	D896-D898 PolarHBondContact O-N 2.94Å; D896-D898 PolarHBondContact OD1-N 3.3Å; D898-K933 IonicContact OD2-NZ 2.65Å; D898-K933 PolarHBondContact OD2-NZ 2.82Å
899	A	80.8	Confident	86.7	Confident	59 Å²	59	42 Å²	42	49%	0.488	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-20.8	175.9	0	0	0	0	0	113.1	D896 E901	D896-A899 HydrophobicContact CB-CB 4.12Å; D896-A899 PolarHBondContact O-N 2.96Å; A899-E901 VanDerWaalsContact C-N 3.33Å; A899-E901 HydrophobicContact CB-CB 4.49Å
900	G	83	Confident	85.9	Confident	42 Å²	42	46.8 Å²	46.8	43%	0.433	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	26.1	-173.5	0	0	0	0	0	113.6	D896	D896-G900 WeakPolarHBondContact O-CA 3.27Å; D896-G900 PolarHBondContact O-N 2.85Å
901	E	87.5	Confident	84.5	Confident	51 Å²	51	49.6 Å²	49.6	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.4	-170.7	-65.8	-177.2	-176.6	0	0	111.6	E875 D896 A899 R1134	E875-E901 HydrophobicContact CB-CB 4.2Å; E875-E901 HydrophobicContact CG-CB 4Å; E875-E901 HydrophobicContact CG-CG 3.94Å; D896-E901 PolarHBondContact N-O 3.37Å; D896-E901 PolarHBondContact O-N 3.01Å; A899-E901 VanDerWaalsContact C-N 3.33Å; A899-E901 HydrophobicContact CB-CB 4.49Å; E901-R1134 IonicContact OE1-CZ 3.09Å; E901-R1134 IonicContact OE1-NH1 2.64Å; E901-R1134 IonicContact OE1-NH2 3.59Å; E901-R1134 PolarHBondContact OE1-NH2 3.43Å; E901-R1134 IonicContact OE2-CZ 2.73Å; E901-R1134 IonicContact OE2-NH1 3.18Å; E901-R1134 PolarHBondContact OE2-NH1 3.36Å; E901-R1134 IonicContact OE2-NH2 3.58Å; E901-R1134 PolarHBondContact OE2-NH2 3.29Å
902	Y	88.2	Confident	83.7	Confident	59 Å²	59	53.6 Å²	53.6	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.6	168.4	-68.1	-83.1	0	0	0	110.2	P873 F893 F894 Y895 F1094 I1096	P873-Y902 HydrophobicContact CB-CD2 4.07Å; P873-Y902 HydrophobicContact CB-CG 4.35Å; P873-Y902 HydrophobicContact CG-CD2 3.89Å; P873-Y902 HydrophobicContact CG-CG 3.94Å; F893-Y902 AromaticContact CE1-CD1 3.87Å; F893-Y902 HydrophobicContact CE1-CD1 3.87Å; F893-Y902 HydrophobicContact CE1-CE1 4.43Å; F893-Y902 AromaticContact CZ-CD1 3.67Å; F893-Y902 HydrophobicContact CZ-CD1 3.67Å; F893-Y902 HydrophobicContact CZ-CG 4.06Å; F894-Y902 WeakPolarHBondContact O-CA 3.35Å; Y895-Y902 AromaticContact CD2-CD1 3.85Å; Y895-Y902 HydrophobicContact CD2-CD1 3.85Å; Y895-Y902 AromaticContact CD2-CD2 4Å; Y895-Y902 HydrophobicContact CD2-CD2 4Å; Y895-Y902 AromaticContact CD2-CE1 3.69Å; Y895-Y902 HydrophobicContact CD2-CE1 3.69Å; Y895-Y902 AromaticContact CD2-CE2 3.83Å; Y895-Y902 HydrophobicContact CD2-CE2 3.83Å; Y895-Y902 HydrophobicContact CD2-CG 4.01Å; Y895-Y902 AromaticContact CD2-CZ 3.67Å; Y895-Y902 HydrophobicContact CE2-CD2 4.41Å; Y895-Y902 HydrophobicContact CE2-CE2 4.15Å; Y895-Y902 HydrophobicContact CG-CD1 4.45Å; Y895-Y902 HydrophobicContact CG-CE1 4.21Å; Y902-F1094 HydrophobicContact CE1-CB 3.96Å; Y902-F1094 AromaticContact CE1-CD1 3.8Å; Y902-F1094 HydrophobicContact CE1-CD1 3.8Å; Y902-F1094 HydrophobicContact CE1-CG 4.01Å; Y902-I1096 HydrophobicContact CD1-CD1 3.81Å; Y902-I1096 HydrophobicContact CD2-CD1 4.17Å; Y902-I1096 HydrophobicContact CE1-CD1 3.48Å; Y902-I1096 VanDerWaalsContact CE1-CD1 3.48Å; Y902-I1096 HydrophobicContact CE2-CD1 3.88Å; Y902-I1096 HydrophobicContact CG-CD1 4.14Å
903	A	86.4	Confident	83.2	Confident	23 Å²	23	59.1 Å²	59.1	19%	0.19	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.7	-176.9	0	0	0	0	0	112.1	F893 F894 M905	F893-A903 WeakPolarHBondContact CA-O 3.42Å; F894-A903 HydrophobicContact CD1-CB 4.48Å; F894-A903 HydrophobicContact CE1-CB 3.89Å; F894-A903 HydrophobicContact CZ-CB 3.9Å; F894-A903 PolarHBondContact N-O 3.02Å; F894-A903 PolarHBondContact O-N 2.93Å; A903-M905 HydrophobicContact CB-CG 4.37Å
904	C	87.9	Confident	82.6	Confident	15 Å²	15	61 Å²	61	10%	0.101	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.6	165.3	-66.1	0	0	0	0	108.4	W880 L881 V891 A892	W880-C904 HydrophobicContact CE3-CB 4.25Å; W880-C904 WeakPolarHBondContact CH2-O 3.5Å; W880-C904 HydrophobicContact CZ3-CB 3.8Å; W880-C904 WeakPolarHBondContact CZ3-O 3.33Å; L881-C904 HydrophobicContact CD1-CB 4.22Å; V891-C904 HydrophobicContact CG1-CB 3.91Å; A892-C904 CarbonylContact O-C 3.5Å; A892-C904 WeakPolarHBondContact O-CA 3.48Å
905	M	88.6	Confident	82.1	Confident	29 Å²	29	65.1 Å²	65.1	14%	0.143	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.9	-179.8	-60.6	-171	83.9	0	0	112.3	V891 A892 F894 A903 V924 S926 Y931	V891-M905 WeakPolarHBondContact CG1-O 3.36Å; A892-M905 PolarHBondContact N-O 3.34Å; A892-M905 PolarHBondContact O-N 3.22Å; F894-M905 HydrophobicContact CE1-CB 4.06Å; F894-M905 HydrophobicContact CE1-CG 3.84Å; F894-M905 HydrophobicContact CE1-SD 3.93Å; F894-M905 HydrophobicContact CZ-CG 4.25Å; F894-M905 HydrophobicContact CZ-SD 3.74Å; A903-M905 HydrophobicContact CB-CG 4.37Å; M905-V924 HydrophobicContact CB-CB 4.18Å; M905-V924 HydrophobicContact CB-CG1 4.46Å; M905-S926 VanDerWaalsContact CE-CB 3.4Å; M905-Y931 HydrophobicContact CE-CD1 3.64Å; M905-Y931 HydrophobicContact CE-CE1 4.28Å; M905-Y931 HydrophobicContact CE-CG 4.35Å; M905-Y931 HydrophobicContact SD-CD1 3.76Å; M905-Y931 HydrophobicContact SD-CE1 3.77Å
906	Q	89	Confident	81.5	Confident	19 Å²	19	70 Å²	70	9%	0.089	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	149.6	167.6	61.8	-173.3	51.4	0	0	110.3	L888 V924 Y925	L888-Q906 HydrophobicContact CD1-CB 3.6Å; Q906-V924 WeakPolarHBondContact O-CA 3.09Å; Q906-Y925 HydrophobicContact CB-CE1 4.46Å; Q906-Y925 HydrophobicContact CG-CD1 4.19Å; Q906-Y925 HydrophobicContact CG-CE1 3.92Å; Q906-Y925 HydrophobicContact CG-CE2 4.34Å; Q906-Y925 HydrophobicContact CG-CG 4.49Å; Q906-Y925 WeakPolarHBondContact CG-O 3.07Å; Q906-Y925 PolarHBondContact NE2-OH 3.28Å; Q906-Y925 PolarHBondContact O-N 3.49Å
907	Y	89.4	Confident	80.9	Confident	37 Å²	37	71.3 Å²	71.3	15%	0.145	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157	-174.2	73.2	-86.8	0	0	0	112.2	S890 A892 I922 T923 I942 W944	S890-Y907 WeakPolarHBondContact OG-CE1 3.32Å; S890-Y907 PolarHBondContact OG-OH 2.81Å; A892-Y907 HydrophobicContact CB-CD1 3.77Å; A892-Y907 HydrophobicContact CB-CG 4.17Å; Y907-I922 HydrophobicContact CD2-CB 3.9Å; Y907-I922 HydrophobicContact CD2-CD1 4.41Å; Y907-I922 HydrophobicContact CD2-CG2 3.63Å; Y907-I922 HydrophobicContact CE2-CG2 4.03Å; Y907-I922 HydrophobicContact CG-CB 4.38Å; Y907-I922 HydrophobicContact CG-CD1 4.19Å; Y907-I922 HydrophobicContact CG-CG2 4.44Å; Y907-T923 CarbonylContact C-O 3.37Å; Y907-T923 VanDerWaalsContact CA-O 3.24Å; Y907-T923 WeakPolarHBondContact CA-O 3.18Å; Y907-I942 HydrophobicContact CE1-CD1 4.28Å; Y907-I942 HydrophobicContact CE1-CG1 4.14Å; Y907-I942 HydrophobicContact CE1-CG2 3.96Å; Y907-I942 HydrophobicContact CE2-CD1 3.96Å; Y907-W944 WeakPolarHBondContact OH-CH2 3.34Å
908	L	85.2	Confident	80.8	Confident	94 Å²	94	66 Å²	66	49%	0.492	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	168	-75.7	149.2	0	0	0	108.4	I922 T923 Y925	L908-I922 WeakPolarHBondContact O-CA 3.47Å; L908-T923 PolarHBondContact N-O 2.9Å; L908-T923 PolarHBondContact O-N 2.91Å; L908-Y925 HydrophobicContact CD1-CD1 3.74Å; L908-Y925 HydrophobicContact CD1-CE1 3.61Å; L908-Y925 HydrophobicContact CD1-CG 4.37Å; L908-Y925 HydrophobicContact CG-CD1 4.07Å; L908-Y925 HydrophobicContact CG-CE1 3.63Å
909	S	77	Confident	81	Confident	48 Å²	48	60.4 Å²	60.4	34%	0.336	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.8	173.5	-179.8	0	0	0	0	110.4	F913 P919	S909-F913 VanDerWaalsContact OG-CE1 3.29Å; S909-F913 WeakPolarHBondContact OG-CE1 3.34Å; S909-F913 WeakPolarHBondContact OG-CZ 3.44Å; S909-P919 WeakPolarHBondContact OG-CB 3.24Å
910	M	66.9	Low	81.3	Confident	107 Å²	107	59.2 Å²	59.2	53%	0.527	36%	0.356	S	S	.	.			trans	-117.1	106.7	-179.2	-79	-98.8	-57.3	0	0	111.5	V912 K921	M910-V912 VanDerWaalsContact C-N 3.28Å; M910-V912 PolarHBondContact O-N 2.83Å; M910-K921 PolarHBondContact N-O 2.82Å
911	G	59.1	Low	81.5	Confident	79 Å²	79	60.5 Å²	60.5	81%	0.814	35%	0.35	S	S	*	.	S	Bend	trans	69.4	-17	148.7	0	0	0	0	0	120.3
912	V	71.3	Confident	81.6	Confident	84 Å²	84	58.1 Å²	58.1	51%	0.509	34%	0.339	S	S	.	.			trans	-139.8	118.7	-180	-172.7	0	0	0	0	109.9	M910 T920	M910-V912 VanDerWaalsContact C-N 3.28Å; M910-V912 PolarHBondContact O-N 2.83Å; V912-T920 WeakPolarHBondContact CB-OG1 3.41Å; V912-T920 HydrophobicContact CG1-CG2 4.19Å; V912-T920 WeakPolarHBondContact CG1-OG1 3.48Å; V912-T920 PolarHBondContact O-N 3.46Å; V912-T920 PolarHBondContact O-OG1 2.91Å; V912-T920 VanDerWaalsContact O-OG1 3.12Å
913	F	80.8	Confident	81.7	Confident	117 Å²	117	55.9 Å²	55.9	51%	0.513	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-109	149.5	170.5	-63.9	-86.8	0	0	0	108.9	S909 G917 N918 P919	S909-F913 VanDerWaalsContact OG-CE1 3.29Å; S909-F913 WeakPolarHBondContact OG-CE1 3.34Å; S909-F913 WeakPolarHBondContact OG-CZ 3.44Å; F913-G917 VanDerWaalsContact CD1-O 3.27Å; F913-G917 WeakPolarHBondContact CD1-O 3.45Å; F913-N918 CarbonylContact C-O 3.55Å; F913-N918 VanDerWaalsContact CA-O 3.27Å; F913-N918 WeakPolarHBondContact CA-O 3.32Å; F913-P919 HydrophobicContact CD1-CB 4.25Å; F913-P919 HydrophobicContact CE1-CB 4.19Å
914	D	80.3	Confident	81.9	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.214	32%	0.322	C	S	.	.			trans	-73.1	175.1	166.6	69.2	16.4	0	0	0	111.3	Y916 G917 N918 T920 K937	D914-Y916 PolarHBondContact O-N 3.37Å; D914-Y916 WeakPolarHBondContact OD1-CA 3.48Å; D914-Y916 PolarHBondContact OD1-N 2.91Å; D914-G917 PolarHBondContact O-N 3.33Å; D914-G917 PolarHBondContact OD1-N 3.37Å; D914-N918 PolarHBondContact N-O 3.13Å; D914-N918 WeakPolarHBondContact OD1-CB 3.39Å; D914-N918 PolarHBondContact OD1-N 2.75Å; D914-N918 PolarHBondContact OD1-ND2 3.42Å; D914-N918 WeakPolarHBondContact OD2-CB 3.46Å; D914-N918 PolarHBondContact OD2-ND2 3.33Å; D914-T920 HydrophobicContact CB-CG2 4.26Å; D914-K937 IonicContact OD2-NZ 3.12Å
915	G	79.3	Confident	81.8	Confident	86 Å²	86	57.6 Å²	57.6	89%	0.887	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.9	-179.8	0	0	0	0	0	115.2
916	Y	78.3	Confident	81.4	Confident	201 Å²	201	56.8 Å²	56.8	79%	0.788	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	8	176.4	-56.8	-72.4	0	0	0	112.6	D914 N918	D914-Y916 PolarHBondContact O-N 3.37Å; D914-Y916 WeakPolarHBondContact OD1-CA 3.48Å; D914-Y916 PolarHBondContact OD1-N 2.91Å; Y916-N918 VanDerWaalsContact C-N 3.35Å
917	G	76.4	Confident	80.6	Confident	38 Å²	38	59 Å²	59	39%	0.392	34%	0.344	S	S	.	.	S	Bend	trans	76.3	16.6	-179.9	0	0	0	0	0	114.3	F913 D914	F913-G917 VanDerWaalsContact CD1-O 3.27Å; F913-G917 WeakPolarHBondContact CD1-O 3.45Å; D914-G917 PolarHBondContact O-N 3.33Å; D914-G917 PolarHBondContact OD1-N 3.37Å
918	N	82	Confident	79.9	Confident	32 Å²	32	64.7 Å²	64.7	17%	0.171	37%	0.365	C	S	.	.			trans	-84.7	134.5	171.9	-48.4	-57	0	0	0	109.6	F913 D914 Y916 T920 R949	F913-N918 CarbonylContact C-O 3.55Å; F913-N918 VanDerWaalsContact CA-O 3.27Å; F913-N918 WeakPolarHBondContact CA-O 3.32Å; D914-N918 PolarHBondContact N-O 3.13Å; D914-N918 WeakPolarHBondContact OD1-CB 3.39Å; D914-N918 PolarHBondContact OD1-N 2.75Å; D914-N918 PolarHBondContact OD1-ND2 3.42Å; D914-N918 WeakPolarHBondContact OD2-CB 3.46Å; D914-N918 PolarHBondContact OD2-ND2 3.33Å; Y916-N918 VanDerWaalsContact C-N 3.35Å; N918-T920 PolarHBondContact O-N 3.07Å; N918-R949 VanDerWaalsContact OD1-CZ 3.23Å; N918-R949 PolarHBondContact OD1-NH1 2.56Å; N918-R949 PolarHBondContact OD1-NH2 3.28Å
919	P	84.8	Confident	79.5	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.058	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-65.8	133.3	179.1	29	-35.2	0	0	0	110.2	S909 F913 I922 F940 I942	S909-P919 WeakPolarHBondContact OG-CB 3.24Å; F913-P919 HydrophobicContact CD1-CB 4.25Å; F913-P919 HydrophobicContact CE1-CB 4.19Å; P919-I922 HydrophobicContact CB-CG2 3.74Å; P919-I922 HydrophobicContact CG-CG2 3.71Å; P919-F940 HydrophobicContact CG-CE2 4.49Å; P919-F940 WeakPolarHBondContact O-CZ 3.39Å; P919-I942 HydrophobicContact CG-CD1 3.22Å
920	T	85.3	Confident	79.3	Confident	34 Å²	34	69.3 Å²	69.3	21%	0.209	38%	0.384	C	S	.	.	S	Bend	trans	-88.5	-11.9	172.8	65.1	0	0	0	0	112.2	V912 D914 N918 K937	V912-T920 WeakPolarHBondContact CB-OG1 3.41Å; V912-T920 HydrophobicContact CG1-CG2 4.19Å; V912-T920 WeakPolarHBondContact CG1-OG1 3.48Å; V912-T920 PolarHBondContact O-N 3.46Å; V912-T920 PolarHBondContact O-OG1 2.91Å; V912-T920 VanDerWaalsContact O-OG1 3.12Å; D914-T920 HydrophobicContact CB-CG2 4.26Å; N918-T920 PolarHBondContact O-N 3.07Å; T920-K937 HydrophobicContact CG2-CD 4.45Å; T920-K937 WeakPolarHBondContact O-CB 3.39Å; T920-K937 PolarHBondContact O-N 3.25Å
921	K	88.4	Confident	80.1	Confident	69 Å²	69	67 Å²	67	30%	0.3	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	128.8	-179.8	-170.7	165.6	-171.7	145	0	109.4	M910 V934 L935 E936	M910-K921 PolarHBondContact N-O 2.82Å; K921-V934 HydrophobicContact CD-CG1 4.22Å; K921-V934 HydrophobicContact CG-CG1 3.99Å; K921-L935 WeakPolarHBondContact CA-O 3.4Å; K921-E936 IonicContact NZ-OE1 2.66Å; K921-E936 PolarHBondContact NZ-OE1 3.15Å
922	I	90.1	Very high	81.3	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.7	177.9	65.1	170.2	0	0	0	110.5	A892 Y907 L908 P919 V924 V934 L935 F940 I942	A892-I922 HydrophobicContact CB-CD1 3.59Å; Y907-I922 HydrophobicContact CD2-CB 3.9Å; Y907-I922 HydrophobicContact CD2-CD1 4.41Å; Y907-I922 HydrophobicContact CD2-CG2 3.63Å; Y907-I922 HydrophobicContact CE2-CG2 4.03Å; Y907-I922 HydrophobicContact CG-CB 4.38Å; Y907-I922 HydrophobicContact CG-CD1 4.19Å; Y907-I922 HydrophobicContact CG-CG2 4.44Å; L908-I922 WeakPolarHBondContact O-CA 3.47Å; P919-I922 HydrophobicContact CB-CG2 3.74Å; P919-I922 HydrophobicContact CG-CG2 3.71Å; I922-V924 HydrophobicContact CD1-CG1 4.03Å; I922-V934 WeakPolarHBondContact O-CA 3.33Å; I922-L935 HydrophobicContact CD1-CD1 4.42Å; I922-L935 HydrophobicContact CG1-CB 4Å; I922-L935 PolarHBondContact N-O 3Å; I922-L935 PolarHBondContact O-N 3.1Å; I922-F940 HydrophobicContact CB-CZ 4.44Å; I922-F940 HydrophobicContact CD1-CB 3.89Å; I922-F940 HydrophobicContact CD1-CD1 3.86Å; I922-F940 HydrophobicContact CD1-CD2 3.45Å; I922-F940 VanDerWaalsContact CD1-CD2 3.45Å; I922-F940 HydrophobicContact CD1-CE1 4.22Å; I922-F940 HydrophobicContact CD1-CE2 3.86Å; I922-F940 HydrophobicContact CD1-CG 3.44Å; I922-F940 VanDerWaalsContact CD1-CG 3.44Å; I922-F940 HydrophobicContact CD1-CZ 4.22Å; I922-F940 HydrophobicContact CG1-CD1 3.73Å; I922-F940 HydrophobicContact CG1-CD2 4.09Å; I922-F940 HydrophobicContact CG1-CE1 3.77Å; I922-F940 HydrophobicContact CG1-CE2 4.15Å; I922-F940 HydrophobicContact CG1-CG 3.88Å; I922-F940 HydrophobicContact CG1-CZ 3.99Å; I922-F940 HydrophobicContact CG2-CE1 4.34Å; I922-F940 HydrophobicContact CG2-CE2 3.94Å; I922-F940 HydrophobicContact CG2-CZ 3.77Å; I922-I942 HydrophobicContact CG2-CD1 4.4Å
923	T	89.5	Confident	82.1	Confident	12 Å²	12	65.9 Å²	65.9	7%	0.074	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	105.8	170.7	-58.9	0	0	0	0	107.8	Y907 L908 N932 K933 V934	Y907-T923 CarbonylContact C-O 3.37Å; Y907-T923 VanDerWaalsContact CA-O 3.24Å; Y907-T923 WeakPolarHBondContact CA-O 3.18Å; L908-T923 PolarHBondContact N-O 2.9Å; L908-T923 PolarHBondContact O-N 2.91Å; T923-N932 WeakPolarHBondContact CG2-OD1 3.39Å; T923-K933 CarbonylContact C-O 3.51Å; T923-K933 WeakPolarHBondContact CA-O 3.47Å; T923-V934 HydrophobicContact CG2-CG2 4.33Å
924	V	89.7	Confident	82.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137	172.8	-67.9	0	0	0	0	108.9	A892 F894 M905 Q906 I922 Y931 N932 K933 L935	A892-V924 HydrophobicContact CB-CG1 3.86Å; F894-V924 HydrophobicContact CD1-CG1 4.12Å; F894-V924 HydrophobicContact CE1-CB 4.14Å; F894-V924 HydrophobicContact CE1-CG1 3.89Å; F894-V924 HydrophobicContact CE1-CG2 3.97Å; F894-V924 HydrophobicContact CE2-CG2 4.32Å; F894-V924 HydrophobicContact CZ-CB 4.4Å; F894-V924 HydrophobicContact CZ-CG2 3.77Å; M905-V924 HydrophobicContact CB-CB 4.18Å; M905-V924 HydrophobicContact CB-CG1 4.46Å; Q906-V924 WeakPolarHBondContact O-CA 3.09Å; I922-V924 HydrophobicContact CD1-CG1 4.03Å; V924-Y931 HydrophobicContact CG2-CE1 4.18Å; V924-N932 VanDerWaalsContact O-CA 3.29Å; V924-N932 WeakPolarHBondContact O-CA 3.34Å; V924-K933 HydrophobicContact CG2-CB 3.8Å; V924-K933 VanDerWaalsContact CG2-O 3.28Å; V924-K933 WeakPolarHBondContact CG2-O 3.35Å; V924-K933 PolarHBondContact N-O 2.86Å; V924-K933 PolarHBondContact O-N 3.46Å; V924-L935 HydrophobicContact CG1-CD1 3.74Å; V924-L935 HydrophobicContact CG2-CD1 4Å; V924-L935 HydrophobicContact CG2-CG 4.34Å
