A0A077Z8E4_TRITR Loading...

Malate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z8E4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,186 aa.

						>A0A077Z8E4_TRITR|A0A077Z8E4
MSKNAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVALNPHNTVFDAKRLIGRRYDDSAVQSDMKHWPFKVISDGGKPKIQVEYKGETKMFTPEEVSAMVLVKMKETAEAYLGKTVKDAVITVPAYFNDSQRQATKDAGTISGLNVLRIINEPTAAAIAYGLDKKGTGERNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVTHFVAEFKRKNKKDMSGNPRALRRLRTACERAKRTLSSSTQASIEIDSLYEGIDYYTTITRARFEELCADLFRSTLDPVEKSLRDAKLDKSQVHDVVLVGGSTRIPKVQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKHEAVQDLLLLDVTPLSLGIETAGGVMTALIKRNTTIPTKVSQVFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGRQNKITITNDKGRLSKEDIDRMVREADSYRAEDEKQRDRIQSKNSLESYAFNMKSTVEDEKLKEKLSESDRKQITEKCEEIIKWLDANQLAEKEEFEHKQKELESVCNPIITRMYQGEGGGMPGGMPGGMPNFAGAGGPQGGSRPGAGGGPTIEESGAKVAVLGASGGIGQPMSLLLKVCPLIRHLSLYDLVKTVGVGADLSHISTPAKVSAHNGPENLGSALEGADVILIPAGIPRKPGMTRDDLFNVNASIVRDLVEGVAQHAPNAIVCIISNPVNSTVPIAAQVLKKKGVYDPRRLFGVTTLDLVRASTFIADLKSLDVRAVSCPVVGGHSGVTIVPVFSNCKPSLVFEPEEAKKLTERVQNAGTEVVKAKEGSGSATLSMAYAGMRFAHSVSASPFIVSLLEALNGKEGIIECALVESDIISGVPFMATPVMLGKNGLEKNCGLPQLNTFEQGLLETALPELKKNIERGLKESMHGMSSFQRVQQWLTYTRQWHLLDAKWQDPALLAKKIAVVLRGMNKPIFHHQADCGDHVIVYNCRHIALRGFDWKRLSYYFDNRYSRGKASIPAFEIHDVDPCRIMFLEVYSALGGVFNLSTRRRNIERLHLLADDVIPEHLLKNVCNQLEQVMPVPKRYDEYTAEERRKIPALFDWLENGCHCKSIKISAIYFRPKEFTVTEREEENKPKPQN
					

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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	40.8	Very low	81.5	Confident	204 Å²	204	46.6 Å²	46.6	100%	1.005	24%	0.239	S	C	*	.				0	139.7	0	-69.1	176.9	-171	0	0	107.8	K3	M1-K3 PolarHBondContact O-N 3.37Å
2	S	46.9	Very low	82.1	Confident	49 Å²	49	43.4 Å²	43.4	34%	0.343	22%	0.223	S	C	.	.			trans	-67.6	122.7	-174.1	128.1	0	0	0	0	108.9	N4 D140	S2-N4 PolarHBondContact O-N 3.31Å; S2-N4 VanDerWaalsContact O-N 3.11Å; S2-N4 PolarHBondContact OG-N 3.05Å; S2-D140 PolarHBondContact OG-OD2 2.75Å; S2-D140 VanDerWaalsContact OG-OD2 3.08Å
3	K	60.4	Low	82.7	Confident	187 Å²	187	41.5 Å²	41.5	81%	0.813	22%	0.215	S	C	*	.	S	Bend	trans	-74.8	15.8	175.8	-76.5	-170.4	173.7	-172.5	0	112.7	M1	M1-K3 PolarHBondContact O-N 3.37Å
4	N	78.9	Confident	83.5	Confident	26 Å²	26	42.6 Å²	42.6	14%	0.139	22%	0.215	C	C	.	.			trans	-122	25.9	-163.1	-58.2	-3.6	0	0	0	112.8	S2 T137	S2-N4 PolarHBondContact O-N 3.31Å; S2-N4 VanDerWaalsContact O-N 3.11Å; S2-N4 PolarHBondContact OG-N 3.05Å; N4-T137 PolarHBondContact ND2-O 3.37Å
5	A	92.9	Very high	84.4	Confident	7 Å²	7	39.8 Å²	39.8	6%	0.058	20%	0.201	C	C	.	.			trans	-76.2	142.1	175.1	0	0	0	0	0	111.3	D140 L169 A376 S380	A5-D140 VanDerWaalsContact CA-O 3.28Å; A5-D140 WeakPolarHBondContact CA-O 3