925	Y	86.1	Confident	82.9	Confident	74 Å²	74	61.9 Å²	61.9	29%	0.29	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.5	179.7	74.4	-73.9	0	0	0	112.2	Q906 L908 Y931	Q906-Y925 HydrophobicContact CB-CE1 4.46Å; Q906-Y925 HydrophobicContact CG-CD1 4.19Å; Q906-Y925 HydrophobicContact CG-CE1 3.92Å; Q906-Y925 HydrophobicContact CG-CE2 4.34Å; Q906-Y925 HydrophobicContact CG-CG 4.49Å; Q906-Y925 WeakPolarHBondContact CG-O 3.07Å; Q906-Y925 PolarHBondContact NE2-OH 3.28Å; Q906-Y925 PolarHBondContact O-N 3.49Å; L908-Y925 HydrophobicContact CD1-CD1 3.74Å; L908-Y925 HydrophobicContact CD1-CE1 3.61Å; L908-Y925 HydrophobicContact CD1-CG 4.37Å; L908-Y925 HydrophobicContact CG-CD1 4.07Å; L908-Y925 HydrophobicContact CG-CE1 3.63Å; Y925-Y931 CarbonylContact C-O 3.39Å; Y925-Y931 WeakPolarHBondContact CA-O 3.31Å
926	S	80.3	Confident	83.3	Confident	13 Å²	13	62.8 Å²	62.8	9%	0.091	31%	0.308	C	S	.	.			trans	-117.1	120.3	168.3	167.1	0	0	0	0	109.2	M905 W928 T929 H930 Y931	M905-S926 VanDerWaalsContact CE-CB 3.4Å; S926-W928 PolarHBondContact O-N 2.95Å; S926-W928 PolarHBondContact OG-N 2.82Å; S926-T929 WeakPolarHBondContact CB-OG1 3.43Å; S926-T929 PolarHBondContact OG-N 2.74Å; S926-T929 PolarHBondContact OG-OG1 2.91Å; S926-H930 WeakPolarHBondContact O-CA 3.45Å; S926-H930 PolarHBondContact O-N 3.4Å; S926-Y931 PolarHBondContact N-O 2.74Å
927	P	71.9	Confident	83.6	Confident	64 Å²	64	60 Å²	60	42%	0.416	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.9	179.3	25.9	-29.4	0	0	0	111.5
928	W	74.8	Confident	84	Confident	157 Å²	157	60.3 Å²	60.3	60%	0.595	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-35.8	-179.4	-54.2	-76.5	0	0	0	113.3	S926	S926-W928 PolarHBondContact O-N 2.95Å; S926-W928 PolarHBondContact OG-N 2.82Å
929	T	76.5	Confident	84.4	Confident	72 Å²	72	63.1 Å²	63.1	44%	0.442	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.8	-175.8	59.9	0	0	0	0	113.5	S926 Y931 F1135	S926-T929 WeakPolarHBondContact CB-OG1 3.43Å; S926-T929 PolarHBondContact OG-N 2.74Å; S926-T929 PolarHBondContact OG-OG1 2.91Å; T929-Y931 PolarHBondContact O-N 3.21Å; T929-Y931 WeakPolarHBondContact OG1-CB 3.49Å; T929-F1135 HydrophobicContact CG2-CE1 4.47Å; T929-F1135 HydrophobicContact CG2-CZ 4.08Å
930	H	73.7	Confident	84.7	Confident	168 Å²	168	63.4 Å²	63.4	78%	0.778	32%	0.316	S	S	*	.			trans	56	13.2	-170.6	-56.3	79.1	0	0	0	113.8	S926 N932	S926-H930 WeakPolarHBondContact O-CA 3.45Å; S926-H930 PolarHBondContact O-N 3.4Å; H930-N932 PolarHBondContact O-N 3.25Å
931	Y	83	Confident	84.9	Confident	57 Å²	57	61.9 Å²	61.9	22%	0.224	31%	0.306	C	S	.	.			trans	-63	131.3	172.6	179.3	-87.1	0	0	0	108.6	F894 D896 M905 V924 Y925 S926 T929 K933	F894-Y931 HydrophobicContact CZ-CE1 4.44Å; D896-Y931 PolarHBondContact OD1-OH 3.06Å; D896-Y931 VanDerWaalsContact OD2-CZ 3.31Å; D896-Y931 PolarHBondContact OD2-OH 3.13Å; M905-Y931 HydrophobicContact CE-CD1 3.64Å; M905-Y931 HydrophobicContact CE-CE1 4.28Å; M905-Y931 HydrophobicContact CE-CG 4.35Å; M905-Y931 HydrophobicContact SD-CD1 3.76Å; M905-Y931 HydrophobicContact SD-CE1 3.77Å; V924-Y931 HydrophobicContact CG2-CE1 4.18Å; Y925-Y931 CarbonylContact C-O 3.39Å; Y925-Y931 WeakPolarHBondContact CA-O 3.31Å; S926-Y931 PolarHBondContact N-O 2.74Å; T929-Y931 PolarHBondContact O-N 3.21Å; T929-Y931 WeakPolarHBondContact OG1-CB 3.49Å; Y931-K933 HydrophobicContact CE1-CB 3.86Å; Y931-K933 WeakPolarHBondContact OH-CD 3.43Å
932	N	85.8	Confident	85	Confident	102 Å²	102	59 Å²	59	55%	0.545	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	125	179.1	-179.8	-29.9	0	0	0	108.4	T923 V924 H930	T923-N932 WeakPolarHBondContact CG2-OD1 3.39Å; V924-N932 VanDerWaalsContact O-CA 3.29Å; V924-N932 WeakPolarHBondContact O-CA 3.34Å; H930-N932 PolarHBondContact O-N 3.25Å
933	K	87.3	Confident	85	Confident	39 Å²	39	59 Å²	59	17%	0.17	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.4	177.4	-172.9	166.7	-178.1	161.5	0	110.5	D896 D898 T923 V924 Y931 L935	D896-K933 IonicContact OD1-NZ 3.94Å; D896-K933 PolarHBondContact OD1-NZ 3.41Å; D898-K933 IonicContact OD2-NZ 2.65Å; D898-K933 PolarHBondContact OD2-NZ 2.82Å; T923-K933 CarbonylContact C-O 3.51Å; T923-K933 WeakPolarHBondContact CA-O 3.47Å; V924-K933 HydrophobicContact CG2-CB 3.8Å; V924-K933 VanDerWaalsContact CG2-O 3.28Å; V924-K933 WeakPolarHBondContact CG2-O 3.35Å; V924-K933 PolarHBondContact N-O 2.86Å; V924-K933 PolarHBondContact O-N 3.46Å; Y931-K933 HydrophobicContact CE1-CB 3.86Å; Y931-K933 WeakPolarHBondContact OH-CD 3.43Å; K933-L935 HydrophobicContact CD-CD2 4.39Å; K933-L935 HydrophobicContact CG-CD2 4.22Å
934	V	89.4	Confident	84.9	Confident	69 Å²	69	60.2 Å²	60.2	42%	0.418	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.6	177.2	-179.6	0	0	0	0	108.6	K921 I922 T923	K921-V934 HydrophobicContact CD-CG1 4.22Å; K921-V934 HydrophobicContact CG-CG1 3.99Å; I922-V934 WeakPolarHBondContact O-CA 3.33Å; T923-V934 HydrophobicContact CG2-CG2 4.33Å
935	L	88.2	Confident	84.7	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.9	179.5	-57.8	172.8	0	0	0	109.7	F894 K921 I922 V924 K933 Q939 F940	F894-L935 HydrophobicContact CB-CD1 3.67Å; F894-L935 HydrophobicContact CD1-CD1 3.85Å; F894-L935 HydrophobicContact CD2-CD1 3.66Å; F894-L935 HydrophobicContact CD2-CD2 4.2Å; F894-L935 HydrophobicContact CE1-CD1 4.42Å; F894-L935 HydrophobicContact CE2-CD1 4.24Å; F894-L935 HydrophobicContact CG-CD1 3.44Å; F894-L935 VanDerWaalsContact CG-CD1 3.44Å; K921-L935 WeakPolarHBondContact CA-O 3.4Å; I922-L935 HydrophobicContact CD1-CD1 4.42Å; I922-L935 HydrophobicContact CG1-CB 4Å; I922-L935 PolarHBondContact N-O 3Å; I922-L935 PolarHBondContact O-N 3.1Å; V924-L935 HydrophobicContact CG1-CD1 3.74Å; V924-L935 HydrophobicContact CG2-CD1 4Å; V924-L935 HydrophobicContact CG2-CG 4.34Å; K933-L935 HydrophobicContact CD-CD2 4.39Å; K933-L935 HydrophobicContact CG-CD2 4.22Å; L935-Q939 HydrophobicContact CB-CB 4.36Å; L935-Q939 HydrophobicContact CD2-CB 4.35Å; L935-F940 HydrophobicContact CB-CB 4.4Å; L935-F940 HydrophobicContact CB-CD1 3.78Å; L935-F940 HydrophobicContact CB-CG 4.46Å; L935-F940 HydrophobicContact CD1-CB 4.01Å
936	E	87.8	Confident	84.6	Confident	105 Å²	105	57 Å²	57	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	162.5	176.6	-57.3	-158.1	157.5	0	0	111.6	K921 G938 Q939 F940	K921-E936 IonicContact NZ-OE1 2.66Å; K921-E936 PolarHBondContact NZ-OE1 3.15Å; E936-G938 PolarHBondContact O-N 3.13Å; E936-Q939 WeakPolarHBondContact O-CB 3.23Å; E936-Q939 PolarHBondContact O-N 2.94Å; E936-F940 WeakPolarHBondContact O-CD1 3.42Å; E936-F940 WeakPolarHBondContact O-CE1 3.44Å
937	K	83.8	Confident	84.7	Confident	142 Å²	142	63.7 Å²	63.7	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	124.6	-179.5	-175.9	173.4	-179.6	167.8	0	110.6	D914 T920	D914-K937 IonicContact OD2-NZ 3.12Å; T920-K937 HydrophobicContact CG2-CD 4.45Å; T920-K937 WeakPolarHBondContact O-CB 3.39Å; T920-K937 PolarHBondContact O-N 3.25Å
938	G	85.4	Confident	85.1	Confident	44 Å²	44	67.4 Å²	67.4	45%	0.454	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-11.6	-176	0	0	0	0	0	114.4	E936 I1093	E936-G938 PolarHBondContact O-N 3.13Å; G938-I1093 VanDerWaalsContact O-CG2 3.31Å; G938-I1093 WeakPolarHBondContact O-CG2 3.5Å
939	Q	89.7	Confident	85.4	Confident	91 Å²	91	64.3 Å²	64.3	43%	0.425	31%	0.313	S	S	.	.	S	Bend	trans	-98.6	-7.1	173.8	-60.8	-179.3	-55.5	0	0	113.4	F894 L935 E936	F894-Q939 WeakPolarHBondContact CB-O 3.39Å; L935-Q939 HydrophobicContact CB-CB 4.36Å; L935-Q939 HydrophobicContact CD2-CB 4.35Å; E936-Q939 WeakPolarHBondContact O-CB 3.23Å; E936-Q939 PolarHBondContact O-N 2.94Å
940	F	91.2	Very high	85.3	Confident	16 Å²	16	64.7 Å²	64.7	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.5	-176.6	68.5	-91.6	0	0	0	111.7	F893 F894 P919 I922 L935 E936 I942	F893-F940 CarbonylContact O-C 3.57Å; F893-F940 WeakPolarHBondContact O-CA 3.28Å; F894-F940 HydrophobicContact CB-CB 4.26Å; P919-F940 HydrophobicContact CG-CE2 4.49Å; P919-F940 WeakPolarHBondContact O-CZ 3.39Å; I922-F940 HydrophobicContact CB-CZ 4.44Å; I922-F940 HydrophobicContact CD1-CB 3.89Å; I922-F940 HydrophobicContact CD1-CD1 3.86Å; I922-F940 HydrophobicContact CD1-CD2 3.45Å; I922-F940 VanDerWaalsContact CD1-CD2 3.45Å; I922-F940 HydrophobicContact CD1-CE1 4.22Å; I922-F940 HydrophobicContact CD1-CE2 3.86Å; I922-F940 HydrophobicContact CD1-CG 3.44Å; I922-F940 VanDerWaalsContact CD1-CG 3.44Å; I922-F940 HydrophobicContact CD1-CZ 4.22Å; I922-F940 HydrophobicContact CG1-CD1 3.73Å; I922-F940 HydrophobicContact CG1-CD2 4.09Å; I922-F940 HydrophobicContact CG1-CE1 3.77Å; I922-F940 HydrophobicContact CG1-CE2 4.15Å; I922-F940 HydrophobicContact CG1-CG 3.88Å; I922-F940 HydrophobicContact CG1-CZ 3.99Å; I922-F940 HydrophobicContact CG2-CE1 4.34Å; I922-F940 HydrophobicContact CG2-CE2 3.94Å; I922-F940 HydrophobicContact CG2-CZ 3.77Å; L935-F940 HydrophobicContact CB-CB 4.4Å; L935-F940 HydrophobicContact CB-CD1 3.78Å; L935-F940 HydrophobicContact CB-CG 4.46Å; L935-F940 HydrophobicContact CD1-CB 4.01Å; E936-F940 WeakPolarHBondContact O-CD1 3.42Å; E936-F940 WeakPolarHBondContact O-CE1 3.44Å; F940-I942 HydrophobicContact CD2-CD1 4.33Å; F940-I942 HydrophobicContact CD2-CG1 3.9Å; F940-I942 HydrophobicContact CE2-CD1 3.76Å; F940-I942 HydrophobicContact CE2-CG1 3.84Å
941	V	90.4	Very high	85.5	Confident	1 Å²	1	59 Å²	59	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.9	166.8	173.7	0	0	0	0	108.4	F893 A1086 Q1089 I1090 I1093 F1094	F893-V941 PolarHBondContact N-O 3.16Å; F893-V941 PolarHBondContact O-N 3.46Å; V941-A1086 HydrophobicContact CG1-CB 4.26Å; V941-Q1089 HydrophobicContact CB-CB 4.42Å; V941-Q1089 HydrophobicContact CG1-CB 3.75Å; V941-Q1089 HydrophobicContact CG2-CB 3.74Å; V941-I1090 HydrophobicContact CB-CG1 4.01Å; V941-I1090 HydrophobicContact CG1-CG1 3.88Å; V941-I1090 HydrophobicContact CG2-CG1 4.09Å; V941-I1093 HydrophobicContact CG2-CB 4.48Å; V941-I1093 HydrophobicContact CG2-CD1 3.76Å; V941-F1094 HydrophobicContact CB-CE2 4.45Å; V941-F1094 HydrophobicContact CG2-CD2 4.37Å; V941-F1094 HydrophobicContact CG2-CE2 3.85Å
942	I	90.3	Very high	84.9	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.046	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.8	172.5	-63.7	167.4	0	0	0	108.4	Y907 P919 I922 F940 W944	Y907-I942 HydrophobicContact CE1-CD1 4.28Å; Y907-I942 HydrophobicContact CE1-CG1 4.14Å; Y907-I942 HydrophobicContact CE1-CG2 3.96Å; Y907-I942 HydrophobicContact CE2-CD1 3.96Å; P919-I942 HydrophobicContact CG-CD1 3.22Å; I922-I942 HydrophobicContact CG2-CD1 4.4Å; F940-I942 HydrophobicContact CD2-CD1 4.33Å; F940-I942 HydrophobicContact CD2-CG1 3.9Å; F940-I942 HydrophobicContact CE2-CD1 3.76Å; F940-I942 HydrophobicContact CE2-CG1 3.84Å; I942-W944 HydrophobicContact CB-CZ2 4.27Å; I942-W944 HydrophobicContact CD1-CZ2 4.23Å; I942-W944 HydrophobicContact CG2-CD2 3.8Å; I942-W944 VanDerWaalsContact CG2-CE2 3.43Å; I942-W944 HydrophobicContact CG2-CE3 4.28Å; I942-W944 HydrophobicContact CG2-CG 4.28Å; I942-W944 HydrophobicContact CG2-CH2 4.12Å; I942-W944 HydrophobicContact CG2-CZ2 3.62Å; I942-W944 HydrophobicContact CG2-CZ3 4.42Å
943	I	89.8	Confident	84.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120	170.6	-52.7	172.5	0	0	0	106.8	L881 L885 S890 V891 F893 A1086 I1090 W1100	L881-I943 HydrophobicContact CD1-CD1 4.2Å; L881-I943 HydrophobicContact CD2-CD1 4.21Å; L885-I943 HydrophobicContact CD1-CG2 3.88Å; L885-I943 HydrophobicContact CD2-CB 4.09Å; L885-I943 HydrophobicContact CD2-CG2 3.86Å; L885-I943 WeakPolarHBondContact CD2-O 3.27Å; S890-I943 VanDerWaalsContact CA-O 3.26Å; S890-I943 WeakPolarHBondContact CA-O 3.28Å; V891-I943 PolarHBondContact N-O 2.86Å; V891-I943 PolarHBondContact O-N 3.4Å; F893-I943 HydrophobicContact CB-CD1 4.1Å; F893-I943 HydrophobicContact CB-CG1 4.45Å; I943-A1086 HydrophobicContact CB-CB 4.3Å; I943-A1086 HydrophobicContact CG1-CB 3.99Å; I943-A1086 HydrophobicContact CG2-CB 4.24Å; I943-I1090 HydrophobicContact CD1-CD1 4.17Å; I943-I1090 HydrophobicContact CG1-CD1 4.39Å; I943-W1100 HydrophobicContact CD1-CH2 4.32Å; I943-W1100 HydrophobicContact CD1-CZ2 4.24Å; I943-W1100 HydrophobicContact CG2-CH2 4.16Å; I943-W1100 HydrophobicContact CG2-CZ2 4.2Å
944	W	88.4	Confident	83.3	Confident	37 Å²	37	57.9 Å²	57.9	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145	178.1	-59.1	96.5	0	0	0	110.3	Y907 I942 R949 A1082	Y907-W944 WeakPolarHBondContact OH-CH2 3.34Å; I942-W944 HydrophobicContact CB-CZ2 4.27Å; I942-W944 HydrophobicContact CD1-CZ2 4.23Å; I942-W944 HydrophobicContact CG2-CD2 3.8Å; I942-W944 VanDerWaalsContact CG2-CE2 3.43Å; I942-W944 HydrophobicContact CG2-CE3 4.28Å; I942-W944 HydrophobicContact CG2-CG 4.28Å; I942-W944 HydrophobicContact CG2-CH2 4.12Å; I942-W944 HydrophobicContact CG2-CZ2 3.62Å; I942-W944 HydrophobicContact CG2-CZ3 4.42Å; W944-R949 HydrophobicContact CD2-CB 4.25Å; W944-R949 HydrophobicContact CD2-CG 3.75Å; W944-R949 HydrophobicContact CE3-CB 3.67Å; W944-R949 HydrophobicContact CE3-CG 3.7Å; W944-R949 HydrophobicContact CG-CG 4.18Å; W944-R949 HydrophobicContact CZ3-CB 3.89Å; W944-R949 HydrophobicContact CZ3-CG 4.16Å; W944-A1082 HydrophobicContact CB-CB 4.33Å
945	D	84.2	Confident	82.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-69.2	-40.5	177	-176.4	50.9	0	0	0	112.4	L885 G889 R1079 R1083	L885-D945 HydrophobicContact CB-CB 4.49Å; L885-D945 WeakPolarHBondContact O-CB 3.35Å; G889-D945 PolarHBondContact O-N 3.29Å; D945-R1079 WeakPolarHBondContact O-CA 3.17Å; D945-R1079 WeakPolarHBondContact O-CB 3.28Å; D945-R1079 WeakPolarHBondContact O-CG 3.29Å; D945-R1079 IonicContact OD1-NH1 3.93Å; D945-R1079 PolarHBondContact OD1-NH1 3.01Å; D945-R1079 IonicContact OD2-CZ 2.83Å; D945-R1079 IonicContact OD2-NH1 2.73Å; D945-R1079 PolarHBondContact OD2-NH1 3.37Å; D945-R1079 IonicContact OD2-NH2 2.71Å; D945-R1083 IonicContact OD1-NH2 3.34Å; D945-R1083 PolarHBondContact OD1-NH2 3.1Å
946	N	83.8	Confident	81.6	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.043	28%	0.283	C	S	.	.	S	Bend	trans	-143.4	163.2	178.6	61.3	65	0	0	0	111.1	L948 R949 V950 N952 R1079	N946-L948 PolarHBondContact O-N 3.15Å; N946-L948 WeakPolarHBondContact OD1-CA 3.24Å; N946-L948 WeakPolarHBondContact OD1-CB 3.22Å; N946-L948 PolarHBondContact OD1-N 3.26Å; N946-L948 VanDerWaalsContact OD1-N 3.15Å; N946-R949 PolarHBondContact O-N 3.3Å; N946-R949 PolarHBondContact OD1-N 3.36Å; N946-V950 PolarHBondContact ND2-O 2.77Å; N946-V950 PolarHBondContact OD1-N 3.09Å; N946-N952 PolarHBondContact ND2-ND2 3.16Å; N946-R1079 HydrophobicContact CB-CG 4.48Å
947	Y	82.7	Confident	80.6	Confident	153 Å²	153	54.3 Å²	54.3	60%	0.6	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.3	-175	-151.4	-97.5	0	0	0	113.6	R949 S1078 M1081	Y947-R949 VanDerWaalsContact C-N 3.26Å; Y947-R949 PolarHBondContact O-N 2.99Å; Y947-S1078 PolarHBondContact N-O 2.91Å; Y947-S1078 PolarHBondContact N-OG 2.96Å; Y947-M1081 HydrophobicContact CD2-CB 4.34Å
948	L	81.1	Confident	79.6	Confident	142 Å²	142	48.3 Å²	48.3	74%	0.743	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12	174.8	-68.6	171.7	0	0	0	112.8	N946 V950	N946-L948 PolarHBondContact O-N 3.15Å; N946-L948 WeakPolarHBondContact OD1-CA 3.24Å; N946-L948 WeakPolarHBondContact OD1-CB 3.22Å; N946-L948 PolarHBondContact OD1-N 3.26Å; N946-L948 VanDerWaalsContact OD1-N 3.15Å; L948-V950 HydrophobicContact CB-CG2 4.02Å; L948-V950 PolarHBondContact O-N 3.12Å
949	R	80.1	Confident	78.8	Confident	92 Å²	92	46.6 Å²	46.6	35%	0.347	23%	0.228	S	C	.	.			trans	57.7	29.3	-176.8	-50.3	179	-175	-172.9	-5.2	113.1	N918 W944 N946 Y947	N918-R949 VanDerWaalsContact OD1-CZ 3.23Å; N918-R949 PolarHBondContact OD1-NH1 2.56Å; N918-R949 PolarHBondContact OD1-NH2 3.28Å; W944-R949 HydrophobicContact CD2-CB 4.25Å; W944-R949 HydrophobicContact CD2-CG 3.75Å; W944-R949 HydrophobicContact CE3-CB 3.67Å; W944-R949 HydrophobicContact CE3-CG 3.7Å; W944-R949 HydrophobicContact CG-CG 4.18Å; W944-R949 HydrophobicContact CZ3-CB 3.89Å; W944-R949 HydrophobicContact CZ3-CG 4.16Å; N946-R949 PolarHBondContact O-N 3.3Å; N946-R949 PolarHBondContact OD1-N 3.36Å; Y947-R949 VanDerWaalsContact C-N 3.26Å; Y947-R949 PolarHBondContact O-N 2.99Å
950	V	75.8	Confident	77.7	Confident	79 Å²	79	42.5 Å²	42.5	48%	0.479	21%	0.209	S	C	.	.			trans	-102.3	135.7	178.7	-175.8	0	0	0	0	109.3	N946 L948 N952	N946-V950 PolarHBondContact ND2-O 2.77Å; N946-V950 PolarHBondContact OD1-N 3.09Å; L948-V950 HydrophobicContact CB-CG2 4.02Å; L948-V950 PolarHBondContact O-N 3.12Å; V950-N952 PolarHBondContact O-N 2.94Å
951	N	76.5	Confident	76.4	Confident	50 Å²	50	45.8 Å²	45.8	27%	0.267	22%	0.222	S	C	.	.			trans	-74.3	116.8	174.5	-177.2	-11.5	0	0	0	110.7	F886 E887 Y953	F886-N951 PolarHBondContact O-OD1 2.78Å; E887-N951 PolarHBondContact O-ND2 3.45Å; N951-Y953 WeakPolarHBondContact OD1-CB 3.4Å; N951-Y953 PolarHBondContact OD1-N 3.38Å
952	N	71.3	Confident	75.5	Confident	22 Å²	22	52.2 Å²	52.2	12%	0.118	25%	0.246	C	C	.	.			trans	-82.5	-10.9	179.8	-75.1	-22.4	0	0	0	113.9	N946 V950 Q954 S955 F956 R1079	N946-N952 PolarHBondContact ND2-ND2 3.16Å; V950-N952 PolarHBondContact O-N 2.94Å; N952-Q954 VanDerWaalsContact C-N 3.3Å; N952-Q954 PolarHBondContact O-N 3.44Å; N952-S955 PolarHBondContact O-N 2.97Å; N952-F956 WeakPolarHBondContact O-CB 3.42Å; N952-F956 PolarHBondContact O-N 2.93Å; N952-R1079 PolarHBondContact ND2-NH2 2.8Å
953	Y	72.6	Confident	74.7	Confident	48 Å²	48	52.1 Å²	52.1	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-39.5	-178.2	-176.5	-118.7	0	0	0	113	R855 F886 E887 N951 F956 I957	R855-Y953 PolarHBondContact NH2-OH 2.95Å; F886-Y953 AromaticContact CD1-CD2 3.99Å; F886-Y953 HydrophobicContact CD1-CD2 3.99Å; F886-Y953 AromaticContact CE1-CD2 3.6Å; F886-Y953 HydrophobicContact CE1-CD2 3.6Å; F886-Y953 HydrophobicContact CE1-CE2 4.27Å; F886-Y953 HydrophobicContact CZ-CD2 4.35Å; F886-Y953 WeakPolarHBondContact O-CB 3.17Å; E887-Y953 HydrophobicContact CG-CD1 4.33Å; E887-Y953 HydrophobicContact CG-CE1 4.21Å; N951-Y953 WeakPolarHBondContact OD1-CB 3.4Å; N951-Y953 PolarHBondContact OD1-N 3.38Å; Y953-F956 WeakPolarHBondContact O-CB 3.49Å; Y953-F956 PolarHBondContact O-N 2.81Å; Y953-I957 HydrophobicContact CD1-CD1 3.81Å; Y953-I957 HydrophobicContact CE1-CD1 3.35Å; Y953-I957 HydrophobicContact CE1-CG1 4.33Å; Y953-I957 HydrophobicContact CE2-CD1 4.15Å; Y953-I957 HydrophobicContact CE2-CG1 4.34Å; Y953-I957 HydrophobicContact CG-CD1 4.41Å; Y953-I957 WeakPolarHBondContact O-CG1 3.33Å; Y953-I957 PolarHBondContact O-N 3.18Å
954	Q	66.6	Low	73.4	Confident	103 Å²	103	52.9 Å²	52.9	48%	0.481	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-43	179.6	-70.5	-65.6	-3.6	0	0	112	N952 F956 I957 G958	N952-Q954 VanDerWaalsContact C-N 3.3Å; N952-Q954 PolarHBondContact O-N 3.44Å; Q954-F956 PolarHBondContact O-N 3.36Å; Q954-I957 PolarHBondContact O-N 3.42Å; Q954-G958 PolarHBondContact O-N 2.94Å
955	S	71.7	Confident	72.5	Confident	55 Å²	55	58.4 Å²	58.4	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-36.5	173.4	-52	0	0	0	0	111.3	N952 G958 L959	N952-S955 PolarHBondContact O-N 2.97Å; S955-G958 PolarHBondContact O-N 3.45Å; S955-L959 WeakPolarHBondContact O-CG 3.5Å; S955-L959 PolarHBondContact O-N 3.32Å
956	F	71	Confident	72.2	Confident	11 Å²	11	59.8 Å²	59.8	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-46	178.4	-166.1	-87.4	0	0	0	112.9	Y858 F886 N952 Y953 Q954 G958 L959 A960 L1047	Y858-F956 AromaticContact CD1-CE1 3.94Å; Y858-F956 HydrophobicContact CD1-CE1 3.94Å; Y858-F956 AromaticContact CD1-CE2 3.31Å; Y858-F956 HydrophobicContact CD1-CE2 3.31Å; Y858-F956 AromaticContact CD1-CZ 2.97Å; Y858-F956 HydrophobicContact CD1-CZ 2.97Å; Y858-F956 AromaticContact CD2-CE1 3.88Å; Y858-F956 HydrophobicContact CD2-CE1 3.88Å; Y858-F956 HydrophobicContact CD2-CE2 4.33Å; Y858-F956 AromaticContact CD2-CZ 3.3Å; Y858-F956 HydrophobicContact CD2-CZ 3.3Å; Y858-F956 HydrophobicContact CE1-CE1 4.43Å; Y858-F956 AromaticContact CE1-CE2 3.19Å; Y858-F956 HydrophobicContact CE1-CE2 3.19Å; Y858-F956 AromaticContact CE1-CZ 3.17Å; Y858-F956 HydrophobicContact CE1-CZ 3.17Å; Y858-F956 HydrophobicContact CE2-CE1 4.38Å; Y858-F956 HydrophobicContact CE2-CE2 4.25Å; Y858-F956 AromaticContact CE2-CZ 3.48Å; Y858-F956 HydrophobicContact CE2-CZ 3.48Å; Y858-F956 VanDerWaalsContact CE2-CZ 3.48Å; Y858-F956 AromaticContact CG-CE1 3.57Å; Y858-F956 HydrophobicContact CG-CE1 3.57Å; Y858-F956 AromaticContact CG-CE2 3.84Å; Y858-F956 HydrophobicContact CG-CE2 3.84Å; Y858-F956 AromaticContact CG-CZ 2.98Å; Y858-F956 HydrophobicContact CG-CZ 2.98Å; Y858-F956 AromaticContact CZ-CE2 3.66Å; Y858-F956 AromaticContact CZ-CZ 3.37Å; F886-F956 HydrophobicContact CE1-CD1 4.49Å; F886-F956 HydrophobicContact CZ-CB 3.86Å; F886-F956 HydrophobicContact CZ-CD1 4.04Å; F886-F956 HydrophobicContact CZ-CD2 4.14Å; F886-F956 AromaticContact CZ-CG 3.65Å; F886-F956 HydrophobicContact CZ-CG 3.65Å; N952-F956 WeakPolarHBondContact O-CB 3.42Å; N952-F956 PolarHBondContact O-N 2.93Å; Y953-F956 WeakPolarHBondContact O-CB 3.49Å; Y953-F956 PolarHBondContact O-N 2.81Å; Q954-F956 PolarHBondContact O-N 3.36Å; F956-G958 VanDerWaalsContact C-N 3.29Å; F956-G958 PolarHBondContact O-N 3.36Å; F956-L959 PolarHBondContact O-N 2.69Å; F956-A960 PolarHBondContact O-N 3.47Å; F956-L1047 HydrophobicContact CE2-CD1 4.38Å
957	I	65.4	Low	71.7	Confident	37 Å²	37	61.3 Å²	61.3	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-41.6	173.1	-69.3	173.1	0	0	0	110.7	Y953 Q954 L959 A960 Y961	Y953-I957 HydrophobicContact CD1-CD1 3.81Å; Y953-I957 HydrophobicContact CE1-CD1 3.35Å; Y953-I957 HydrophobicContact CE1-CG1 4.33Å; Y953-I957 HydrophobicContact CE2-CD1 4.15Å; Y953-I957 HydrophobicContact CE2-CG1 4.34Å; Y953-I957 HydrophobicContact CG-CD1 4.41Å; Y953-I957 WeakPolarHBondContact O-CG1 3.33Å; Y953-I957 PolarHBondContact O-N 3.18Å; Q954-I957 PolarHBondContact O-N 3.42Å; I957-L959 VanDerWaalsContact C-N 3.33Å; I957-L959 PolarHBondContact O-N 3.26Å; I957-A960 PolarHBondContact O-N 3.45Å; I957-Y961 WeakPolarHBondContact O-CB 3.24Å; I957-Y961 PolarHBondContact O-N 2.91Å
958	G	63.3	Low	71.1	Confident	16 Å²	16	55.7 Å²	55.7	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-42.2	175.2	0	0	0	0	0	112.9	Y820 Q954 S955 F956 Y961 R962	Y820-G958 WeakPolarHBondContact OH-CA 3.23Å; Q954-G958 PolarHBondContact O-N 2.94Å; S955-G958 PolarHBondContact O-N 3.45Å; F956-G958 VanDerWaalsContact C-N 3.29Å; F956-G958 PolarHBondContact O-N 3.36Å; G958-Y961 PolarHBondContact O-N 3.15Å; G958-R962 WeakPolarHBondContact O-CG 3.18Å; G958-R962 PolarHBondContact O-N 2.87Å
959	L	69.4	Low	70.9	Confident	9 Å²	9	52.2 Å²	52.2	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-44.4	174.4	-76.2	171.7	0	0	0	112.2	S955 F956 I957 Y961 R962 L963 L1039 Q1042 M1046	S955-L959 WeakPolarHBondContact O-CG 3.5Å; S955-L959 PolarHBondContact O-N 3.32Å; F956-L959 PolarHBondContact O-N 2.69Å; I957-L959 VanDerWaalsContact C-N 3.33Å; I957-L959 PolarHBondContact O-N 3.26Å; L959-Y961 VanDerWaalsContact C-N 3.3Å; L959-Y961 PolarHBondContact O-N 3.3Å; L959-R962 PolarHBondContact O-N 3.11Å; L959-L963 WeakPolarHBondContact O-CG 3.4Å; L959-L963 PolarHBondContact O-N 3.05Å; L959-L1039 HydrophobicContact CD2-CD2 3.67Å; L959-Q1042 HydrophobicContact CD2-CG 4.48Å; L959-M1046 HydrophobicContact CD1-SD 3.54Å; L959-M1046 VanDerWaalsContact CD1-SD 3.54Å
960	A	64.9	Low	71	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-39.8	177.4	0	0	0	0	0	112.2	I854 F956 I957 L963 T964	I854-A960 HydrophobicContact CG2-CB 3.66Å; F956-A960 PolarHBondContact O-N 3.47Å; I957-A960 PolarHBondContact O-N 3.45Å; A960-L963 PolarHBondContact O-N 3.05Å; A960-T964 PolarHBondContact O-N 3.38Å; A960-T964 PolarHBondContact O-OG1 3.31Å
961	Y	65.1	Low	71	Confident	86 Å²	86	48.1 Å²	48.1	34%	0.337	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-42.9	175	-177	-102.4	0	0	0	112	I957 G958 L959 T964 R965	I957-Y961 WeakPolarHBondContact O-CB 3.24Å; I957-Y961 PolarHBondContact O-N 2.91Å; G958-Y961 PolarHBondContact O-N 3.15Å; L959-Y961 VanDerWaalsContact C-N 3.3Å; L959-Y961 PolarHBondContact O-N 3.3Å; Y961-T964 PolarHBondContact O-N 3.48Å; Y961-R965 HydrophobicContact CE1-CG 4.18Å; Y961-R965 PolarHBondContact O-N 3.32Å
962	R	71	Confident	71	Confident	135 Å²	135	50.5 Å²	50.5	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-41.1	175.6	-71.7	178.2	70.7	-172.1	1.8	112.6	G958 L959 T964 R965 L966 L1039	G958-R962 WeakPolarHBondContact O-CG 3.18Å; G958-R962 PolarHBondContact O-N 2.87Å; L959-R962 PolarHBondContact O-N 3.11Å; R962-T964 VanDerWaalsContact C-N 3.35Å; R962-R965 PolarHBondContact O-N 2.88Å; R962-L966 PolarHBondContact O-N 2.85Å; R962-L1039 HydrophobicContact CB-CD1 4.4Å
963	L	73.2	Confident	71.6	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-44.5	174.4	-76.5	169	0	0	0	111.1	I854 Y858 L959 A960 R965 L966 D967 Q1036 L1039	I854-L963 HydrophobicContact CD1-CB 3.79Å; Y858-L963 HydrophobicContact CE2-CD1 4.13Å; L959-L963 WeakPolarHBondContact O-CG 3.4Å; L959-L963 PolarHBondContact O-N 3.05Å; A960-L963 PolarHBondContact O-N 3.05Å; L963-R965 PolarHBondContact O-N 3.15Å; L963-L966 PolarHBondContact O-N 2.9Å; L963-D967 WeakPolarHBondContact O-CB 3.37Å; L963-D967 PolarHBondContact O-N 3.04Å; L963-Q1036 HydrophobicContact CD2-CG 3.94Å; L963-L1039 HydrophobicContact CD2-CB 3.73Å; L963-L1039 HydrophobicContact CG-CB 4.26Å
964	T	64.1	Low	72	Confident	16 Å²	16	50.6 Å²	50.6	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-43.7	176.7	-54.8	0	0	0	0	111.9	V851 I854 A960 Y961 R962 D967 G968	V851-T964 HydrophobicContact CG2-CG2 4.43Å; I854-T964 WeakPolarHBondContact CD1-OG1 3.11Å; A960-T964 PolarHBondContact O-N 3.38Å; A960-T964 PolarHBondContact O-OG1 3.31Å; Y961-T964 PolarHBondContact O-N 3.48Å; R962-T964 VanDerWaalsContact C-N 3.35Å; T964-D967 PolarHBondContact O-N 2.92Å; T964-G968 PolarHBondContact O-N 2.78Å
965	R	68.6	Low	72.4	Confident	152 Å²	152	49.1 Å²	49.1	57%	0.574	26%	0.264	S	S	*	.	H	α-helix	trans	-65.5	-38.8	177.6	-74.4	-174.6	66.6	167.1	2.4	112.5	Y961 R962 L963 T969	Y961-R965 HydrophobicContact CE1-CG 4.18Å; Y961-R965 PolarHBondContact O-N 3.32Å; R962-R965 PolarHBondContact O-N 2.88Å; L963-R965 PolarHBondContact O-N 3.15Å; R965-T969 WeakPolarHBondContact O-CB 3.31Å; R965-T969 PolarHBondContact O-N 3.16Å; R965-T969 PolarHBondContact O-OG1 2.82Å
966	L	77.2	Confident	72.6	Confident	30 Å²	30	47.6 Å²	47.6	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-44.6	175.8	-83.1	170.9	0	0	0	111.7	R962 L963 G968 T969 I970 L1032 A1035 L1039	R962-L966 PolarHBondContact O-N 2.85Å; L963-L966 PolarHBondContact O-N 2.9Å; L966-G968 PolarHBondContact O-N 3.22Å; L966-T969 CarbonylContact O-C 3.52Å; L966-T969 WeakPolarHBondContact O-CA 3.37Å; L966-T969 WeakPolarHBondContact O-CB 3.44Å; L966-T969 PolarHBondContact O-N 2.87Å; L966-I970 VanDerWaalsContact O-CG1 3.32Å; L966-I970 WeakPolarHBondContact O-CG1 3.47Å; L966-I970 PolarHBondContact O-N 3.33Å; L966-L1032 HydrophobicContact CD2-CD2 3.84Å; L966-A1035 HydrophobicContact CD1-CB 4.35Å; L966-A1035 HydrophobicContact CD2-CB 4.49Å; L966-L1039 HydrophobicContact CD1-CD1 3.18Å; L966-L1039 HydrophobicContact CG-CD1 4.5Å
967	D	74.5	Confident	73	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.214	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-48.8	177.4	-153	47.9	0	0	0	111	Y850 L963 T964 T969 I970 D971 Q1036	Y850-D967 WeakPolarHBondContact CE1-OD2 3.38Å; L963-D967 WeakPolarHBondContact O-CB 3.37Å; L963-D967 PolarHBondContact O-N 3.04Å; T964-D967 PolarHBondContact O-N 2.92Å; D967-T969 VanDerWaalsContact C-N 3.26Å; D967-T969 PolarHBondContact O-N 3.31Å; D967-I970 WeakPolarHBondContact O-CB 3.44Å; D967-I970 PolarHBondContact O-N 3.19Å; D967-I970 VanDerWaalsContact O-N 3.11Å; D967-D971 PolarHBondContact O-N 2.96Å; D967-Q1036 PolarHBondContact OD1-NE2 2.8Å
968	G	68.9	Low	73.5	Confident	34 Å²	34	54.9 Å²	54.9	35%	0.351	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-31.1	173.6	0	0	0	0	0	113.8	T964 L966 V972	T964-G968 PolarHBondContact O-N 2.78Å; L966-G968 PolarHBondContact O-N 3.22Å; G968-V972 VanDerWaalsContact O-CG2 3.22Å; G968-V972 WeakPolarHBondContact O-CG2 3.37Å; G968-V972 PolarHBondContact O-N 3.41Å; G968-V972 VanDerWaalsContact O-N 3.12Å
969	T	78	Confident	73.9	Confident	69 Å²	69	55.5 Å²	55.5	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-73.3	-37	175.4	-54.4	0	0	0	0	111.6	R965 L966 D967 V972 N973 L1032	R965-T969 WeakPolarHBondContact O-CB 3.31Å; R965-T969 PolarHBondContact O-N 3.16Å; R965-T969 PolarHBondContact O-OG1 2.82Å; L966-T969 CarbonylContact O-C 3.52Å; L966-T969 WeakPolarHBondContact O-CA 3.37Å; L966-T969 WeakPolarHBondContact O-CB 3.44Å; L966-T969 PolarHBondContact O-N 2.87Å; D967-T969 VanDerWaalsContact C-N 3.26Å; D967-T969 PolarHBondContact O-N 3.31Å; T969-V972 PolarHBondContact O-N 2.96Å; T969-N973 WeakPolarHBondContact O-CB 3.35Å; T969-N973 PolarHBondContact O-N 3.36Å; T969-L1032 HydrophobicContact CG2-CD1 3.84Å; T969-L1032 HydrophobicContact CG2-CD2 4.48Å
970	I	81.4	Confident	74.1	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-48	174.6	-69.4	162.8	0	0	0	109.5	L966 D967 V972 N973 C974 L1032 L1033 Q1036	L966-I970 VanDerWaalsContact O-CG1 3.32Å; L966-I970 WeakPolarHBondContact O-CG1 3.47Å; L966-I970 PolarHBondContact O-N 3.33Å; D967-I970 WeakPolarHBondContact O-CB 3.44Å; D967-I970 PolarHBondContact O-N 3.19Å; D967-I970 VanDerWaalsContact O-N 3.11Å; I970-V972 PolarHBondContact O-N 3.14Å; I970-N973 PolarHBondContact O-N 3.47Å; I970-C974 WeakPolarHBondContact O-CB 3.26Å; I970-C974 PolarHBondContact O-N 3.46Å; I970-C974 PolarHBondContact O-SG 2.86Å; I970-L1032 HydrophobicContact CD1-CB 4.06Å; I970-L1032 HydrophobicContact CG1-CB 3.47Å; I970-L1032 VanDerWaalsContact CG1-CB 3.47Å; I970-L1032 HydrophobicContact CG1-CD1 4.08Å; I970-L1032 HydrophobicContact CG1-CG 4.42Å; I970-L1033 HydrophobicContact CD1-CD2 4.01Å; I970-L1033 HydrophobicContact CD1-CG 4.21Å; I970-Q1036 HydrophobicContact CD1-CB 4.4Å
971	D	77.2	Confident	74.5	Confident	74 Å²	74	60.1 Å²	60.1	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-44.3	178.1	-77.6	-13.2	0	0	0	112.2	D967 C974 T975	D967-D971 PolarHBondContact O-N 2.96Å; D971-C974 PolarHBondContact O-N 3.31Å; D971-T975 WeakPolarHBondContact O-CB 3.17Å; D971-T975 PolarHBondContact O-N 2.97Å; D971-T975 PolarHBondContact O-OG1 2.94Å
972	V	76.3	Confident	74.8	Confident	101 Å²	101	59.3 Å²	59.3	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-64.8	-41.6	176.5	171.2	0	0	0	0	111.4	G968 T969 I970 T975 A976	G968-V972 VanDerWaalsContact O-CG2 3.22Å; G968-V972 WeakPolarHBondContact O-CG2 3.37Å; G968-V972 PolarHBondContact O-N 3.41Å; G968-V972 VanDerWaalsContact O-N 3.12Å; T969-V972 PolarHBondContact O-N 2.96Å; I970-V972 PolarHBondContact O-N 3.14Å; V972-T975 PolarHBondContact O-N 3.02Å; V972-A976 WeakPolarHBondContact O-CB 3.47Å; V972-A976 PolarHBondContact O-N 3.26Å
973	N	84.1	Confident	74.8	Confident	17 Å²	17	54.5 Å²	54.5	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.9	-171.2	-110.3	0	0	0	111.5	T969 I970 T975 A976 Q977 P1026 V1028 A1029 L1032	T969-N973 WeakPolarHBondContact O-CB 3.35Å; T969-N973 PolarHBondContact O-N 3.36Å; I970-N973 PolarHBondContact O-N 3.47Å; N973-T975 VanDerWaalsContact C-N 3.34Å; N973-T975 PolarHBondContact O-N 2.98Å; N973-A976 PolarHBondContact O-N 3.4Å; N973-Q977 WeakPolarHBondContact O-CG 3.39Å; N973-Q977 PolarHBondContact O-N 3.07Å; N973-Q977 VanDerWaalsContact O-N 3.12Å; N973-P1026 PolarHBondContact ND2-O 2.89Å; N973-V1028 WeakPolarHBondContact ND2-CG2 3.4Å; N973-V1028 PolarHBondContact OD1-N 2.91Å; N973-V1028 VanDerWaalsContact OD1-N 3.09Å; N973-A1029 PolarHBondContact OD1-N 3.2Å; N973-A1029 VanDerWaalsContact OD1-N 3.15Å; N973-L1032 HydrophobicContact CB-CD1 4.46Å
974	C	79.8	Confident	74.9	Confident	54 Å²	54	56 Å²	56	37%	0.365	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-40.9	175.2	-72.5	0	0	0	0	112	I970 D971 Q977 K978	I970-C974 WeakPolarHBondContact O-CB 3.26Å; I970-C974 PolarHBondContact O-N 3.46Å; I970-C974 PolarHBondContact O-SG 2.86Å; D971-C974 PolarHBondContact O-N 3.31Å; C974-Q977 PolarHBondContact O-N 3.38Å; C974-K978 PolarHBondContact O-N 3.35Å
975	T	75.9	Confident	75.4	Confident	73 Å²	73	57.2 Å²	57.2	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-43	175.9	-54.3	0	0	0	0	111.2	D971 V972 N973 Q977 K978 T979	D971-T975 WeakPolarHBondContact O-CB 3.17Å; D971-T975 PolarHBondContact O-N 2.97Å; D971-T975 PolarHBondContact O-OG1 2.94Å; V972-T975 PolarHBondContact O-N 3.02Å; N973-T975 VanDerWaalsContact C-N 3.34Å; N973-T975 PolarHBondContact O-N 2.98Å; T975-Q977 PolarHBondContact O-N 2.82Å; T975-K978 WeakPolarHBondContact O-CB 3.42Å; T975-K978 PolarHBondContact O-N 2.87Å; T975-T979 PolarHBondContact O-N 3.44Å
976	A	76.2	Confident	75.8	Confident	22 Å²	22	51.9 Å²	51.9	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-23.2	176.6	0	0	0	0	0	113.6	V972 N973 P980 A1025	V972-A976 WeakPolarHBondContact O-CB 3.47Å; V972-A976 PolarHBondContact O-N 3.26Å; N973-A976 PolarHBondContact O-N 3.4Å; A976-P980 VanDerWaalsContact O-CA 3.3Å; A976-P980 WeakPolarHBondContact O-CA 3.2Å; A976-P980 WeakPolarHBondContact O-CB 3.44Å; A976-A1025 HydrophobicContact CB-CB 4.02Å
977	Q	78.8	Confident	75.7	Confident	78 Å²	78	57.2 Å²	57.2	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-74.3	-30.9	170.9	-64.3	-52	-54.9	0	0	113.1	N973 C974 T975 A1025 P1026 F1027	N973-Q977 WeakPolarHBondContact O-CG 3.39Å; N973-Q977 PolarHBondContact O-N 3.07Å; N973-Q977 VanDerWaalsContact O-N 3.12Å; C974-Q977 PolarHBondContact O-N 3.38Å; T975-Q977 PolarHBondContact O-N 2.82Å; Q977-A1025 PolarHBondContact NE2-O 3.47Å; Q977-P1026 PolarHBondContact NE2-O 3.47Å; Q977-F1027 HydrophobicContact CG-CD2 3.77Å
978	K	74.8	Confident	75.6	Confident	123 Å²	123	61.4 Å²	61.4	54%	0.535	36%	0.356	S	S	.	.	H	α-helix	trans	-72.2	-44.9	177.6	-73.2	-169.8	170.3	-160.1	0	111.5	C974 T975 D1003	C974-K978 PolarHBondContact O-N 3.35Å; T975-K978 WeakPolarHBondContact O-CB 3.42Å; T975-K978 PolarHBondContact O-N 2.87Å; K978-D1003 IonicContact NZ-OD2 3.57Å
979	T	72.6	Confident	75.7	Confident	30 Å²	30	61.1 Å²	61.1	18%	0.184	35%	0.349	C	S	.	.			trans	-129.2	75.7	-176.4	40.5	0	0	0	0	110.9	T975 V981 V1000 D1001	T975-T979 PolarHBondContact O-N 3.44Å; T979-V981 PolarHBondContact O-N 2.93Å; T979-V1000 HydrophobicContact CG2-CG1 3.97Å; T979-D1001 WeakPolarHBondContact CG2-OD1 3.34Å; T979-D1001 PolarHBondContact OG1-OD1 3.45Å
980	P	74.1	Confident	75.4	Confident	56 Å²	56	63.6 Å²	63.6	36%	0.364	36%	0.356	S	S	.	.			trans	-77.1	24.2	-174	33.8	-37.9	0	0	0	113.6	A976 L1023	A976-P980 VanDerWaalsContact O-CA 3.3Å; A976-P980 WeakPolarHBondContact O-CA 3.2Å; A976-P980 WeakPolarHBondContact O-CB 3.44Å; P980-L1023 PolarHBondContact O-N 3.22Å
981	V	71.8	Confident	75.1	Confident	54 Å²	54	68.8 Å²	68.8	33%	0.327	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.8	-173.7	-66.6	0	0	0	0	110.7	T979 V983 A1020 I1021 Q1022	T979-V981 PolarHBondContact O-N 2.93Å; V981-V983 HydrophobicContact CG2-CG2 4.42Å; V981-A1020 HydrophobicContact CG1-CB 4.5Å; V981-I1021 CarbonylContact C-O 3.57Å; V981-I1021 WeakPolarHBondContact CA-O 3.09Å; V981-Q1022 HydrophobicContact CG1-CG 4.2Å
982	V	72.1	Confident	75	Confident	69 Å²	69	67.9 Å²	67.9	42%	0.418	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.7	161.3	174.5	0	0	0	0	107	I1021 L1023	V982-I1021 HydrophobicContact CB-CB 4.21Å; V982-I1021 PolarHBondContact N-O 2.93Å; V982-I1021 PolarHBondContact O-N 3.45Å; V982-L1023 HydrophobicContact CG2-CD1 3.69Å; V982-L1023 HydrophobicContact CG2-CD2 3.75Å; V982-L1023 HydrophobicContact CG2-CG 3.77Å
983	V	70.4	Confident	75	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.6	178	-170.5	0	0	0	0	110.4	V981 M993 I997 I1018	V981-V983 HydrophobicContact CG2-CG2 4.42Å; V983-M993 HydrophobicContact CB-CE 3.89Å; V983-M993 HydrophobicContact CG1-CE 3.38Å; V983-M993 HydrophobicContact CG2-CE 4.02Å; V983-I997 HydrophobicContact CG2-CD1 4.23Å; V983-I1018 HydrophobicContact CG1-CG2 3.42Å; V983-I1018 VanDerWaalsContact CG1-CG2 3.42Å
984	A	76.5	Confident	74.8	Confident	41 Å²	41	69.4 Å²	69.4	34%	0.339	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.3	166.6	0	0	0	0	0	108.7	I1018 Q1019 I1021	A984-I1018 WeakPolarHBondContact O-CA 3.46Å; A984-Q1019 HydrophobicContact CB-CB 4.3Å; A984-Q1019 PolarHBondContact N-O 3.42Å; A984-Q1019 PolarHBondContact O-N 3.49Å; A984-I1021 HydrophobicContact CB-CD1 4.46Å
985	C	74.8	Confident	74.8	Confident	40 Å²	40	70.7 Å²	70.7	27%	0.27	38%	0.384	S	S	.	.			trans	-148.5	161.9	177.8	62.5	0	0	0	0	110	M993	C985-M993 HydrophobicContact CB-CG 4.08Å
986	N	77.2	Confident	74.8	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.214	37%	0.374	C	S	.	.			trans	-63.7	155	175	64.6	32.5	0	0	0	112.1	Y243 N988 S989 Q990 D1017	Y243-N986 HydrophobicContact CD1-CB 4.45Å; Y243-N986 HydrophobicContact CE1-CB 4.17Å; N986-N988 PolarHBondContact O-N 2.94Å; N986-N988 VanDerWaalsContact O-N 3.15Å; N986-S989 PolarHBondContact O-N 3.12Å; N986-S989 WeakPolarHBondContact OD1-CB 3.48Å; N986-S989 PolarHBondContact OD1-N 2.69Å; N986-S989 PolarHBondContact OD1-OG 2.87Å; N986-Q990 PolarHBondContact O-N 3.35Å; N986-Q990 VanDerWaalsContact O-N 3.11Å; N986-D1017 PolarHBondContact ND2-OD2 2.73Å
987	E	74.2	Confident	74.8	Confident	143 Å²	143	71.1 Å²	71.1	67%	0.668	38%	0.378	S	S	*	.	H	α-helix	trans	-56.4	-34.4	-177	-163.4	174.1	-171.5	0	0	112.4	Y243 S989 Q990	Y243-E987 HydrophobicContact CE1-CB 4.1Å; E987-S989 VanDerWaalsContact C-N 3.29Å; E987-S989 PolarHBondContact O-N 3.49Å; E987-Q990 WeakPolarHBondContact O-CB 3.49Å; E987-Q990 PolarHBondContact O-N 3.38Å
988	N	71.7	Confident	74.8	Confident	127 Å²	127	70 Å²	70	68%	0.679	38%	0.382	S	S	*	.	H	α-helix	trans	-65.4	-27.8	175.9	-68.3	-44	0	0	0	113.8	Y243 N986	Y243-N988 PolarHBondContact OH-ND2 3.38Å; N986-N988 PolarHBondContact O-N 2.94Å; N986-N988 VanDerWaalsContact O-N 3.15Å
989	S	71.7	Confident	74.9	Confident	28 Å²	28	67.9 Å²	67.9	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-96.8	-11.7	179.4	-56.6	0	0	0	0	112.8	N986 E987 L991 S992 M993	N986-S989 PolarHBondContact O-N 3.12Å; N986-S989 WeakPolarHBondContact OD1-CB 3.48Å; N986-S989 PolarHBondContact OD1-N 2.69Å; N986-S989 PolarHBondContact OD1-OG 2.87Å; E987-S989 VanDerWaalsContact C-N 3.29Å; E987-S989 PolarHBondContact O-N 3.49Å; S989-L991 VanDerWaalsContact C-N 3.33Å; S989-L991 PolarHBondContact O-N 2.95Å; S989-S992 WeakPolarHBondContact O-CB 3.42Å; S989-S992 PolarHBondContact O-N 3.33Å; S989-M993 WeakPolarHBondContact O-CG 3.49Å; S989-M993 PolarHBondContact O-N 2.84Å
990	Q	72.3	Confident	74.9	Confident	121 Å²	121	70 Å²	70	57%	0.565	39%	0.386	S	S	*	.	H	α-helix	trans	-52.5	-46.3	-176.3	-169.3	-170.4	26.5	0	0	112.6	N986 E987 M993 K994	N986-Q990 PolarHBondContact O-N 3.35Å; N986-Q990 VanDerWaalsContact O-N 3.11Å; E987-Q990 WeakPolarHBondContact O-CB 3.49Å; E987-Q990 PolarHBondContact O-N 3.38Å; Q990-M993 PolarHBondContact O-N 2.84Å; Q990-K994 WeakPolarHBondContact O-CB 3.49Å; Q990-K994 PolarHBondContact O-N 3.34Å
991	L	75.4	Confident	74.8	Confident	121 Å²	121	69.8 Å²	69.8	63%	0.634	38%	0.382	S	S	*	.	H	α-helix	trans	-67.6	-38.5	179.7	-173.6	64.1	0	0	0	112.4	S989 K994 N995	S989-L991 VanDerWaalsContact C-N 3.33Å; S989-L991 PolarHBondContact O-N 2.95Å; L991-K994 PolarHBondContact O-N 2.93Å; L991-N995 WeakPolarHBondContact O-CB 3.41Å; L991-N995 VanDerWaalsContact O-CG 3.3Å; L991-N995 PolarHBondContact O-N 2.78Å; L991-N995 PolarHBondContact O-ND2 3.2Å
992	S	74.5	Confident	75	Confident	54 Å²	54	70 Å²	70	38%	0.378	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-41.1	176.9	-63	0	0	0	0	111.1	S989 N995 M996	S989-S992 WeakPolarHBondContact O-CB 3.42Å; S989-S992 PolarHBondContact O-N 3.33Å; S992-N995 PolarHBondContact O-N 2.88Å; S992-M996 WeakPolarHBondContact O-CB 3.4Å; S992-M996 PolarHBondContact O-N 2.88Å
993	M	76.3	Confident	75.2	Confident	6 Å²	6	73 Å²	73	3%	0.03	40%	0.403	C	S	.	.	H	α-helix	trans	-69.6	-40.8	177.1	-68.1	-56.7	-62.2	0	0	112	V983 C985 S989 Q990 N995 M996 I997 F1013 I1018	V983-M993 HydrophobicContact CB-CE 3.89Å; V983-M993 HydrophobicContact CG1-CE 3.38Å; V983-M993 HydrophobicContact CG2-CE 4.02Å; C985-M993 HydrophobicContact CB-CG 4.08Å; S989-M993 WeakPolarHBondContact O-CG 3.49Å; S989-M993 PolarHBondContact O-N 2.84Å; Q990-M993 PolarHBondContact O-N 2.84Å; M993-N995 VanDerWaalsContact C-N 3.34Å; M993-N995 PolarHBondContact O-N 2.92Å; M993-M996 HydrophobicContact CE-CE 3.31Å; M993-M996 WeakPolarHBondContact O-CB 3.02Å; M993-M996 PolarHBondContact O-N 3.22Å; M993-M996 HydrophobicContact SD-CE 3.79Å; M993-I997 WeakPolarHBondContact O-CG1 3.43Å; M993-I997 PolarHBondContact O-N 3.21Å; M993-F1013 HydrophobicContact SD-CE2 4.39Å; M993-F1013 HydrophobicContact SD-CZ 4.26Å; M993-I1018 HydrophobicContact CE-CG2 4.25Å; M993-I1018 HydrophobicContact SD-CD1 4.13Å
994	K	79.5	Confident	75.5	Confident	145 Å²	145	76.4 Å²	76.4	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-59.9	-43.1	173.9	-172.4	175.8	-178.6	177.1	0	111.9	Q990 L991 A998	Q990-K994 WeakPolarHBondContact O-CB 3.49Å; Q990-K994 PolarHBondContact O-N 3.34Å; L991-K994 PolarHBondContact O-N 2.93Å; K994-A998 VanDerWaalsContact O-CB 3.25Å; K994-A998 WeakPolarHBondContact O-CB 3.42Å; K994-A998 PolarHBondContact O-N 2.8Å
995	N	79.1	Confident	75.1	Confident	81 Å²	81	80.5 Å²	80.5	43%	0.433	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-35	175.6	-72.4	-20	0	0	0	112.5	L991 S992 M993 K999	L991-N995 WeakPolarHBondContact O-CB 3.41Å; L991-N995 VanDerWaalsContact O-CG 3.3Å; L991-N995 PolarHBondContact O-N 2.78Å; L991-N995 PolarHBondContact O-ND2 3.2Å; S992-N995 PolarHBondContact O-N 2.88Å; M993-N995 VanDerWaalsContact C-N 3.34Å; M993-N995 PolarHBondContact O-N 2.92Å; N995-K999 WeakPolarHBondContact O-CB 3.48Å; N995-K999 WeakPolarHBondContact O-CG 3.35Å; N995-K999 PolarHBondContact O-N 3.25Å; N995-K999 VanDerWaalsContact O-N 3.1Å
996	M	76.1	Confident	74.7	Confident	49 Å²	49	82.5 Å²	82.5	24%	0.241	44%	0.443	C	S	.	.	H	α-helix	trans	-65.9	-49.5	175.5	-174.3	174.4	82.9	0	0	111	S992 M993 K999 V1000 Y1006	S992-M996 WeakPolarHBondContact O-CB 3.4Å; S992-M996 PolarHBondContact O-N 2.88Å; M993-M996 HydrophobicContact CE-CE 3.31Å; M993-M996 WeakPolarHBondContact O-CB 3.02Å; M993-M996 PolarHBondContact O-N 3.22Å; M993-M996 HydrophobicContact SD-CE 3.79Å; M996-K999 PolarHBondContact O-N 2.88Å; M996-V1000 VanDerWaalsContact O-CG2 3.28Å; M996-V1000 WeakPolarHBondContact O-CG2 3.31Å; M996-V1000 PolarHBondContact O-N 2.83Å; M996-Y1006 HydrophobicContact CB-CD1 3.86Å; M996-Y1006 HydrophobicContact CB-CE1 3.99Å; M996-Y1006 HydrophobicContact CB-CG 4.47Å; M996-Y1006 HydrophobicContact CG-CD1 3.53Å; M996-Y1006 HydrophobicContact CG-CE1 4.09Å; M996-Y1006 HydrophobicContact CG-CG 4.21Å; M996-Y1006 HydrophobicContact SD-CD1 4.02Å; M996-Y1006 HydrophobicContact SD-CE1 4.37Å
997	I	77.9	Confident	74.1	Confident	54 Å²	54	87.1 Å²	87.1	28%	0.277	47%	0.466	S	S	.	.	H	α-helix	trans	-62.1	-46.1	178	-66.2	170.2	0	0	0	110.4	V983 M993 K999 V1000 D1001	V983-I997 HydrophobicContact CG2-CD1 4.23Å; M993-I997 WeakPolarHBondContact O-CG1 3.43Å; M993-I997 PolarHBondContact O-N 3.21Å; I997-K999 VanDerWaalsContact C-N 3.26Å; I997-K999 PolarHBondContact O-N 3.38Å; I997-V1000 PolarHBondContact O-N 3.12Å; I997-V1000 VanDerWaalsContact O-N 3.1Å; I997-D1001 PolarHBondContact O-N 3.05Å
998	A	77	Confident	73.5	Confident	54 Å²	54	83 Å²	83	45%	0.446	45%	0.451	S	S	.	.	H	α-helix	trans	-60.7	-33.4	178.3	0	0	0	0	0	113.3	K994 A1002	K994-A998 VanDerWaalsContact O-CB 3.25Å; K994-A998 WeakPolarHBondContact O-CB 3.42Å; K994-A998 PolarHBondContact O-N 2.8Å; A998-A1002 WeakPolarHBondContact O-CB 3.39Å; A998-A1002 PolarHBondContact O-N 2.53Å
999	K	77.9	Confident	72.7	Confident	80 Å²	80	83.6 Å²	83.6	35%	0.348	46%	0.459	S	S	.	.	H	α-helix	trans	-75.2	-37.7	174.4	-78	-175.9	168.2	-145.8	0	112.8	N995 M996 I997 A1002 D1003 E1004 Y1006	N995-K999 WeakPolarHBondContact O-CB 3.48Å; N995-K999 WeakPolarHBondContact O-CG 3.35Å; N995-K999 PolarHBondContact O-N 3.25Å; N995-K999 VanDerWaalsContact O-N 3.1Å; M996-K999 PolarHBondContact O-N 2.88Å; I997-K999 VanDerWaalsContact C-N 3.26Å; I997-K999 PolarHBondContact O-N 3.38Å; K999-A1002 CarbonylContact O-C 3.59Å; K999-A1002 PolarHBondContact O-N 3.48Å; K999-D1003 PolarHBondContact O-N 3.27Å; K999-E1004 CarbonylContact C-O 3.51Å; K999-E1004 HydrophobicContact CB-CB 4.22Å; K999-E1004 HydrophobicContact CG-CB 4.49Å; K999-E1004 IonicContact NZ-OE2 2.83Å; K999-E1004 PolarHBondContact O-N 2.78Å; K999-Y1006 HydrophobicContact CD-CD2 3.5Å; K999-Y1006 HydrophobicContact CD-CE2 4.19Å; K999-Y1006 HydrophobicContact CD-CG 4.32Å
1000	V	72.3	Confident	72.1	Confident	73 Å²	73	85.5 Å²	85.5	44%	0.442	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-44	173.1	171.5	0	0	0	0	110.6	T979 M996 I997 A1002 D1003	T979-V1000 HydrophobicContact CG2-CG1 3.97Å; M996-V1000 VanDerWaalsContact O-CG2 3.28Å; M996-V1000 WeakPolarHBondContact O-CG2 3.31Å; M996-V1000 PolarHBondContact O-N 2.83Å; I997-V1000 PolarHBondContact O-N 3.12Å; I997-V1000 VanDerWaalsContact O-N 3.1Å; V1000-A1002 PolarHBondContact O-N 2.88Å; V1000-D1003 PolarHBondContact O-N 2.97Å; V1000-D1003 VanDerWaalsContact O-N 3.14Å
1001	D	71.2	Confident	71.2	Confident	52 Å²	52	90.3 Å²	90.3	28%	0.278	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-28.7	176.5	-71.3	-26.5	0	0	0	112.6	T979 I997 D1003	T979-D1001 WeakPolarHBondContact CG2-OD1 3.34Å; T979-D1001 PolarHBondContact OG1-OD1 3.45Å; I997-D1001 PolarHBondContact O-N 3.05Å; D1001-D1003 VanDerWaalsContact C-N 3.34Å
1002	A	77.6	Confident	70.4	Confident	60 Å²	60	93.8 Å²	93.8	50%	0.496	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	9.2	176.3	0	0	0	0	0	114.4	A998 K999 V1000 E1004	A998-A1002 WeakPolarHBondContact O-CB 3.39Å; A998-A1002 PolarHBondContact O-N 2.53Å; K999-A1002 CarbonylContact O-C 3.59Å; K999-A1002 PolarHBondContact O-N 3.48Å; V1000-A1002 PolarHBondContact O-N 2.88Å; A1002-E1004 PolarHBondContact O-N 3.21Å
1003	D	76	Confident	69.8	Low	132 Å²	132	94.5 Å²	94.5	71%	0.706	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.9	-177.8	-57.7	-55.1	0	0	0	114.2	K978 K999 V1000 D1001	K978-D1003 IonicContact NZ-OD2 3.57Å; K999-D1003 PolarHBondContact O-N 3.27Å; V1000-D1003 PolarHBondContact O-N 2.97Å; V1000-D1003 VanDerWaalsContact O-N 3.14Å; D1001-D1003 VanDerWaalsContact C-N 3.34Å
1004	E	77.4	Confident	69.2	Low	103 Å²	103	97.5 Å²	97.5	48%	0.481	51%	0.514	S	S	.	.			trans	-95.3	125	175.3	-69.3	-170.5	177.8	0	0	111.6	K999 A1002 Y1006	K999-E1004 CarbonylContact C-O 3.51Å; K999-E1004 HydrophobicContact CB-CB 4.22Å; K999-E1004 HydrophobicContact CG-CB 4.49Å; K999-E1004 IonicContact NZ-OE2 2.83Å; K999-E1004 PolarHBondContact O-N 2.78Å; A1002-E1004 PolarHBondContact O-N 3.21Å; E1004-Y1006 PolarHBondContact O-N 3.23Å
1005	P	66.2	Low	68.5	Low	127 Å²	127	95.1 Å²	95.1	83%	0.825	51%	0.512	S	S	*	.			trans	-66.2	128.1	175.2	26	-32.3	0	0	0	111.1
1006	Y	67.9	Low	67.9	Low	83 Å²	83	97.8 Å²	97.8	33%	0.325	53%	0.526	S	S	.	.			trans	-112.5	125.8	176.8	-174.2	-101.5	0	0	0	111.5	M996 K999 E1004 P1008	M996-Y1006 HydrophobicContact CB-CD1 3.86Å; M996-Y1006 HydrophobicContact CB-CE1 3.99Å; M996-Y1006 HydrophobicContact CB-CG 4.47Å; M996-Y1006 HydrophobicContact CG-CD1 3.53Å; M996-Y1006 HydrophobicContact CG-CE1 4.09Å; M996-Y1006 HydrophobicContact CG-CG 4.21Å; M996-Y1006 HydrophobicContact SD-CD1 4.02Å; M996-Y1006 HydrophobicContact SD-CE1 4.37Å; K999-Y1006 HydrophobicContact CD-CD2 3.5Å; K999-Y1006 HydrophobicContact CD-CE2 4.19Å; K999-Y1006 HydrophobicContact CD-CG 4.32Å; E1004-Y1006 PolarHBondContact O-N 3.23Å; Y1006-P1008 HydrophobicContact CE1-CB 4.21Å
1007	I	63.7	Low	67.4	Low	136 Å²	136	99.3 Å²	99.3	70%	0.697	54%	0.535	S	S	*	.			trans	-116.9	110.6	177.2	-56.6	175.2	0	0	0	108.3	V1009	I1007-V1009 HydrophobicContact CG2-CG2 4.21Å; I1007-V1009 PolarHBondContact O-N 3.34Å
1008	P	61.9	Low	66.9	Low	56 Å²	56	99 Å²	99	36%	0.364	53%	0.533	S	S	.	.			trans	-72.3	117.8	173.5	27.3	-30.9	0	0	0	110.3	Y1006 F1013	Y1006-P1008 HydrophobicContact CE1-CB 4.21Å; P1008-F1013 HydrophobicContact CB-CD2 4.44Å
1009	V	55	Low	66.8	Low	140 Å²	140	102.7 Å²	102.7	85%	0.848	54%	0.542	S	S	*	.			trans	-107.1	48.4	179.7	-161.6	0	0	0	0	111.4	I1007	I1007-V1009 HydrophobicContact CG2-CG2 4.21Å; I1007-V1009 PolarHBondContact O-N 3.34Å
1010	S	58.7	Low	66.4	Low	68 Å²	68	102 Å²	102	48%	0.476	55%	0.551	S	S	.	*			trans	-116.5	125	-178.5	169.4	0	0	0	0	111.6	K1012 F1013	S1010-K1012 PolarHBondContact O-N 2.93Å; S1010-K1012 PolarHBondContact OG-N 3.43Å; S1010-K1012 VanDerWaalsContact OG-N 3.1Å; S1010-F1013 PolarHBondContact O-N 3.12Å; S1010-F1013 PolarHBondContact OG-N 3.35Å
1011	K	53.7	Low	66.3	Low	223 Å²	223	102.3 Å²	102.3	97%	0.97	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.5	170.3	-80.5	-173.5	176.7	-178.3	0	113.7
1012	K	58	Low	66.5	Low	194 Å²	194	106.5 Å²	106.5	84%	0.843	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	9.1	-179.6	-63.7	-173	177.2	-174.7	0	112.6	S1010 N1014	S1010-K1012 PolarHBondContact O-N 2.93Å; S1010-K1012 PolarHBondContact OG-N 3.43Å; S1010-K1012 VanDerWaalsContact OG-N 3.1Å; K1012-N1014 PolarHBondContact O-N 2.75Å
1013	F	63	Low	65.9	Low	68 Å²	68	108.3 Å²	108.3	30%	0.298	57%	0.568	S	S	.	*			trans	-72.9	99.1	174	-168.8	-100.1	0	0	0	108.2	M993 P1008 S1010 T1015 I1018	M993-F1013 HydrophobicContact SD-CE2 4.39Å; M993-F1013 HydrophobicContact SD-CZ 4.26Å; P1008-F1013 HydrophobicContact CB-CD2 4.44Å; S1010-F1013 PolarHBondContact O-N 3.12Å; S1010-F1013 PolarHBondContact OG-N 3.35Å; F1013-T1015 HydrophobicContact CD1-CG2 4.29Å; F1013-T1015 HydrophobicContact CE1-CG2 4.25Å; F1013-I1018 HydrophobicContact CE1-CD1 3.65Å; F1013-I1018 HydrophobicContact CE2-CD1 4.01Å; F1013-I1018 HydrophobicContact CZ-CD1 3.29Å
1014	N	63.1	Low	65.8	Low	70 Å²	70	108.3 Å²	108.3	37%	0.374	57%	0.568	S	S	.	*			trans	-83.1	113.5	178.1	-170	13.6	0	0	0	108.9	K1012 D1016 D1017	K1012-N1014 PolarHBondContact O-N 2.75Å; N1014-D1016 PolarHBondContact O-N 3.49Å; N1014-D1016 WeakPolarHBondContact OD1-CB 3.42Å; N1014-D1016 PolarHBondContact OD1-N 2.52Å; N1014-D1017 PolarHBondContact ND2-OD2 2.96Å
1015	T	65.2	Low	65.5	Low	94 Å²	94	104.8 Å²	104.8	58%	0.577	56%	0.556	S	S	*	*	S	Bend	trans	-71.6	-19.3	175.4	40.3	0	0	0	0	112.8	F1013 D1017 I1018	F1013-T1015 HydrophobicContact CD1-CG2 4.29Å; F1013-T1015 HydrophobicContact CE1-CG2 4.25Å; T1015-D1017 VanDerWaalsContact C-N 3.29Å; T1015-D1017 PolarHBondContact O-N 2.85Å; T1015-I1018 PolarHBondContact O-N 3.3Å
1016	D	66.8	Low	66.2	Low	137 Å²	137	103 Å²	103	73%	0.733	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.6	-169.1	-57.1	-11.7	0	0	0	112.2	N1014	N1014-D1016 PolarHBondContact O-N 3.49Å; N1014-D1016 WeakPolarHBondContact OD1-CB 3.42Å; N1014-D1016 PolarHBondContact OD1-N 2.52Å
1017	D	65.1	Low	67	Low	81 Å²	81	104.7 Å²	104.7	43%	0.433	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.7	9.1	179.3	-56.1	-35.3	0	0	0	113	N986 N1014 T1015	N986-D1017 PolarHBondContact ND2-OD2 2.73Å; N1014-D1017 PolarHBondContact ND2-OD2 2.96Å; T1015-D1017 VanDerWaalsContact C-N 3.29Å; T1015-D1017 PolarHBondContact O-N 2.85Å
1018	I	67.4	Low	68	Low	47 Å²	47	100.6 Å²	100.6	24%	0.241	54%	0.535	C	S	.	.			trans	-111.8	110.5	-175.4	-56.7	178.9	0	0	0	109.2	V983 A984 M993 F1013 T1015	V983-I1018 HydrophobicContact CG1-CG2 3.42Å; V983-I1018 VanDerWaalsContact CG1-CG2 3.42Å; A984-I1018 WeakPolarHBondContact O-CA 3.46Å; M993-I1018 HydrophobicContact CE-CG2 4.25Å; M993-I1018 HydrophobicContact SD-CD1 4.13Å; F1013-I1018 HydrophobicContact CE1-CD1 3.65Å; F1013-I1018 HydrophobicContact CE2-CD1 4.01Å; F1013-I1018 HydrophobicContact CZ-CD1 3.29Å; T1015-I1018 PolarHBondContact O-N 3.3Å
1019	Q	73.8	Confident	68.9	Low	132 Å²	132	98.1 Å²	98.1	62%	0.617	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	122.1	174.5	-171.6	180	13.4	0	0	110.3	A984	A984-Q1019 HydrophobicContact CB-CB 4.3Å; A984-Q1019 PolarHBondContact N-O 3.42Å; A984-Q1019 PolarHBondContact O-N 3.49Å
1020	A	71.1	Confident	70.2	Confident	65 Å²	65	97 Å²	97	54%	0.537	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118	171.9	0	0	0	0	0	109.9	V981	V981-A1020 HydrophobicContact CG1-CB 4.5Å
1021	I	70.2	Confident	71.5	Confident	81 Å²	81	98.7 Å²	98.7	42%	0.415	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.9	174.1	-57.9	169.4	0	0	0	107.1	V981 V982 A984	V981-I1021 CarbonylContact C-O 3.57Å; V981-I1021 WeakPolarHBondContact CA-O 3.09Å; V982-I1021 HydrophobicContact CB-CB 4.21Å; V982-I1021 PolarHBondContact N-O 2.93Å; V982-I1021 PolarHBondContact O-N 3.45Å; A984-I1021 HydrophobicContact CB-CD1 4.46Å
1022	Q	75.2	Confident	73	Confident	140 Å²	140	89.5 Å²	89.5	65%	0.654	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.3	177.7	-69.7	-179.9	-10.6	0	0	110.4	V981 N1024	V981-Q1022 HydrophobicContact CG1-CG 4.2Å; Q1022-N1024 VanDerWaalsContact C-N 3.34Å
1023	L	65.6	Low	74.2	Confident	97 Å²	97	84.2 Å²	84.2	51%	0.508	45%	0.454	S	S	.	.			trans	-83.1	-8.3	-179.2	-72.1	176.3	0	0	0	113.8	P980 V982 A1025	P980-L1023 PolarHBondContact O-N 3.22Å; V982-L1023 HydrophobicContact CG2-CD1 3.69Å; V982-L1023 HydrophobicContact CG2-CD2 3.75Å; V982-L1023 HydrophobicContact CG2-CG 3.77Å; L1023-A1025 PolarHBondContact O-N 3.31Å
1024	N	73.5	Confident	75.1	Confident	133 Å²	133	86 Å²	86	71%	0.711	46%	0.463	S	S	*	.			trans	42.8	37.8	-178.4	-67.3	-22.8	0	0	0	113.6	Q1022 P1026	Q1022-N1024 VanDerWaalsContact C-N 3.34Å; N1024-P1026 VanDerWaalsContact O-CD 3.29Å; N1024-P1026 WeakPolarHBondContact O-CD 3.06Å
1025	A	70.2	Confident	76.1	Confident	28 Å²	28	83.9 Å²	83.9	23%	0.231	46%	0.455	C	S	.	.			trans	-70.2	115.3	-174.6	0	0	0	0	0	110.2	A976 Q977 L1023	A976-A1025 HydrophobicContact CB-CB 4.02Å; Q977-A1025 PolarHBondContact NE2-O 3.47Å; L1023-A1025 PolarHBondContact O-N 3.31Å
1026	P	81.6	Confident	77	Confident	91 Å²	91	81.6 Å²	81.6	59%	0.591	44%	0.438	S	S	*	.			trans	-67.1	145.8	178.8	28.3	-34	0	0	0	110.7	N973 Q977 N1024 V1028	N973-P1026 PolarHBondContact ND2-O 2.89Å; Q977-P1026 PolarHBondContact NE2-O 3.47Å; N1024-P1026 VanDerWaalsContact O-CD 3.29Å; N1024-P1026 WeakPolarHBondContact O-CD 3.06Å; P1026-V1028 HydrophobicContact CB-CG1 4.32Å; P1026-V1028 HydrophobicContact CG-CG1 4.27Å; P1026-V1028 PolarHBondContact O-N 3.2Å; P1026-V1028 VanDerWaalsContact O-N 3.16Å
1027	F	84	Confident	77.5	Confident	118 Å²	118	79.7 Å²	79.7	52%	0.518	42%	0.424	S	S	.	.			trans	-74.9	103	172.6	-179.4	-114	0	0	0	109.6	Q977 A1029 L1030	Q977-F1027 HydrophobicContact CG-CD2 3.77Å; F1027-A1029 HydrophobicContact CD2-CB 4.16Å; F1027-A1029 HydrophobicContact CE2-CB 3.56Å; F1027-A1029 HydrophobicContact CZ-CB 3.97Å; F1027-L1030 HydrophobicContact CE1-CD1 3.75Å; F1027-L1030 HydrophobicContact CE1-CG 3.78Å; F1027-L1030 HydrophobicContact CZ-CG 4.19Å
1028	V	85.9	Confident	78.3	Confident	50 Å²	50	82.5 Å²	82.5	30%	0.303	43%	0.429	S	S	.	.			trans	-118.6	6.9	-179.6	-66	0	0	0	0	112.3	N973 P1026 L1030 D1031 L1032	N973-V1028 WeakPolarHBondContact ND2-CG2 3.4Å; N973-V1028 PolarHBondContact OD1-N 2.91Å; N973-V1028 VanDerWaalsContact OD1-N 3.09Å; P1026-V1028 HydrophobicContact CB-CG1 4.32Å; P1026-V1028 HydrophobicContact CG-CG1 4.27Å; P1026-V1028 PolarHBondContact O-N 3.2Å; P1026-V1028 VanDerWaalsContact O-N 3.16Å; V1028-L1030 VanDerWaalsContact C-N 3.26Å; V1028-L1030 PolarHBondContact O-N 3.31Å; V1028-D1031 PolarHBondContact O-N 3.27Å; V1028-D1031 VanDerWaalsContact O-N 3.15Å; V1028-L1032 HydrophobicContact CG2-CD1 3.98Å; V1028-L1032 HydrophobicContact CG2-CG 4.39Å; V1028-L1032 WeakPolarHBondContact O-CG 3.37Å; V1028-L1032 PolarHBondContact O-N 3.18Å
1029	A	80.6	Confident	78.9	Confident	4 Å²	4	80.8 Å²	80.8	3%	0.033	42%	0.42	C	S	.	.	H	α-helix	trans	-57.9	-36	-177.8	0	0	0	0	0	113	N973 F1027 L1032 L1033	N973-A1029 PolarHBondContact OD1-N 3.2Å; N973-A1029 VanDerWaalsContact OD1-N 3.15Å; F1027-A1029 HydrophobicContact CD2-CB 4.16Å; F1027-A1029 HydrophobicContact CE2-CB 3.56Å; F1027-A1029 HydrophobicContact CZ-CB 3.97Å; A1029-L1032 PolarHBondContact O-N 3.37Å; A1029-L1033 WeakPolarHBondContact O-CB 3.19Å; A1029-L1033 VanDerWaalsContact O-CG 3.26Å; A1029-L1033 WeakPolarHBondContact O-CG 3.37Å; A1029-L1033 PolarHBondContact O-N 3.31Å
1030	L	81.9	Confident	79	Confident	117 Å²	117	78.2 Å²	78.2	61%	0.613	41%	0.405	S	S	*	.	H	α-helix	trans	-63.4	-44.8	176.3	-72.2	171.5	0	0	0	112.3	F1027 V1028 L1032 L1033 E1034	F1027-L1030 HydrophobicContact CE1-CD1 3.75Å; F1027-L1030 HydrophobicContact CE1-CG 3.78Å; F1027-L1030 HydrophobicContact CZ-CG 4.19Å; V1028-L1030 VanDerWaalsContact C-N 3.26Å; V1028-L1030 PolarHBondContact O-N 3.31Å; L1030-L1032 VanDerWaalsContact C-N 3.34Å; L1030-L1033 PolarHBondContact O-N 3.48Å; L1030-E1034 PolarHBondContact O-N 3.34Å; L1030-E1034 VanDerWaalsContact O-N 3.07Å
1031	D	85	Confident	79.2	Confident	102 Å²	102	76.4 Å²	76.4	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-69	-36.4	179.6	-61.5	-26.8	0	0	0	111.2	V1028 E1034 A1035	V1028-D1031 PolarHBondContact O-N 3.27Å; V1028-D1031 VanDerWaalsContact O-N 3.15Å; D1031-E1034 PolarHBondContact O-N 3.36Å; D1031-A1035 PolarHBondContact O-N 2.98Å
1032	L	86.7	Confident	79.6	Confident	30 Å²	30	77 Å²	77	16%	0.157	39%	0.388	C	S	.	.	H	α-helix	trans	-67.5	-39.5	175.2	-68.2	174.4	0	0	0	112	L966 T969 I970 N973 V1028 A1029 L1030 E1034 A1035 Q1036	L966-L1032 HydrophobicContact CD2-CD2 3.84Å; T969-L1032 HydrophobicContact CG2-CD1 3.84Å; T969-L1032 HydrophobicContact CG2-CD2 4.48Å; I970-L1032 HydrophobicContact CD1-CB 4.06Å; I970-L1032 HydrophobicContact CG1-CB 3.47Å; I970-L1032 VanDerWaalsContact CG1-CB 3.47Å; I970-L1032 HydrophobicContact CG1-CD1 4.08Å; I970-L1032 HydrophobicContact CG1-CG 4.42Å; N973-L1032 HydrophobicContact CB-CD1 4.46Å; V1028-L1032 HydrophobicContact CG2-CD1 3.98Å; V1028-L1032 HydrophobicContact CG2-CG 4.39Å; V1028-L1032 WeakPolarHBondContact O-CG 3.37Å; V1028-L1032 PolarHBondContact O-N 3.18Å; A1029-L1032 PolarHBondContact O-N 3.37Å; L1030-L1032 VanDerWaalsContact C-N 3.34Å; L1032-E1034 VanDerWaalsContact C-N 3.33Å; L1032-A1035 WeakPolarHBondContact O-CB 3.34Å; L1032-A1035 PolarHBondContact O-N 3.48Å; L1032-Q1036 WeakPolarHBondContact O-CB 3.37Å; L1032-Q1036 PolarHBondContact O-N 3.03Å
1033	L	82.5	Confident	79.7	Confident	83 Å²	83	70.3 Å²	70.3	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-39.8	172.4	-76.2	166.4	0	0	0	111.4	I970 A1029 L1030 Q1036 Q1037	I970-L1033 HydrophobicContact CD1-CD2 4.01Å; I970-L1033 HydrophobicContact CD1-CG 4.21Å; A1029-L1033 WeakPolarHBondContact O-CB 3.19Å; A1029-L1033 VanDerWaalsContact O-CG 3.26Å; A1029-L1033 WeakPolarHBondContact O-CG 3.37Å; A1029-L1033 PolarHBondContact O-N 3.31Å; L1030-L1033 PolarHBondContact O-N 3.48Å; L1033-Q1036 PolarHBondContact O-N 2.93Å; L1033-Q1037 PolarHBondContact O-N 3.18Å
1034	E	82.3	Confident	80.1	Confident	106 Å²	106	66.1 Å²	66.1	50%	0.495	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-38.7	173.8	-166.1	-172.3	158.2	0	0	111.8	L1030 D1031 L1032 Q1037 R1038	L1030-E1034 PolarHBondContact O-N 3.34Å; L1030-E1034 VanDerWaalsContact O-N 3.07Å; D1031-E1034 PolarHBondContact O-N 3.36Å; L1032-E1034 VanDerWaalsContact C-N 3.33Å; E1034-Q1037 PolarHBondContact O-N 3.01Å; E1034-R1038 WeakPolarHBondContact O-CB 3.47Å; E1034-R1038 WeakPolarHBondContact O-CG 3.34Å; E1034-R1038 PolarHBondContact O-N 3.34Å; E1034-R1038 PolarHBondContact O-NE 3.12Å; E1034-R1038 IonicContact OE1-CZ 2.69Å; E1034-R1038 IonicContact OE1-NH1 3.92Å
1035	A	84.5	Confident	80.3	Confident	25 Å²	25	61 Å²	61	21%	0.207	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-40.4	173.3	0	0	0	0	0	112.4	L966 D1031 L1032 R1038 L1039	L966-A1035 HydrophobicContact CD1-CB 4.35Å; L966-A1035 HydrophobicContact CD2-CB 4.49Å; D1031-A1035 PolarHBondContact O-N 2.98Å; L1032-A1035 WeakPolarHBondContact O-CB 3.34Å; L1032-A1035 PolarHBondContact O-N 3.48Å; A1035-R1038 PolarHBondContact O-N 2.84Å; A1035-L1039 PolarHBondContact O-N 2.9Å
1036	Q	83.7	Confident	80.5	Confident	47 Å²	47	61.8 Å²	61.8	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-48.8	174.7	-172.4	-176.3	37.7	0	0	110.6	L963 D967 I970 L1032 L1033 R1038 L1039 Y1040	L963-Q1036 HydrophobicContact CD2-CG 3.94Å; D967-Q1036 PolarHBondContact OD1-NE2 2.8Å; I970-Q1036 HydrophobicContact CD1-CB 4.4Å; L1032-Q1036 WeakPolarHBondContact O-CB 3.37Å; L1032-Q1036 PolarHBondContact O-N 3.03Å; L1033-Q1036 PolarHBondContact O-N 2.93Å; Q1036-R1038 VanDerWaalsContact C-N 3.32Å; Q1036-R1038 PolarHBondContact O-N 3.4Å; Q1036-L1039 PolarHBondContact O-N 3.07Å; Q1036-Y1040 WeakPolarHBondContact O-CB 3.36Å; Q1036-Y1040 PolarHBondContact O-N 2.84Å
1037	Q	77.2	Confident	80	Confident	96 Å²	96	58.3 Å²	58.3	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-39.7	177.4	-173.3	65.1	53.5	0	0	112.2	L1033 E1034 Y1040 N1041	L1033-Q1037 PolarHBondContact O-N 3.18Å; E1034-Q1037 PolarHBondContact O-N 3.01Å; Q1037-Y1040 PolarHBondContact O-N 3.45Å; Q1037-N1041 PolarHBondContact NE2-OD1 2.91Å; Q1037-N1041 WeakPolarHBondContact O-CB 3.43Å; Q1037-N1041 PolarHBondContact O-N 3.42Å; Q1037-N1041 PolarHBondContact O-ND2 2.95Å; Q1037-N1041 PolarHBondContact O-OD1 2.97Å
1038	R	81.4	Confident	79.3	Confident	141 Å²	141	52.8 Å²	52.8	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-43.6	176.4	-77.7	-177.9	-71.7	-159.7	-1.9	112.4	E1034 A1035 Q1036 Y1040 N1041 Q1042	E1034-R1038 WeakPolarHBondContact O-CB 3.47Å; E1034-R1038 WeakPolarHBondContact O-CG 3.34Å; E1034-R1038 PolarHBondContact O-N 3.34Å; E1034-R1038 PolarHBondContact O-NE 3.12Å; E1034-R1038 IonicContact OE1-CZ 2.69Å; E1034-R1038 IonicContact OE1-NH1 3.92Å; A1035-R1038 PolarHBondContact O-N 2.84Å; Q1036-R1038 VanDerWaalsContact C-N 3.32Å; Q1036-R1038 PolarHBondContact O-N 3.4Å; R1038-Y1040 VanDerWaalsContact C-N 3.34Å; R1038-N1041 PolarHBondContact O-N 3.23Å; R1038-Q1042 WeakPolarHBondContact O-CB 3.47Å; R1038-Q1042 PolarHBondContact O-N 3Å
1039	L	79.8	Confident	78.6	Confident	11 Å²	11	51 Å²	51	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-36.4	176.3	-80.7	161.8	0	0	0	112.5	L959 R962 L963 L966 A1035 Q1036 Q1042 G1043	L959-L1039 HydrophobicContact CD2-CD2 3.67Å; R962-L1039 HydrophobicContact CB-CD1 4.4Å; L963-L1039 HydrophobicContact CD2-CB 3.73Å; L963-L1039 HydrophobicContact CG-CB 4.26Å; L966-L1039 HydrophobicContact CD1-CD1 3.18Å; L966-L1039 HydrophobicContact CG-CD1 4.5Å; A1035-L1039 PolarHBondContact O-N 2.9Å; Q1036-L1039 PolarHBondContact O-N 3.07Å; L1039-Q1042 WeakPolarHBondContact O-CB 3.32Å; L1039-Q1042 PolarHBondContact O-N 2.83Å; L1039-G1043 PolarHBondContact O-N 2.84Å
1040	Y	76.4	Confident	78	Confident	77 Å²	77	53.4 Å²	53.4	30%	0.302	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-47.1	172.9	-172.4	-95.9	0	0	0	111.3	Q1036 Q1037 R1038 Q1042 G1043 N1044	Q1036-Y1040 WeakPolarHBondContact O-CB 3.36Å; Q1036-Y1040 PolarHBondContact O-N 2.84Å; Q1037-Y1040 PolarHBondContact O-N 3.45Å; R1038-Y1040 VanDerWaalsContact C-N 3.34Å; Y1040-Q1042 VanDerWaalsContact C-N 3.28Å; Y1040-Q1042 PolarHBondContact O-N 2.93Å; Y1040-G1043 PolarHBondContact O-N 2.94Å; Y1040-G1043 VanDerWaalsContact O-N 3.13Å; Y1040-N1044 WeakPolarHBondContact CD1-ND2 3.4Å; Y1040-N1044 WeakPolarHBondContact CE1-ND2 3.05Å; Y1040-N1044 PolarHBondContact O-N 3.22Å
1041	N	75.3	Confident	77.2	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.144	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-34.5	175.5	-66.4	-9.4	0	0	0	112.3	Q1037 R1038 N1044 S1045	Q1037-N1041 PolarHBondContact NE2-OD1 2.91Å; Q1037-N1041 WeakPolarHBondContact O-CB 3.43Å; Q1037-N1041 PolarHBondContact O-N 3.42Å; Q1037-N1041 PolarHBondContact O-ND2 2.95Å; Q1037-N1041 PolarHBondContact O-OD1 2.97Å; R1038-N1041 PolarHBondContact O-N 3.23Å; N1041-N1044 PolarHBondContact O-N 2.84Å; N1041-S1045 WeakPolarHBondContact O-CB 3.45Å; N1041-S1045 PolarHBondContact O-N 2.83Å; N1041-S1045 PolarHBondContact O-OG 2.89Å
1042	Q	79.4	Confident	75.9	Confident	93 Å²	93	45.5 Å²	45.5	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-44.6	172.9	-174.3	179.2	6.4	0	0	111.1	L959 R1038 L1039 Y1040 N1044 S1045 M1046	L959-Q1042 HydrophobicContact CD2-CG 4.48Å; R1038-Q1042 WeakPolarHBondContact O-CB 3.47Å; R1038-Q1042 PolarHBondContact O-N 3Å; L1039-Q1042 WeakPolarHBondContact O-CB 3.32Å; L1039-Q1042 PolarHBondContact O-N 2.83Å; Y1040-Q1042 VanDerWaalsContact C-N 3.28Å; Y1040-Q1042 PolarHBondContact O-N 2.93Å; Q1042-N1044 PolarHBondContact O-N 2.92Å; Q1042-S1045 PolarHBondContact O-N 2.86Å; Q1042-M1046 WeakPolarHBondContact O-CG 3.24Å; Q1042-M1046 PolarHBondContact O-N 3.03Å
1043	G	76.7	Confident	74.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-45.2	174.8	0	0	0	0	0	112.6	L1039 Y1040 S1045 M1046 L1047	L1039-G1043 PolarHBondContact O-N 2.84Å; Y1040-G1043 PolarHBondContact O-N 2.94Å; Y1040-G1043 VanDerWaalsContact O-N 3.13Å; G1043-S1045 PolarHBondContact O-N 3.26Å; G1043-M1046 PolarHBondContact O-N 2.95Å; G1043-L1047 PolarHBondContact O-N 3.02Å
1044	N	74.1	Confident	72.9	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.4	-71.4	-20.8	0	0	0	112.2	Y1040 N1041 Q1042 M1046 L1047 G1048 I1049	Y1040-N1044 WeakPolarHBondContact CD1-ND2 3.4Å; Y1040-N1044 WeakPolarHBondContact CE1-ND2 3.05Å; Y1040-N1044 PolarHBondContact O-N 3.22Å; N1041-N1044 PolarHBondContact O-N 2.84Å; Q1042-N1044 PolarHBondContact O-N 2.92Å; N1044-M1046 VanDerWaalsContact C-N 3.29Å; N1044-M1046 PolarHBondContact O-N 2.83Å; N1044-L1047 PolarHBondContact O-N 2.86Å; N1044-L1047 VanDerWaalsContact O-N 3.11Å; N1044-G1048 PolarHBondContact O-N 3.35Å; N1044-G1048 VanDerWaalsContact O-N 3.09Å; N1044-I1049 CarbonylContact C-O 3.57Å; N1044-I1049 HydrophobicContact CB-CB 4.1Å; N1044-I1049 HydrophobicContact CB-CG2 4.42Å; N1044-I1049 PolarHBondContact O-N 3.04Å
1045	S	77.2	Confident	71.2	Confident	25 Å²	25	51.6 Å²	51.6	18%	0.175	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-34.5	178.2	-59	0	0	0	0	112.3	N1041 Q1042 G1043 L1047 G1048 N1075	N1041-S1045 WeakPolarHBondContact O-CB 3.45Å; N1041-S1045 PolarHBondContact O-N 2.83Å; N1041-S1045 PolarHBondContact O-OG 2.89Å; Q1042-S1045 PolarHBondContact O-N 2.86Å; G1043-S1045 PolarHBondContact O-N 3.26Å; S1045-L1047 VanDerWaalsContact C-N 3.35Å; S1045-G1048 PolarHBondContact O-N 3.49Å; S1045-N1075 PolarHBondContact O-ND2 3.13Å
1046	M	73.7	Confident	69.8	Low	45 Å²	45	56.6 Å²	56.6	22%	0.222	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-29.6	174.8	-68.3	-171.1	80.6	0	0	113.4	L959 Q1042 G1043 N1044 G1048 R1079	L959-M1046 HydrophobicContact CD1-SD 3.54Å; L959-M1046 VanDerWaalsContact CD1-SD 3.54Å; Q1042-M1046 WeakPolarHBondContact O-CG 3.24Å; Q1042-M1046 PolarHBondContact O-N 3.03Å; G1043-M1046 PolarHBondContact O-N 2.95Å; N1044-M1046 VanDerWaalsContact C-N 3.29Å; N1044-M1046 PolarHBondContact O-N 2.83Å; M1046-G1048 VanDerWaalsContact C-N 3.27Å; M1046-R1079 PolarHBondContact O-NH2 3.24Å
1047	L	72	Confident	68.2	Low	18 Å²	18	59.9 Å²	59.9	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-79.3	-11.3	172.3	-66.8	175.7	0	0	0	112.7	Y858 T861 I862 F886 F956 G1043 N1044 S1045 I1049	Y858-L1047 HydrophobicContact CD1-CD1 3.84Å; Y858-L1047 HydrophobicContact CE1-CD1 4.1Å; T861-L1047 HydrophobicContact CG2-CD1 4.38Å; I862-L1047 HydrophobicContact CG1-CD1 4.23Å; I862-L1047 HydrophobicContact CG1-CD2 4.15Å; F886-L1047 HydrophobicContact CD2-CD2 4.39Å; F886-L1047 HydrophobicContact CE2-CD2 3.71Å; F886-L1047 HydrophobicContact CZ-CD2 4.23Å; F956-L1047 HydrophobicContact CE2-CD1 4.38Å; G1043-L1047 PolarHBondContact O-N 3.02Å; N1044-L1047 PolarHBondContact O-N 2.86Å; N1044-L1047 VanDerWaalsContact O-N 3.11Å; S1045-L1047 VanDerWaalsContact C-N 3.35Å; L1047-I1049 HydrophobicContact CB-CD1 3.88Å; L1047-I1049 HydrophobicContact CB-CG1 4.08Å; L1047-I1049 HydrophobicContact CD1-CD1 4.12Å
1048	G	70.1	Confident	67	Low	1 Å²	1	64.4 Å²	64.4	1%	0.01	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	21.5	-176.1	0	0	0	0	0	113.5	N1044 S1045 M1046 A1072 R1076	N1044-G1048 PolarHBondContact O-N 3.35Å; N1044-G1048 VanDerWaalsContact O-N 3.09Å; S1045-G1048 PolarHBondContact O-N 3.49Å; M1046-G1048 VanDerWaalsContact C-N 3.27Å; G1048-A1072 WeakPolarHBondContact CA-O 3.2Å; G1048-R1076 PolarHBondContact O-NE 3.37Å; G1048-R1076 PolarHBondContact O-NH2 3.38Å
1049	I	70.5	Confident	65.9	Low	14 Å²	14	68.4 Å²	68.4	7%	0.072	33%	0.334	C	S	.	.			trans	-94	127.1	178.2	-58.4	167.1	0	0	0	108.3	T861 F865 N1044 L1047 S1051 A1072	T861-I1049 HydrophobicContact CG2-CD1 3.28Å; F865-I1049 HydrophobicContact CB-CD1 4.04Å; F865-I1049 HydrophobicContact CB-CG1 4.08Å; F865-I1049 HydrophobicContact CD1-CD1 4.35Å; F865-I1049 HydrophobicContact CD1-CG1 3.93Å; F865-I1049 HydrophobicContact CD2-CD1 3.36Å; F865-I1049 HydrophobicContact CD2-CG1 3.87Å; F865-I1049 HydrophobicContact CE1-CG1 4.3Å; F865-I1049 HydrophobicContact CE1-CG2 4.13Å; F865-I1049 HydrophobicContact CE2-CD1 3.83Å; F865-I1049 HydrophobicContact CE2-CG1 4.27Å; F865-I1049 HydrophobicContact CE2-CG2 4.2Å; F865-I1049 HydrophobicContact CG-CD1 3.66Å; F865-I1049 HydrophobicContact CG-CG1 3.69Å; F865-I1049 HydrophobicContact CZ-CD1 4.48Å; F865-I1049 HydrophobicContact CZ-CG1 4.47Å; F865-I1049 HydrophobicContact CZ-CG2 3.92Å; N1044-I1049 CarbonylContact C-O 3.57Å; N1044-I1049 HydrophobicContact CB-CB 4.1Å; N1044-I1049 HydrophobicContact CB-CG2 4.42Å; N1044-I1049 PolarHBondContact O-N 3.04Å; L1047-I1049 HydrophobicContact CB-CD1 3.88Å; L1047-I1049 HydrophobicContact CB-CG1 4.08Å; L1047-I1049 HydrophobicContact CD1-CD1 4.12Å; I1049-S1051 PolarHBondContact O-N 3.4Å; I1049-A1072 WeakPolarHBondContact O-CB 3.43Å
1050	T	68.3	Low	64.9	Low	53 Å²	53	70.1 Å²	70.1	33%	0.325	34%	0.343	S	S	.	.			trans	-79.7	116.2	176.9	63.6	0	0	0	0	109.7	N1069 A1072 L1073	T1050-N1069 HydrophobicContact CG2-CB 3.94Å; T1050-A1072 HydrophobicContact CG2-CB 4.11Å; T1050-L1073 HydrophobicContact CG2-CD2 4.48Å
1051	S	64.9	Low	64.6	Low	28 Å²	28	72 Å²	72	20%	0.196	36%	0.356	C	S	.	.			trans	-112.2	87.3	176.6	64	0	0	0	0	109.3	I1049	I1049-S1051 PolarHBondContact O-N 3.4Å
1052	V	57.8	Low	64.1	Low	26 Å²	26	75.5 Å²	75.5	16%	0.158	38%	0.379	C	S	.	.			trans	-81.4	125.5	167.8	-173.5	0	0	0	0	107.4	A1054 K1057 V1065	V1052-A1054 PolarHBondContact O-N 2.66Å; V1052-K1057 HydrophobicContact CB-CB 4.47Å; V1052-K1057 HydrophobicContact CB-CD 4.34Å; V1052-K1057 HydrophobicContact CB-CG 4.36Å; V1052-K1057 HydrophobicContact CG1-CB 3.74Å; V1052-K1057 HydrophobicContact CG1-CD 4.45Å; V1052-K1057 HydrophobicContact CG1-CG 3.95Å; V1052-V1065 HydrophobicContact CG2-CG1 4.01Å
1053	I	56	Low	63.4	Low	89 Å²	89	74.7 Å²	74.7	46%	0.456	38%	0.384	S	S	.	.			trans	-52.5	111.8	171.6	-62	170.1	0	0	0	107.1	Q1055 K1056 K1057	I1053-Q1055 HydrophobicContact CG2-CB 4.18Å; I1053-Q1055 PolarHBondContact O-N 3.16Å; I1053-K1056 PolarHBondContact O-N 3.22Å; I1053-K1057 PolarHBondContact O-N 3.28Å
1054	A	50.2	Low	62.6	Low	84 Å²	84	79.7 Å²	79.7	69%	0.694	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.5	-172.4	0	0	0	0	0	112.2	V1052 K1056	V1052-A1054 PolarHBondContact O-N 2.66Å; A1054-K1056 VanDerWaalsContact C-N 3.28Å; A1054-K1056 PolarHBondContact O-N 3.16Å
1055	Q	46.9	Very low	62	Low	174 Å²	174	80.5 Å²	80.5	81%	0.813	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.6	179	-62	-173	-11.9	0	0	115	I1053	I1053-Q1055 HydrophobicContact CG2-CB 4.18Å; I1053-Q1055 PolarHBondContact O-N 3.16Å
1056	K	54.4	Low	61.4	Low	129 Å²	129	85.2 Å²	85.2	56%	0.561	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-13.3	179.5	-76.7	-173.8	177.2	178.4	0	114.7	I1053 A1054 E1058 R1059 M1060	I1053-K1056 PolarHBondContact O-N 3.22Å; A1054-K1056 VanDerWaalsContact C-N 3.28Å; A1054-K1056 PolarHBondContact O-N 3.16Å; K1056-E1058 PolarHBondContact O-N 3.38Å; K1056-E1058 VanDerWaalsContact O-N 3.12Å; K1056-R1059 PolarHBondContact O-N 2.91Å; K1056-M1060 HydrophobicContact CB-CE 3.71Å; K1056-M1060 HydrophobicContact CD-CE 4.27Å; K1056-M1060 WeakPolarHBondContact O-CB 3.28Å; K1056-M1060 PolarHBondContact O-N 3.4Å
1057	K	49.4	Very low	61	Low	116 Å²	116	87.3 Å²	87.3	50%	0.504	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.1	-174	-164.6	174.3	-179	-179.7	0	112.8	V1052 I1053	V1052-K1057 HydrophobicContact CB-CB 4.47Å; V1052-K1057 HydrophobicContact CB-CD 4.34Å; V1052-K1057 HydrophobicContact CB-CG 4.36Å; V1052-K1057 HydrophobicContact CG1-CB 3.74Å; V1052-K1057 HydrophobicContact CG1-CD 4.45Å; V1052-K1057 HydrophobicContact CG1-CG 3.95Å; I1053-K1057 PolarHBondContact O-N 3.28Å
1058	E	53.5	Low	60.7	Low	192 Å²	192	89.7 Å²	89.7	90%	0.897	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.5	-179.4	-56.7	-177.1	-173.9	0	0	114.7	K1056	K1056-E1058 PolarHBondContact O-N 3.38Å; K1056-E1058 VanDerWaalsContact O-N 3.12Å
1059	R	56.3	Low	60.8	Low	224 Å²	224	90.5 Å²	90.5	85%	0.845	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-11	-175	-60.1	-174.5	-173.8	-157.4	2	113.7	K1056	K1056-R1059 PolarHBondContact O-N 2.91Å
1060	M	59.2	Low	61	Low	48 Å²	48	92.1 Å²	92.1	24%	0.236	49%	0.488	C	S	.	.	S	Bend	trans	-92.4	136.2	-170.5	-156.4	-178.4	-60.5	0	0	109.7	K1056 E1064 V1065	K1056-M1060 HydrophobicContact CB-CE 3.71Å; K1056-M1060 HydrophobicContact CD-CE 4.27Å; K1056-M1060 WeakPolarHBondContact O-CB 3.28Å; K1056-M1060 PolarHBondContact O-N 3.4Å; M1060-E1064 HydrophobicContact CG-CB 3.38Å; M1060-E1064 HydrophobicContact CG-CG 4.28Å; M1060-E1064 WeakPolarHBondContact CG-OE2 3.19Å; M1060-E1064 HydrophobicContact SD-CB 3.82Å; M1060-V1065 HydrophobicContact CB-CG2 3.86Å; M1060-V1065 HydrophobicContact CG-CG2 4.02Å; M1060-V1065 HydrophobicContact SD-CG2 3.93Å
1061	I	70	Confident	61.4	Low	115 Å²	115	95 Å²	95	59%	0.59	50%	0.502	S	S	*	.			trans	-69.3	145.2	178.9	-48.5	173.4	0	0	0	107.8	S1063 E1064 V1065	I1061-S1063 PolarHBondContact O-N 3.49Å; I1061-E1064 PolarHBondContact N-OE2 3.18Å; I1061-E1064 WeakPolarHBondContact O-CA 3.46Å; I1061-E1064 WeakPolarHBondContact O-CB 3.21Å; I1061-E1064 PolarHBondContact O-N 3.38Å; I1061-V1065 PolarHBondContact O-N 3.18Å; I1061-V1065 VanDerWaalsContact O-N 3.14Å
1062	T	66.1	Low	62	Low	102 Å²	102	93.8 Å²	93.8	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-49.6	-38.6	-176.9	-49.7	0	0	0	0	113.3	E1064 V1065 E1066	T1062-E1064 VanDerWaalsContact C-N 3.33Å; T1062-E1064 PolarHBondContact O-N 3.44Å; T1062-V1065 PolarHBondContact O-N 3.46Å; T1062-E1066 WeakPolarHBondContact O-CG 3.4Å; T1062-E1066 PolarHBondContact O-N 2.88Å
1063	S	63.7	Low	62.9	Low	76 Å²	76	95.5 Å²	95.5	53%	0.531	50%	0.501	S	S	.	.	H	α-helix	trans	-65.3	-31.6	176.6	55.6	0	0	0	0	114	I1061 S1067	I1061-S1063 PolarHBondContact O-N 3.49Å; S1063-S1067 WeakPolarHBondContact O-CB 3.12Å; S1063-S1067 PolarHBondContact O-N 3.45Å
1064	E	59.4	Low	64.1	Low	104 Å²	104	93.9 Å²	93.9	49%	0.486	50%	0.501	S	S	.	.	H	α-helix	trans	-74.5	-36.9	174.1	-82.1	-179.2	143	0	0	111.2	M1060 I1061 T1062 S1067 S1068	M1060-E1064 HydrophobicContact CG-CB 3.38Å; M1060-E1064 HydrophobicContact CG-CG 4.28Å; M1060-E1064 WeakPolarHBondContact CG-OE2 3.19Å; M1060-E1064 HydrophobicContact SD-CB 3.82Å; I1061-E1064 PolarHBondContact N-OE2 3.18Å; I1061-E1064 WeakPolarHBondContact O-CA 3.46Å; I1061-E1064 WeakPolarHBondContact O-CB 3.21Å; I1061-E1064 PolarHBondContact O-N 3.38Å; T1062-E1064 VanDerWaalsContact C-N 3.33Å; T1062-E1064 PolarHBondContact O-N 3.44Å; E1064-S1067 PolarHBondContact O-N 2.76Å; E1064-S1068 WeakPolarHBondContact O-CB 3.41Å; E1064-S1068 PolarHBondContact O-N 3.24Å
1065	V	61.7	Low	65.5	Low	27 Å²	27	92.6 Å²	92.6	16%	0.164	48%	0.483	C	S	.	.	H	α-helix	trans	-63.5	-43.9	174.8	179.1	0	0	0	0	110.5	V1052 M1060 I1061 T1062 S1068 N1069	V1052-V1065 HydrophobicContact CG2-CG1 4.01Å; M1060-V1065 HydrophobicContact CB-CG2 3.86Å; M1060-V1065 HydrophobicContact CG-CG2 4.02Å; M1060-V1065 HydrophobicContact SD-CG2 3.93Å; I1061-V1065 PolarHBondContact O-N 3.18Å; I1061-V1065 VanDerWaalsContact O-N 3.14Å; T1062-V1065 PolarHBondContact O-N 3.46Å; V1065-S1068 PolarHBondContact O-N 2.9Å; V1065-N1069 WeakPolarHBondContact O-CB 3.22Å; V1065-N1069 PolarHBondContact O-N 2.66Å; V1065-N1069 PolarHBondContact O-ND2 3.26Å
1066	E	65.2	Low	67	Low	125 Å²	125	85.6 Å²	85.6	58%	0.584	45%	0.449	S	S	*	.	H	α-helix	trans	-62.8	-42.1	174.1	-72.6	178.4	175.8	0	0	112	T1062 S1068 N1069 A1070	T1062-E1066 WeakPolarHBondContact O-CG 3.4Å; T1062-E1066 PolarHBondContact O-N 2.88Å; E1066-S1068 VanDerWaalsContact C-N 3.33Å; E1066-S1068 PolarHBondContact O-N 3.02Å; E1066-N1069 PolarHBondContact O-N 3.35Å; E1066-A1070 PolarHBondContact O-N 2.74Å; E1066-A1070 VanDerWaalsContact O-N 3.07Å
1067	S	65.8	Low	68.1	Low	89 Å²	89	87.7 Å²	87.7	62%	0.622	45%	0.453	S	S	*	.	H	α-helix	trans	-63.9	-37.4	175.1	-174.2	0	0	0	0	112.3	S1063 E1064 N1069 A1070	S1063-S1067 WeakPolarHBondContact O-CB 3.12Å; S1063-S1067 PolarHBondContact O-N 3.45Å; E1064-S1067 PolarHBondContact O-N 2.76Å; S1067-N1069 VanDerWaalsContact C-N 3.33Å; S1067-A1070 WeakPolarHBondContact O-CB 3.42Å
1068	S	64.1	Low	69.8	Low	68 Å²	68	83.4 Å²	83.4	48%	0.476	44%	0.438	S	S	.	.	H	α-helix	trans	-72	-29.6	178.9	-172.9	0	0	0	0	112.3	E1064 V1065 E1066	E1064-S1068 WeakPolarHBondContact O-CB 3.41Å; E1064-S1068 PolarHBondContact O-N 3.24Å; V1065-S1068 PolarHBondContact O-N 2.9Å; E1066-S1068 VanDerWaalsContact C-N 3.33Å; E1066-S1068 PolarHBondContact O-N 3.02Å
1069	N	72.7	Confident	71.1	Confident	18 Å²	18	74.8 Å²	74.8	10%	0.096	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	0.9	-179.6	-72.2	-21.6	0	0	0	113.2	T1050 V1065 E1066 S1067 D1071 A1072 L1073	T1050-N1069 HydrophobicContact CG2-CB 3.94Å; V1065-N1069 WeakPolarHBondContact O-CB 3.22Å; V1065-N1069 PolarHBondContact O-N 2.66Å; V1065-N1069 PolarHBondContact O-ND2 3.26Å; E1066-N1069 PolarHBondContact O-N 3.35Å; S1067-N1069 VanDerWaalsContact C-N 3.33Å; N1069-D1071 VanDerWaalsContact C-N 3.3Å; N1069-D1071 PolarHBondContact O-N 3.22Å; N1069-A1072 PolarHBondContact O-N 3.22Å; N1069-L1073 HydrophobicContact CB-CD1 4.24Å; N1069-L1073 HydrophobicContact CB-CG 4.45Å; N1069-L1073 WeakPolarHBondContact O-CB 3.43Å; N1069-L1073 WeakPolarHBondContact O-CG 3.21Å; N1069-L1073 PolarHBondContact O-N 3.12Å
1070	A	75.4	Confident	72.2	Confident	47 Å²	47	65.8 Å²	65.8	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-41.5	-173.3	0	0	0	0	0	112.8	E1066 S1067 L1073 A1074	E1066-A1070 PolarHBondContact O-N 2.74Å; E1066-A1070 VanDerWaalsContact O-N 3.07Å; S1067-A1070 WeakPolarHBondContact O-CB 3.42Å; A1070-L1073 PolarHBondContact O-N 3.06Å; A1070-A1074 VanDerWaalsContact O-CB 3.27Å; A1070-A1074 WeakPolarHBondContact O-CB 3.45Å; A1070-A1074 PolarHBondContact O-N 3.32Å
1071	D	76.8	Confident	73.4	Confident	115 Å²	115	68.8 Å²	68.8	62%	0.615	38%	0.382	S	S	*	.	H	α-helix	trans	-68	-43.9	180	-70	-14.7	0	0	0	112.1	N1069 A1074 N1075	N1069-D1071 VanDerWaalsContact C-N 3.3Å; N1069-D1071 PolarHBondContact O-N 3.22Å; D1071-A1074 PolarHBondContact O-N 3.49Å; D1071-N1075 PolarHBondContact O-N 3.17Å; D1071-N1075 PolarHBondContact O-ND2 2.79Å
1072	A	77.5	Confident	74.2	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-45.2	175.6	0	0	0	0	0	111	G1048 I1049 T1050 N1069 A1074 N1075 R1076	G1048-A1072 WeakPolarHBondContact CA-O 3.2Å; I1049-A1072 WeakPolarHBondContact O-CB 3.43Å; T1050-A1072 HydrophobicContact CG2-CB 4.11Å; N1069-A1072 PolarHBondContact O-N 3.22Å; A1072-A1074 PolarHBondContact O-N 2.72Å; A1072-N1075 PolarHBondContact O-N 3.04Å; A1072-R1076 WeakPolarHBondContact O-CB 3.49Å; A1072-R1076 PolarHBondContact O-N 3.31Å
1073	L	77.1	Confident	75.1	Confident	62 Å²	62	58.8 Å²	58.8	33%	0.325	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-36.2	177.6	-69.6	172.4	0	0	0	112.3	T1050 N1069 A1070 R1077	T1050-L1073 HydrophobicContact CG2-CD2 4.48Å; N1069-L1073 HydrophobicContact CB-CD1 4.24Å; N1069-L1073 HydrophobicContact CB-CG 4.45Å; N1069-L1073 WeakPolarHBondContact O-CB 3.43Å; N1069-L1073 WeakPolarHBondContact O-CG 3.21Å; N1069-L1073 PolarHBondContact O-N 3.12Å; A1070-L1073 PolarHBondContact O-N 3.06Å; L1073-R1077 WeakPolarHBondContact O-CB 2.99Å; L1073-R1077 VanDerWaalsContact O-CG 3.27Å; L1073-R1077 WeakPolarHBondContact O-CG 3.12Å; L1073-R1077 PolarHBondContact O-N 3.46Å
1074	A	80.2	Confident	76.1	Confident	56 Å²	56	58.7 Å²	58.7	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-44.9	176.1	0	0	0	0	0	111.7	A1070 D1071 A1072 R1077 S1078	A1070-A1074 VanDerWaalsContact O-CB 3.27Å; A1070-A1074 WeakPolarHBondContact O-CB 3.45Å; A1070-A1074 PolarHBondContact O-N 3.32Å; D1071-A1074 PolarHBondContact O-N 3.49Å; A1072-A1074 PolarHBondContact O-N 2.72Å; A1074-R1077 PolarHBondContact O-N 3.36Å; A1074-S1078 WeakPolarHBondContact O-CB 3.35Å; A1074-S1078 PolarHBondContact O-N 3.01Å
1075	N	80.2	Confident	77.5	Confident	57 Å²	57	58.3 Å²	58.3	31%	0.305	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-44.1	175.1	-77.4	-41.8	0	0	0	111.5	S1045 D1071 A1072 S1078 R1079	S1045-N1075 PolarHBondContact O-ND2 3.13Å; D1071-N1075 PolarHBondContact O-N 3.17Å; D1071-N1075 PolarHBondContact O-ND2 2.79Å; A1072-N1075 PolarHBondContact O-N 3.04Å; N1075-S1078 PolarHBondContact O-N 2.91Å; N1075-R1079 WeakPolarHBondContact O-CG 3.43Å; N1075-R1079 PolarHBondContact O-N 3.27Å; N1075-R1079 VanDerWaalsContact O-N 3.1Å
1076	R	77.3	Confident	78.7	Confident	26 Å²	26	57.1 Å²	57.1	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-51.3	175.1	-173.2	-177.3	-79.2	-168.6	-19.8	111.4	G1048 A1072 S1078 R1079 T1080 F1102 D1103 D1104	G1048-R1076 PolarHBondContact O-NE 3.37Å; G1048-R1076 PolarHBondContact O-NH2 3.38Å; A1072-R1076 WeakPolarHBondContact O-CB 3.49Å; A1072-R1076 PolarHBondContact O-N 3.31Å; R1076-S1078 VanDerWaalsContact C-N 3.32Å; R1076-S1078 PolarHBondContact O-N 2.87Å; R1076-R1079 WeakPolarHBondContact O-CB 3.45Å; R1076-R1079 PolarHBondContact O-N 2.75Å; R1076-R1079 VanDerWaalsContact O-N 3.13Å; R1076-T1080 PolarHBondContact O-N 3.29Å; R1076-T1080 PolarHBondContact O-OG1 3.49Å; R1076-T1080 VanDerWaalsContact O-OG1 3.08Å; R1076-F1102 HydrophobicContact CG-CB 4.28Å; R1076-F1102 HydrophobicContact CG-CD1 4.01Å; R1076-F1102 HydrophobicContact CG-CD2 3.66Å; R1076-F1102 HydrophobicContact CG-CE1 4.22Å; R1076-F1102 HydrophobicContact CG-CE2 3.9Å; R1076-F1102 HydrophobicContact CG-CG 3.71Å; R1076-F1102 HydrophobicContact CG-CZ 4.17Å; R1076-D1103 PolarHBondContact NH2-O 2.88Å; R1076-D1104 IonicContact CZ-OD1 3.14Å; R1076-D1104 IonicContact NH1-OD1 2.73Å; R1076-D1104 PolarHBondContact NH1-OD1 3.14Å; R1076-D1104 IonicContact NH2-OD1 3.79Å
1077	R	79.2	Confident	79.9	Confident	173 Å²	173	51.9 Å²	51.9	65%	0.653	28%	0.284	S	S	*	.	H	α-helix	trans	-59	-40.9	177.4	-77.1	178.5	177.7	-174	1.8	112.6	L1073 A1074 R1079 T1080 M1081	L1073-R1077 WeakPolarHBondContact O-CB 2.99Å; L1073-R1077 VanDerWaalsContact O-CG 3.27Å; L1073-R1077 WeakPolarHBondContact O-CG 3.12Å; L1073-R1077 PolarHBondContact O-N 3.46Å; A1074-R1077 PolarHBondContact O-N 3.36Å; R1077-R1079 VanDerWaalsContact C-N 3.29Å; R1077-R1079 PolarHBondContact O-N 3.33Å; R1077-T1080 PolarHBondContact O-N 3.03Å; R1077-M1081 WeakPolarHBondContact O-CB 3.17Å; R1077-M1081 VanDerWaalsContact O-CG 3.24Å; R1077-M1081 WeakPolarHBondContact O-CG 3.46Å; R1077-M1081 PolarHBondContact O-N 2.85Å
1078	S	83.9	Confident	81	Confident	27 Å²	27	52.2 Å²	52.2	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-38.8	177.1	-177.7	0	0	0	0	112.3	Y947 A1074 N1075 R1076 A1082	Y947-S1078 PolarHBondContact N-O 2.91Å; Y947-S1078 PolarHBondContact N-OG 2.96Å; A1074-S1078 WeakPolarHBondContact O-CB 3.35Å; A1074-S1078 PolarHBondContact O-N 3.01Å; N1075-S1078 PolarHBondContact O-N 2.91Å; R1076-S1078 VanDerWaalsContact C-N 3.32Å; R1076-S1078 PolarHBondContact O-N 2.87Å; S1078-A1082 PolarHBondContact O-N 3.37Å
1079	R	81	Confident	82.2	Confident	10 Å²	10	51.6 Å²	51.6	4%	0.038	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-48.8	175.8	-65.2	171.7	-178.2	-90.9	2.3	111.6	D945 N946 N952 M1046 N1075 R1076 R1077 M1081 A1082 R1083 F1102	D945-R1079 WeakPolarHBondContact O-CA 3.17Å; D945-R1079 WeakPolarHBondContact O-CB 3.28Å; D945-R1079 WeakPolarHBondContact O-CG 3.29Å; D945-R1079 IonicContact OD1-NH1 3.93Å; D945-R1079 PolarHBondContact OD1-NH1 3.01Å; D945-R1079 IonicContact OD2-CZ 2.83Å; D945-R1079 IonicContact OD2-NH1 2.73Å; D945-R1079 PolarHBondContact OD2-NH1 3.37Å; D945-R1079 IonicContact OD2-NH2 2.71Å; N946-R1079 HydrophobicContact CB-CG 4.48Å; N952-R1079 PolarHBondContact ND2-NH2 2.8Å; M1046-R1079 PolarHBondContact O-NH2 3.24Å; N1075-R1079 WeakPolarHBondContact O-CG 3.43Å; N1075-R1079 PolarHBondContact O-N 3.27Å; N1075-R1079 VanDerWaalsContact O-N 3.1Å; R1076-R1079 WeakPolarHBondContact O-CB 3.45Å; R1076-R1079 PolarHBondContact O-N 2.75Å; R1076-R1079 VanDerWaalsContact O-N 3.13Å; R1077-R1079 VanDerWaalsContact C-N 3.29Å; R1077-R1079 PolarHBondContact O-N 3.33Å; R1079-M1081 PolarHBondContact O-N 3.41Å; R1079-A1082 PolarHBondContact O-N 3.22Å; R1079-R1083 WeakPolarHBondContact O-CG 3.38Å; R1079-R1083 PolarHBondContact O-N 3.44Å; R1079-F1102 HydrophobicContact CB-CE2 3.98Å; R1079-F1102 HydrophobicContact CB-CZ 3.75Å; R1079-F1102 HydrophobicContact CG-CZ 4.4Å
1080	T	79.9	Confident	83	Confident	35 Å²	35	50.7 Å²	50.7	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-45.4	178.6	-47.1	0	0	0	0	111.6	R1076 R1077 A1082 R1083 D1084 F1102	R1076-T1080 PolarHBondContact O-N 3.29Å; R1076-T1080 PolarHBondContact O-OG1 3.49Å; R1076-T1080 VanDerWaalsContact O-OG1 3.08Å; R1077-T1080 PolarHBondContact O-N 3.03Å; T1080-A1082 VanDerWaalsContact C-N 3.35Å; T1080-A1082 PolarHBondContact O-N 3.29Å; T1080-R1083 PolarHBondContact O-N 3.15Å; T1080-R1083 VanDerWaalsContact O-N 3.13Å; T1080-D1084 PolarHBondContact O-N 3.33Å; T1080-F1102 VanDerWaalsContact OG1-CD2 3.32Å; T1080-F1102 WeakPolarHBondContact OG1-CD2 3.21Å; T1080-F1102 VanDerWaalsContact OG1-CE2 3.27Å; T1080-F1102 WeakPolarHBondContact OG1-CE2 3.47Å
1081	M	83.5	Confident	83.8	Confident	112 Å²	112	53.4 Å²	53.4	55%	0.552	26%	0.261	S	S	*	.	H	α-helix	trans	-62.2	-38.7	179.6	-74.6	179.5	177.1	0	0	113.1	Y947 R1077 R1079 R1083 Y1085	Y947-M1081 HydrophobicContact CD2-CB 4.34Å; R1077-M1081 WeakPolarHBondContact O-CB 3.17Å; R1077-M1081 VanDerWaalsContact O-CG 3.24Å; R1077-M1081 WeakPolarHBondContact O-CG 3.46Å; R1077-M1081 PolarHBondContact O-N 2.85Å; R1079-M1081 PolarHBondContact O-N 3.41Å; M1081-R1083 VanDerWaalsContact C-N 3.29Å; M1081-R1083 PolarHBondContact O-N 3.38Å; M1081-Y1085 WeakPolarHBondContact O-CB 3.06Å; M1081-Y1085 PolarHBondContact O-N 2.66Å; M1081-Y1085 VanDerWaalsContact O-N 3.13Å
1082	A	86.3	Confident	84.5	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-36	176.5	0	0	0	0	0	112	W944 S1078 R1079 T1080 A1086	W944-A1082 HydrophobicContact CB-CB 4.33Å; S1078-A1082 PolarHBondContact O-N 3.37Å; R1079-A1082 PolarHBondContact O-N 3.22Å; T1080-A1082 VanDerWaalsContact C-N 3.35Å; T1080-A1082 PolarHBondContact O-N 3.29Å; A1082-A1086 PolarHBondContact O-N 3.08Å
1083	R	85	Confident	85	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.011	28%	0.278	C	S	.	.	H	α-helix	trans	-77.3	-39.9	179.5	-70.4	171	-178.8	171.7	0.7	112.7	D867 D945 R1079 T1080 M1081 Y1085 A1086 T1087 W1100	D867-R1083 IonicContact OD1-NH1 3.88Å; D867-R1083 PolarHBondContact OD1-NH1 3.04Å; D867-R1083 IonicContact OD2-CZ 3.84Å; D867-R1083 IonicContact OD2-NH1 3.49Å; D867-R1083 PolarHBondContact OD2-NH1 3.24Å; D945-R1083 IonicContact OD1-NH2 3.34Å; D945-R1083 PolarHBondContact OD1-NH2 3.1Å; R1079-R1083 WeakPolarHBondContact O-CG 3.38Å; R1079-R1083 PolarHBondContact O-N 3.44Å; T1080-R1083 PolarHBondContact O-N 3.15Å; T1080-R1083 VanDerWaalsContact O-N 3.13Å; M1081-R1083 VanDerWaalsContact C-N 3.29Å; M1081-R1083 PolarHBondContact O-N 3.38Å; R1083-Y1085 VanDerWaalsContact C-N 3.28Å; R1083-Y1085 PolarHBondContact O-N 2.67Å; R1083-A1086 CarbonylContact O-C 3.52Å; R1083-A1086 WeakPolarHBondContact O-CB 2.88Å; R1083-A1086 PolarHBondContact O-N 3.26Å; R1083-A1086 VanDerWaalsContact O-N 3.1Å; R1083-T1087 PolarHBondContact O-N 3.14Å; R1083-T1087 PolarHBondContact O-OG1 2.97Å; R1083-W1100 HydrophobicContact CB-CB 4.29Å; R1083-W1100 HydrophobicContact CB-CD2 3.73Å; R1083-W1100 HydrophobicContact CB-CE3 4.34Å; R1083-W1100 HydrophobicContact CB-CG 3.66Å; R1083-W1100 HydrophobicContact CG-CD2 4.03Å; R1083-W1100 HydrophobicContact CG-CE3 4.14Å; R1083-W1100 HydrophobicContact CG-CG 4.41Å; R1083-W1100 HydrophobicContact CG-CZ3 4.46Å; R1083-W1100 PolarHBondContact O-NE1 2.73Å
1084	D	86	Confident	85.6	Confident	73 Å²	73	55.5 Å²	55.5	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-41.8	172.3	-73	-20.6	0	0	0	111.1	T1080 A1086 T1087 E1088	T1080-D1084 PolarHBondContact O-N 3.33Å; D1084-A1086 VanDerWaalsContact C-N 3.34Å; D1084-A1086 PolarHBondContact O-N 3.04Å; D1084-T1087 WeakPolarHBondContact O-CB 3.33Å; D1084-T1087 PolarHBondContact O-N 3.37Å; D1084-E1088 PolarHBondContact O-N 3.32Å
1085	Y	87.9	Confident	86	Confident	97 Å²	97	56 Å²	56	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-40.1	174.2	-176.5	-108	0	0	0	112.2	M1081 R1083 E1088 Q1089	M1081-Y1085 WeakPolarHBondContact O-CB 3.06Å; M1081-Y1085 PolarHBondContact O-N 2.66Å; M1081-Y1085 VanDerWaalsContact O-N 3.13Å; R1083-Y1085 VanDerWaalsContact C-N 3.28Å; R1083-Y1085 PolarHBondContact O-N 2.67Å; Y1085-E1088 PolarHBondContact O-N 3.21Å; Y1085-Q1089 WeakPolarHBondContact O-CG 3.32Å; Y1085-Q1089 PolarHBondContact O-N 3.48Å; Y1085-Q1089 PolarHBondContact OH-NE2 2.77Å; Y1085-Q1089 VanDerWaalsContact OH-NE2 3.17Å
1086	A	88.3	Confident	86.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-36.6	174.4	0	0	0	0	0	112.2	V941 I943 A1082 R1083 D1084 E1088 Q1089 I1090	V941-A1086 HydrophobicContact CG1-CB 4.26Å; I943-A1086 HydrophobicContact CB-CB 4.3Å; I943-A1086 HydrophobicContact CG1-CB 3.99Å; I943-A1086 HydrophobicContact CG2-CB 4.24Å; A1082-A1086 PolarHBondContact O-N 3.08Å; R1083-A1086 CarbonylContact O-C 3.52Å; R1083-A1086 WeakPolarHBondContact O-CB 2.88Å; R1083-A1086 PolarHBondContact O-N 3.26Å; R1083-A1086 VanDerWaalsContact O-N 3.1Å; D1084-A1086 VanDerWaalsContact C-N 3.34Å; D1084-A1086 PolarHBondContact O-N 3.04Å; A1086-E1088 VanDerWaalsContact C-N 3.34Å; A1086-E1088 PolarHBondContact O-N 3.43Å; A1086-Q1089 PolarHBondContact O-N 2.97Å; A1086-I1090 WeakPolarHBondContact O-CB 3.3Å; A1086-I1090 VanDerWaalsContact O-CG1 3.26Å; A1086-I1090 WeakPolarHBondContact O-CG1 3.48Å; A1086-I1090 PolarHBondContact O-N 3.48Å
1087	T	89.1	Confident	86.8	Confident	15 Å²	15	58.9 Å²	58.9	9%	0.092	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-45	172.8	-79.2	0	0	0	0	111.7	R1083 D1084 Q1089 I1090 R1091 V1098 W1100	R1083-T1087 PolarHBondContact O-N 3.14Å; R1083-T1087 PolarHBondContact O-OG1 2.97Å; D1084-T1087 WeakPolarHBondContact O-CB 3.33Å; D1084-T1087 PolarHBondContact O-N 3.37Å; T1087-Q1089 VanDerWaalsContact C-N 3.32Å; T1087-Q1089 PolarHBondContact O-N 3.08Å; T1087-I1090 PolarHBondContact O-N 3.35Å; T1087-R1091 WeakPolarHBondContact O-CB 3.4Å; T1087-R1091 PolarHBondContact O-N 3.39Å; T1087-V1098 WeakPolarHBondContact CB-O 3.43Å; T1087-V1098 WeakPolarHBondContact CG2-O 3.38Å; T1087-V1098 PolarHBondContact OG1-O 3.39Å; T1087-W1100 VanDerWaalsContact OG1-CD1 3.26Å; T1087-W1100 PolarHBondContact OG1-NE1 2.78Å
1088	E	89.8	Confident	87.1	Confident	96 Å²	96	50.7 Å²	50.7	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-44.1	176.5	-69.8	-177.9	165.9	0	0	111.1	D1084 Y1085 A1086 R1091 D1092	D1084-E1088 PolarHBondContact O-N 3.32Å; Y1085-E1088 PolarHBondContact O-N 3.21Å; A1086-E1088 VanDerWaalsContact C-N 3.34Å; A1086-E1088 PolarHBondContact O-N 3.43Å; E1088-R1091 PolarHBondContact O-N 3.29Å; E1088-D1092 WeakPolarHBondContact O-CB 3.43Å; E1088-D1092 PolarHBondContact O-N 3.38Å
1089	Q	89	Confident	87	Confident	55 Å²	55	57 Å²	57	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-39.4	177.3	-65.6	-174.1	-8.2	0	0	113	V941 Y1085 A1086 T1087 R1091 D1092 I1093	V941-Q1089 HydrophobicContact CB-CB 4.42Å; V941-Q1089 HydrophobicContact CG1-CB 3.75Å; V941-Q1089 HydrophobicContact CG2-CB 3.74Å; Y1085-Q1089 WeakPolarHBondContact O-CG 3.32Å; Y1085-Q1089 PolarHBondContact O-N 3.48Å; Y1085-Q1089 PolarHBondContact OH-NE2 2.77Å; Y1085-Q1089 VanDerWaalsContact OH-NE2 3.17Å; A1086-Q1089 PolarHBondContact O-N 2.97Å; T1087-Q1089 VanDerWaalsContact C-N 3.32Å; T1087-Q1089 PolarHBondContact O-N 3.08Å; Q1089-R1091 VanDerWaalsContact C-N 3.34Å; Q1089-D1092 PolarHBondContact O-N 3.21Å; Q1089-I1093 WeakPolarHBondContact O-CB 3.36Å; Q1089-I1093 WeakPolarHBondContact O-CG1 3.45Å; Q1089-I1093 PolarHBondContact O-N 2.8Å
1090	I	90.4	Very high	87	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-42.6	176.8	-71.3	167	0	0	0	110.2	F893 V941 I943 A1086 T1087 F1094 G1095 I1096 V1098	F893-I1090 HydrophobicContact CD1-CD1 4.19Å; F893-I1090 HydrophobicContact CD1-CG1 3.91Å; F893-I1090 HydrophobicContact CD1-CG2 4.4Å; F893-I1090 HydrophobicContact CE1-CG1 4.34Å; F893-I1090 HydrophobicContact CE1-CG2 4Å; F893-I1090 HydrophobicContact CG-CD1 4.28Å; F893-I1090 HydrophobicContact CG-CG1 4.43Å; V941-I1090 HydrophobicContact CB-CG1 4.01Å; V941-I1090 HydrophobicContact CG1-CG1 3.88Å; V941-I1090 HydrophobicContact CG2-CG1 4.09Å; I943-I1090 HydrophobicContact CD1-CD1 4.17Å; I943-I1090 HydrophobicContact CG1-CD1 4.39Å; A1086-I1090 WeakPolarHBondContact O-CB 3.3Å; A1086-I1090 VanDerWaalsContact O-CG1 3.26Å; A1086-I1090 WeakPolarHBondContact O-CG1 3.48Å; A1086-I1090 PolarHBondContact O-N 3.48Å; T1087-I1090 PolarHBondContact O-N 3.35Å; I1090-F1094 HydrophobicContact CG2-CD2 4.4Å; I1090-F1094 WeakPolarHBondContact O-CA 3.39Å; I1090-F1094 WeakPolarHBondContact O-CB 3.45Å; I1090-F1094 PolarHBondContact O-N 3.32Å; I1090-G1095 PolarHBondContact O-N 2.68Å; I1090-I1096 HydrophobicContact CG2-CB 3.83Å; I1090-I1096 HydrophobicContact CG2-CG2 4.4Å; I1090-V1098 HydrophobicContact CD1-CG2 4.4Å; I1090-V1098 HydrophobicContact CG2-CG2 4.01Å
1091	R	91.8	Very high	86.6	Confident	104 Å²	104	57.9 Å²	57.9	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-45.7	175.2	-179.2	-166.6	64.6	-141.5	-7.6	111.1	T1087 E1088 Q1089 G1095 I1096	T1087-R1091 WeakPolarHBondContact O-CB 3.4Å; T1087-R1091 PolarHBondContact O-N 3.39Å; E1088-R1091 PolarHBondContact O-N 3.29Å; Q1089-R1091 VanDerWaalsContact C-N 3.34Å; R1091-G1095 WeakPolarHBondContact O-CA 3.39Å; R1091-G1095 PolarHBondContact O-N 3.03Å; R1091-I1096 VanDerWaalsContact CA-O 3.24Å; R1091-I1096 WeakPolarHBondContact CA-O 3.29Å; R1091-I1096 PolarHBondContact N-O 2.91Å
1092	D	90.4	Very high	85.7	Confident	117 Å²	117	54.2 Å²	54.2	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-73.2	-32.7	-174	-66.4	-1.1	0	0	0	112.5	E1088 Q1089	E1088-D1092 WeakPolarHBondContact O-CB 3.43Å; E1088-D1092 PolarHBondContact O-N 3.38Å; Q1089-D1092 PolarHBondContact O-N 3.21Å
1093	I	88.5	Confident	84.6	Confident	71 Å²	71	58.1 Å²	58.1	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-90.9	-44.1	-179.4	-64.4	179.8	0	0	0	112.4	G938 V941 Q1089	G938-I1093 VanDerWaalsContact O-CG2 3.31Å; G938-I1093 WeakPolarHBondContact O-CG2 3.5Å; V941-I1093 HydrophobicContact CG2-CB 4.48Å; V941-I1093 HydrophobicContact CG2-CD1 3.76Å; Q1089-I1093 WeakPolarHBondContact O-CB 3.36Å; Q1089-I1093 WeakPolarHBondContact O-CG1 3.45Å; Q1089-I1093 PolarHBondContact O-N 2.8Å
1094	F	89.7	Confident	83	Confident	34 Å²	34	62.3 Å²	62.3	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-111.2	-9.3	-171.2	-57.8	-68.7	0	0	0	114.1	F893 Y902 V941 I1090 I1096	F893-F1094 AromaticContact CD1-CD2 3.69Å; F893-F1094 HydrophobicContact CD1-CD2 3.69Å; F893-F1094 AromaticContact CD1-CE2 3.59Å; F893-F1094 HydrophobicContact CD1-CE2 3.59Å; F893-F1094 HydrophobicContact CD1-CZ 4.44Å; F893-F1094 AromaticContact CE1-CD2 3.57Å; F893-F1094 HydrophobicContact CE1-CD2 3.57Å; F893-F1094 AromaticContact CE1-CE2 3.91Å; F893-F1094 HydrophobicContact CE1-CE2 3.91Å; F893-F1094 HydrophobicContact CE1-CG 4.1Å; Y902-F1094 HydrophobicContact CE1-CB 3.96Å; Y902-F1094 AromaticContact CE1-CD1 3.8Å; Y902-F1094 HydrophobicContact CE1-CD1 3.8Å; Y902-F1094 HydrophobicContact CE1-CG 4.01Å; V941-F1094 HydrophobicContact CB-CE2 4.45Å; V941-F1094 HydrophobicContact CG2-CD2 4.37Å; V941-F1094 HydrophobicContact CG2-CE2 3.85Å; I1090-F1094 HydrophobicContact CG2-CD2 4.4Å; I1090-F1094 WeakPolarHBondContact O-CA 3.39Å; I1090-F1094 WeakPolarHBondContact O-CB 3.45Å; I1090-F1094 PolarHBondContact O-N 3.32Å; F1094-I1096 HydrophobicContact CB-CD1 4Å; F1094-I1096 HydrophobicContact CB-CG1 4.24Å; F1094-I1096 PolarHBondContact O-N 3Å
1095	G	87.6	Confident	81.3	Confident	65 Å²	65	60.7 Å²	60.7	67%	0.67	31%	0.311	S	S	*	.			trans	72.1	14.3	-177.6	0	0	0	0	0	114.6	I1090 R1091	I1090-G1095 PolarHBondContact O-N 2.68Å; R1091-G1095 WeakPolarHBondContact O-CA 3.39Å; R1091-G1095 PolarHBondContact O-N 3.03Å
1096	I	88.1	Confident	79.1	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.128	32%	0.324	C	S	.	.			trans	-97.2	134.1	-179.1	-58.7	163.2	0	0	0	109.6	G871 P873 F893 Y902 I1090 R1091 F1094 V1098	G871-I1096 VanDerWaalsContact O-CG2 3.24Å; G871-I1096 WeakPolarHBondContact O-CG2 3.48Å; P873-I1096 HydrophobicContact CG-CD1 3.68Å; F893-I1096 HydrophobicContact CE1-CD1 4.18Å; F893-I1096 HydrophobicContact CZ-CD1 3.91Å; Y902-I1096 HydrophobicContact CD1-CD1 3.81Å; Y902-I1096 HydrophobicContact CD2-CD1 4.17Å; Y902-I1096 HydrophobicContact CE1-CD1 3.48Å; Y902-I1096 VanDerWaalsContact CE1-CD1 3.48Å; Y902-I1096 HydrophobicContact CE2-CD1 3.88Å; Y902-I1096 HydrophobicContact CG-CD1 4.14Å; I1090-I1096 HydrophobicContact CG2-CB 3.83Å; I1090-I1096 HydrophobicContact CG2-CG2 4.4Å; R1091-I1096 VanDerWaalsContact CA-O 3.24Å; R1091-I1096 WeakPolarHBondContact CA-O 3.29Å; R1091-I1096 PolarHBondContact N-O 2.91Å; F1094-I1096 HydrophobicContact CB-CD1 4Å; F1094-I1096 HydrophobicContact CB-CG1 4.24Å; F1094-I1096 PolarHBondContact O-N 3Å; I1096-V1098 HydrophobicContact CG2-CG2 3.77Å
1097	N	87.4	Confident	76.5	Confident	119 Å²	119	69.5 Å²	69.5	64%	0.636	36%	0.36	S	S	*	.			trans	-102.7	97.3	179.7	-156.2	0.6	0	0	0	110
1098	V	85.6	Confident	73.6	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.006	39%	0.386	C	S	.	.			trans	-98.9	133.8	-178.3	-176	0	0	0	0	109.7	V869 E870 L872 T1087 I1090 I1096 W1100	V869-V1098 HydrophobicContact CG1-CG1 3.33Å; E870-V1098 CarbonylContact O-C 3.57Å; E870-V1098 WeakPolarHBondContact O-CA 3.46Å; L872-V1098 HydrophobicContact CD1-CG1 4.38Å; L872-V1098 HydrophobicContact CD1-CG2 4.38Å; T1087-V1098 WeakPolarHBondContact CB-O 3.43Å; T1087-V1098 WeakPolarHBondContact CG2-O 3.38Å; T1087-V1098 PolarHBondContact OG1-O 3.39Å; I1090-V1098 HydrophobicContact CD1-CG2 4.4Å; I1090-V1098 HydrophobicContact CG2-CG2 4.01Å; I1096-V1098 HydrophobicContact CG2-CG2 3.77Å; V1098-W1100 HydrophobicContact CG1-CZ2 4.12Å
1099	R	81.7	Confident	70.7	Confident	159 Å²	159	75.4 Å²	75.4	60%	0.6	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.8	177	-169.4	173.1	175.2	-158.1	-3.2	110.8	V869 E870 F1101	V869-R1099 CarbonylContact C-O 3.5Å; V869-R1099 WeakPolarHBondContact CA-O 3.12Å; E870-R1099 PolarHBondContact N-O 3.11Å; E870-R1099 PolarHBondContact O-N 3.48Å; R1099-F1101 HydrophobicContact CB-CE1 4.36Å; R1099-F1101 HydrophobicContact CB-CE2 4.13Å; R1099-F1101 HydrophobicContact CB-CZ 3.69Å; R1099-F1101 HydrophobicContact CG-CD1 4.27Å; R1099-F1101 HydrophobicContact CG-CE1 3.54Å; R1099-F1101 HydrophobicContact CG-CE2 4.08Å; R1099-F1101 HydrophobicContact CG-CZ 3.38Å; R1099-F1101 WeakPolarHBondContact O-CE2 3.31Å
1100	W	80.4	Confident	67.9	Low	13 Å²	13	81 Å²	81	5%	0.049	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.6	-178.3	-51.5	85	0	0	0	109.9	D867 V869 L881 L885 I943 R1083 T1087 V1098	D867-W1100 HydrophobicContact CB-CE3 4.26Å; V869-W1100 HydrophobicContact CB-CE3 4.34Å; V869-W1100 HydrophobicContact CB-CZ3 4.41Å; V869-W1100 HydrophobicContact CG1-CD2 4.27Å; V869-W1100 HydrophobicContact CG1-CE3 4.2Å; V869-W1100 HydrophobicContact CG1-CH2 4.34Å; V869-W1100 HydrophobicContact CG1-CZ2 4.41Å; V869-W1100 HydrophobicContact CG1-CZ3 4.24Å; V869-W1100 HydrophobicContact CG2-CD2 4.16Å; V869-W1100 HydrophobicContact CG2-CE3 3.32Å; V869-W1100 HydrophobicContact CG2-CH2 4.09Å; V869-W1100 HydrophobicContact CG2-CZ3 3.28Å; L881-W1100 HydrophobicContact CD2-CH2 3.8Å; L881-W1100 HydrophobicContact CD2-CZ3 4.47Å; L885-W1100 HydrophobicContact CD1-CH2 4.48Å; I943-W1100 HydrophobicContact CD1-CH2 4.32Å; I943-W1100 HydrophobicContact CD1-CZ2 4.24Å; I943-W1100 HydrophobicContact CG2-CH2 4.16Å; I943-W1100 HydrophobicContact CG2-CZ2 4.2Å; R1083-W1100 HydrophobicContact CB-CB 4.29Å; R1083-W1100 HydrophobicContact CB-CD2 3.73Å; R1083-W1100 HydrophobicContact CB-CE3 4.34Å; R1083-W1100 HydrophobicContact CB-CG 3.66Å; R1083-W1100 HydrophobicContact CG-CD2 4.03Å; R1083-W1100 HydrophobicContact CG-CE3 4.14Å; R1083-W1100 HydrophobicContact CG-CG 4.41Å; R1083-W1100 HydrophobicContact CG-CZ3 4.46Å; R1083-W1100 PolarHBondContact O-NE1 2.73Å; T1087-W1100 VanDerWaalsContact OG1-CD1 3.26Å; T1087-W1100 PolarHBondContact OG1-NE1 2.78Å; V1098-W1100 HydrophobicContact CG1-CZ2 4.12Å
1101	F	71.1	Confident	64.9	Low	51 Å²	51	88.7 Å²	88.7	22%	0.224	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.7	177.3	-30.5	-103.2	0	0	0	109.6	D867 M868 E870 R1099	D867-F1101 CarbonylContact C-O 3.59Å; D867-F1101 WeakPolarHBondContact CA-O 3.43Å; D867-F1101 WeakPolarHBondContact CB-O 3.44Å; M868-F1101 HydrophobicContact CB-CD2 4.14Å; M868-F1101 PolarHBondContact N-O 3.01Å; M868-F1101 VanDerWaalsContact O-CD2 3.23Å; M868-F1101 WeakPolarHBondContact O-CD2 3.2Å; M868-F1101 PolarHBondContact O-N 3.02Å; E870-F1101 HydrophobicContact CB-CE2 3.65Å; E870-F1101 HydrophobicContact CB-CZ 3.93Å; E870-F1101 HydrophobicContact CG-CE2 3.47Å; E870-F1101 VanDerWaalsContact CG-CE2 3.47Å; E870-F1101 HydrophobicContact CG-CZ 3.84Å; E870-F1101 VanDerWaalsContact OE2-CZ 3.24Å; E870-F1101 WeakPolarHBondContact OE2-CZ 3.06Å; R1099-F1101 HydrophobicContact CB-CE1 4.36Å; R1099-F1101 HydrophobicContact CB-CE2 4.13Å; R1099-F1101 HydrophobicContact CB-CZ 3.69Å; R1099-F1101 HydrophobicContact CG-CD1 4.27Å; R1099-F1101 HydrophobicContact CG-CE1 3.54Å; R1099-F1101 HydrophobicContact CG-CE2 4.08Å; R1099-F1101 HydrophobicContact CG-CZ 3.38Å; R1099-F1101 WeakPolarHBondContact O-CE2 3.31Å
1102	F	65.4	Low	62	Low	35 Å²	35	89.2 Å²	89.2	15%	0.154	47%	0.473	C	S	.	.			trans	-88.2	136.4	167.9	-86.3	-88.8	0	0	0	109.7	D867 R1076 R1079 T1080	D867-F1102 WeakPolarHBondContact OD1-CD1 3.4Å; D867-F1102 WeakPolarHBondContact OD1-CD2 3.21Å; D867-F1102 WeakPolarHBondContact OD1-CE1 3.47Å; D867-F1102 WeakPolarHBondContact OD1-CE2 3.2Å; D867-F1102 VanDerWaalsContact OD1-CG 3.28Å; D867-F1102 WeakPolarHBondContact OD1-CG 3.14Å; D867-F1102 WeakPolarHBondContact OD1-CZ 3.3Å; D867-F1102 VanDerWaalsContact OD2-CE2 3.29Å; D867-F1102 WeakPolarHBondContact OD2-CE2 3.46Å; R1076-F1102 HydrophobicContact CG-CB 4.28Å; R1076-F1102 HydrophobicContact CG-CD1 4.01Å; R1076-F1102 HydrophobicContact CG-CD2 3.66Å; R1076-F1102 HydrophobicContact CG-CE1 4.22Å; R1076-F1102 HydrophobicContact CG-CE2 3.9Å; R1076-F1102 HydrophobicContact CG-CG 3.71Å; R1076-F1102 HydrophobicContact CG-CZ 4.17Å; R1079-F1102 HydrophobicContact CB-CE2 3.98Å; R1079-F1102 HydrophobicContact CB-CZ 3.75Å; R1079-F1102 HydrophobicContact CG-CZ 4.4Å; T1080-F1102 VanDerWaalsContact OG1-CD2 3.32Å; T1080-F1102 WeakPolarHBondContact OG1-CD2 3.21Å; T1080-F1102 VanDerWaalsContact OG1-CE2 3.27Å; T1080-F1102 WeakPolarHBondContact OG1-CE2 3.47Å
1103	D	62.5	Low	59	Low	87 Å²	87	91.1 Å²	91.1	47%	0.465	48%	0.483	S	S	.	.			trans	-73.6	127.5	167	-166.5	-11.3	0	0	0	109.5	R1076 G1105	R1076-D1103 PolarHBondContact NH2-O 2.88Å; D1103-G1105 VanDerWaalsContact C-N 3.31Å; D1103-G1105 PolarHBondContact OD1-N 3.41Å
1104	D	51.8	Low	56.2	Low	91 Å²	91	90.2 Å²	90.2	49%	0.487	49%	0.492	S	S	.	.			trans	-80.4	-13.7	179.5	-75.2	-25.1	0	0	0	112.3	R1076 D1106	R1076-D1104 IonicContact CZ-OD1 3.14Å; R1076-D1104 IonicContact NH1-OD1 2.73Å; R1076-D1104 PolarHBondContact NH1-OD1 3.14Å; R1076-D1104 IonicContact NH2-OD1 3.79Å; D1104-D1106 PolarHBondContact O-N 3.39Å; D1104-D1106 VanDerWaalsContact O-N 3.1Å
1105	G	50	Low	53.4	Low	39 Å²	39	97 Å²	97	40%	0.402	52%	0.524	S	S	.	.			trans	65.5	7.5	-179.8	0	0	0	0	0	114.3	D1103 E1107	D1103-G1105 VanDerWaalsContact C-N 3.31Å; D1103-G1105 PolarHBondContact OD1-N 3.41Å; G1105-E1107 PolarHBondContact O-N 3.1Å
1106	D	42.9	Very low	50.8	Low	122 Å²	122	101 Å²	101	65%	0.652	53%	0.529	S	S	*	.			trans	-79.2	1.4	-176.8	-88.3	-28.3	0	0	0	113.8	D1104 P1108	D1104-D1106 PolarHBondContact O-N 3.39Å; D1104-D1106 VanDerWaalsContact O-N 3.1Å; D1106-P1108 WeakPolarHBondContact O-CD 3.33Å
1107	E	32.3	Very low	48.4	Very low	160 Å²	160	105.8 Å²	105.8	75%	0.748	56%	0.556	S	S	*	*			trans	-116.8	79.3	167.1	-73.7	-168	174.7	0	0	112	G1105 N1109	G1105-E1107 PolarHBondContact O-N 3.1Å; E1107-N1109 PolarHBondContact O-N 3.33Å
1108	P	29.8	Very low	45.9	Very low	99 Å²	99	103.7 Å²	103.7	64%	0.643	55%	0.554	S	S	*	*			trans	-72.5	126.3	158.2	31.9	-27.4	0	0	0	106.8	D1106	D1106-P1108 WeakPolarHBondContact O-CD 3.33Å
1109	N	27.9	Very low	43.2	Very low	136 Å²	136	111.8 Å²	111.8	73%	0.727	59%	0.59	S	S	*	*			trans	96.9	57.4	173	-42.1	-24.9	0	0	0	117.3	E1107 E1111	E1107-N1109 PolarHBondContact O-N 3.33Å; N1109-E1111 PolarHBondContact O-N 2.88Å
1110	K	30.7	Very low	41.1	Very low	174 Å²	174	109 Å²	109	76%	0.757	58%	0.584	S	S	*	*				-79.3	91.1	126.9	-89.7	180	-177.6	163.3	0	107.3	V1112	K1110-V1112 PolarHBondContact O-N 2.86Å
1111	E	26.6	Very low	38.9	Very low	160 Å²	160	112.4 Å²	112.4	75%	0.748	60%	0.603	S	S	*	*			trans	-54.6	94.4	155	-72.4	178.5	162.6	0	0	106.3	N1109 D1113	N1109-E1111 PolarHBondContact O-N 2.88Å; E1111-D1113 PolarHBondContact O-N 3.23Å; E1111-D1113 VanDerWaalsContact O-N 3.15Å
1112	V	30.6	Very low	37.1	Very low	116 Å²	116	115.6 Å²	115.6	70%	0.703	62%	0.622	S	S	*	*			trans	-77.8	92.9	162	-179.8	0	0	0	0	104.3	K1110 G1114	K1110-V1112 PolarHBondContact O-N 2.86Å; V1112-G1114 VanDerWaalsContact C-N 3.26Å; V1112-G1114 PolarHBondContact O-N 2.58Å
1113	D	28.5	Very low	35.6	Very low	157 Å²	157	120.4 Å²	120.4	84%	0.84	64%	0.643	S	S	*	*			trans	-54.9	95.2	161.6	-76.7	-33	0	0	0	107.7	E1111	E1111-D1113 PolarHBondContact O-N 3.23Å; E1111-D1113 VanDerWaalsContact O-N 3.15Å
1114	G	30.6	Very low	34.2	Very low	52 Å²	52	121.9 Å²	121.9	54%	0.536	65%	0.651	S	S	.	*			trans	165.1	73.9	-171.1	0	0	0	0	0	110.2	V1112	V1112-G1114 VanDerWaalsContact C-N 3.26Å; V1112-G1114 PolarHBondContact O-N 2.58Å
1115	E	28.9	Very low	33.4	Very low	176 Å²	176	125 Å²	125	82%	0.822	66%	0.66	S	S	*	*			trans	-42	137.2	172.2	-68.2	170.3	141.4	0	0	112.3	D1117	E1115-D1117 PolarHBondContact O-N 3.49Å
1116	D	34	Very low	32.6	Very low	148 Å²	148	124.8 Å²	124.8	79%	0.791	65%	0.652	S	S	*	*	S	Bend	trans	66.7	-11.7	156.1	-63.7	-22.6	0	0	0	122
1117	D	37.2	Very low	32	Very low	127 Å²	127	121.8 Å²	121.8	68%	0.679	64%	0.636	S	S	*	*	S	Bend	trans	-90.8	-25.9	-173.3	-77.7	-22.3	0	0	0	115.8	E1115 F1119 Q1120 D1121	E1115-D1117 PolarHBondContact O-N 3.49Å; D1117-F1119 PolarHBondContact O-N 3.27Å; D1117-Q1120 PolarHBondContact O-N 2.87Å; D1117-D1121 WeakPolarHBondContact O-CB 3.5Å; D1117-D1121 PolarHBondContact O-N 3.12Å
1118	A	35	Very low	31.9	Very low	74 Å²	74	117.3 Å²	117.3	61%	0.612	63%	0.626	S	S	*	*	H	α-helix	trans	-72.3	-31.3	-172.6	0	0	0	0	0	114.4
1119	F	29	Very low	31.9	Very low	171 Å²	171	116.2 Å²	116.2	75%	0.75	62%	0.621	S	S	*	*	H	α-helix	trans	-79.7	-22.7	175.7	-101.9	-84.5	0	0	0	113	D1117 K1123	D1117-F1119 PolarHBondContact O-N 3.27Å; F1119-K1123 PolarHBondContact O-N 3.09Å
1120	Q	38.4	Very low	32	Very low	101 Å²	101	112.7 Å²	112.7	47%	0.472	61%	0.606	S	S	.	*	H	α-helix	trans	-81.7	-38	177.1	-135.4	70.1	-15.1	0	0	110.9	D1117 L1122 K1123 D1124	D1117-Q1120 PolarHBondContact O-N 2.87Å; Q1120-L1122 VanDerWaalsContact C-N 3.26Å; Q1120-L1122 PolarHBondContact O-N 3.41Å; Q1120-K1123 WeakPolarHBondContact O-CB 3.22Å; Q1120-K1123 PolarHBondContact O-N 3.14Å; Q1120-D1124 PolarHBondContact O-N 2.93Å; Q1120-D1124 VanDerWaalsContact O-N 3.12Å
1121	D	32.8	Very low	31.9	Very low	85 Å²	85	108.6 Å²	108.6	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-68.5	-24.7	177.5	-131.3	33.9	0	0	0	113	D1117 K1125	D1117-D1121 WeakPolarHBondContact O-CB 3.5Å; D1117-D1121 PolarHBondContact O-N 3.12Å; D1121-K1125 PolarHBondContact O-N 3.12Å; D1121-K1125 IonicContact OD1-NZ 2.78Å; D1121-K1125 IonicContact OD2-NZ 2.73Å; D1121-K1125 PolarHBondContact OD2-NZ 2.95Å
1122	L	33.5	Very low	32.2	Very low	117 Å²	117	107.3 Å²	107.3	61%	0.613	59%	0.588	S	S	*	*	H	α-helix	trans	-78.6	-28.1	170.6	-88.9	158.4	0	0	0	113.2	Q1120 S1126	Q1120-L1122 VanDerWaalsContact C-N 3.26Å; Q1120-L1122 PolarHBondContact O-N 3.41Å; L1122-S1126 PolarHBondContact O-OG 3.04Å
1123	K	33.8	Very low	32.3	Very low	137 Å²	137	110.7 Å²	110.7	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-73.2	-30.6	172.7	-85.2	177.5	177.3	169.8	0	112.5	F1119 Q1120	F1119-K1123 PolarHBondContact O-N 3.09Å; Q1120-K1123 WeakPolarHBondContact O-CB 3.22Å; Q1120-K1123 PolarHBondContact O-N 3.14Å
1124	D	34.2	Very low	32.5	Very low	118 Å²	118	111 Å²	111	63%	0.631	58%	0.582	S	S	*	*	H	α-helix	trans	-89.9	-15.1	-174.5	-72.9	-15.5	0	0	0	114	Q1120	Q1120-D1124 PolarHBondContact O-N 2.93Å; Q1120-D1124 VanDerWaalsContact O-N 3.12Å
1125	K	35.2	Very low	32.3	Very low	157 Å²	157	117.2 Å²	117.2	68%	0.683	60%	0.595	S	S	*	*	H	α-helix	trans	-104.4	-7.9	-177.2	-72.2	171.7	-178	158.2	0	115.7	D1121	D1121-K1125 PolarHBondContact O-N 3.12Å; D1121-K1125 IonicContact OD1-NZ 2.78Å; D1121-K1125 IonicContact OD2-NZ 2.73Å; D1121-K1125 PolarHBondContact OD2-NZ 2.95Å
1126	S	31.8	Very low	32.5	Very low	33 Å²	33	114.3 Å²	114.3	23%	0.231	58%	0.584	C	S	.	*	S	Bend	trans	-114.6	121.5	177.9	73.8	0	0	0	0	112.9	L1122 A1128	L1122-S1126 PolarHBondContact O-OG 3.04Å; S1126-A1128 PolarHBondContact O-N 3.45Å
1127	L	31.3	Very low	32.4	Very low	60 Å²	60	112.5 Å²	112.5	31%	0.314	57%	0.573	S	S	.	*	S	Bend	trans	67.1	-24.6	161.6	-75.2	142.9	0	0	0	121.7	D877 M1131	D877-L1127 WeakPolarHBondContact OD2-CD1 3.38Å; D877-L1127 WeakPolarHBondContact OD2-CG 2.99Å; L1127-M1131 HydrophobicContact CD2-CE 3.27Å
1128	A	29.6	Very low	32.1	Very low	65 Å²	65	111.7 Å²	111.7	54%	0.537	57%	0.567	S	S	.	*	H	α-helix	trans	-79.3	-31.6	-175.6	0	0	0	0	0	114.4	S1126 I1132	S1126-A1128 PolarHBondContact O-N 3.45Å; A1128-I1132 WeakPolarHBondContact O-CB 3.47Å; A1128-I1132 WeakPolarHBondContact O-CD1 3.34Å; A1128-I1132 WeakPolarHBondContact O-CG1 3.3Å
1129	S	30.5	Very low	31.9	Very low	77 Å²	77	113.9 Å²	113.9	54%	0.538	56%	0.564	S	S	.	*	H	α-helix	trans	-98.2	-20.8	-171.5	59.7	0	0	0	0	114.9
1130	S	28.9	Very low	32.1	Very low	61 Å²	61	110.3 Å²	110.3	43%	0.427	55%	0.553	S	S	.	*	H	α-helix	trans	-87.7	-34.6	176.5	64.1	0	0	0	0	112.6	K1133 R1134	S1130-K1133 PolarHBondContact O-N 2.73Å; S1130-R1134 WeakPolarHBondContact O-CB 3.08Å; S1130-R1134 VanDerWaalsContact O-CG 3.3Å; S1130-R1134 WeakPolarHBondContact O-CG 3.15Å; S1130-R1134 PolarHBondContact O-N 3.02Å; S1130-R1134 VanDerWaalsContact O-N 3.12Å
1131	M	29.6	Very low	31.7	Very low	89 Å²	89	110.9 Å²	110.9	44%	0.438	56%	0.558	S	S	.	*	H	α-helix	trans	-69.9	-39.7	171.6	-78.2	-152	-135.7	0	0	111.8	L1127 K1133 R1134 F1135	L1127-M1131 HydrophobicContact CD2-CE 3.27Å; M1131-K1133 PolarHBondContact O-N 2.79Å; M1131-R1134 PolarHBondContact O-N 2.84Å; M1131-R1134 VanDerWaalsContact O-N 3.12Å; M1131-F1135 HydrophobicContact CB-CD2 4.26Å; M1131-F1135 HydrophobicContact CB-CE2 4.34Å; M1131-F1135 WeakPolarHBondContact O-CD2 3.06Å; M1131-F1135 PolarHBondContact O-N 2.82Å; M1131-F1135 HydrophobicContact SD-CE2 4.14Å
1132	I	33.6	Very low	31.6	Very low	132 Å²	132	112.8 Å²	112.8	68%	0.677	57%	0.565	S	S	*	*	H	α-helix	trans	-71	-14.8	178.3	-65.4	176.8	0	0	0	113	A1128	A1128-I1132 WeakPolarHBondContact O-CB 3.47Å; A1128-I1132 WeakPolarHBondContact O-CD1 3.34Å; A1128-I1132 WeakPolarHBondContact O-CG1 3.3Å
1133	K	31.1	Very low	31.5	Very low	187 Å²	187	112.5 Å²	112.5	81%	0.813	56%	0.562	S	S	*	*	H	α-helix	trans	-97.8	-11.8	170.4	-81.3	-178.2	176	176.3	0	113.9	S1130 M1131	S1130-K1133 PolarHBondContact O-N 2.73Å; M1131-K1133 PolarHBondContact O-N 2.79Å
1134	R	32.7	Very low	31.3	Very low	163 Å²	163	110.4 Å²	110.4	62%	0.615	56%	0.559	S	S	*	*	H	α-helix	trans	-102.4	-22	178	-76.7	-177.3	-177.6	-171.8	3.1	113.1	E901 S1130 M1131	E901-R1134 IonicContact OE1-CZ 3.09Å; E901-R1134 IonicContact OE1-NH1 2.64Å; E901-R1134 IonicContact OE1-NH2 3.59Å; E901-R1134 PolarHBondContact OE1-NH2 3.43Å; E901-R1134 IonicContact OE2-CZ 2.73Å; E901-R1134 IonicContact OE2-NH1 3.18Å; E901-R1134 PolarHBondContact OE2-NH1 3.36Å; E901-R1134 IonicContact OE2-NH2 3.58Å; E901-R1134 PolarHBondContact OE2-NH2 3.29Å; S1130-R1134 WeakPolarHBondContact O-CB 3.08Å; S1130-R1134 VanDerWaalsContact O-CG 3.3Å; S1130-R1134 WeakPolarHBondContact O-CG 3.15Å; S1130-R1134 PolarHBondContact O-N 3.02Å; S1130-R1134 VanDerWaalsContact O-N 3.12Å; M1131-R1134 PolarHBondContact O-N 2.84Å; M1131-R1134 VanDerWaalsContact O-N 3.12Å
1135	F	27.1	Very low	31	Very low	183 Å²	183	109.7 Å²	109.7	80%	0.803	55%	0.552	S	S	*	*			trans	-82.4	0	156.4	-73.5	-72.9	0	0	0	109.9	T929 M1131	T929-F1135 HydrophobicContact CG2-CE1 4.47Å; T929-F1135 HydrophobicContact CG2-CZ 4.08Å; M1131-F1135 HydrophobicContact CB-CD2 4.26Å; M1131-F1135 HydrophobicContact CB-CE2 4.34Å; M1131-F1135 WeakPolarHBondContact O-CD2 3.06Å; M1131-F1135 PolarHBondContact O-N 2.82Å; M1131-F1135 HydrophobicContact SD-CE2 4.14Å

Retrieved 1,135 of 1,135 residues in 860.6 ms (Link to these results)

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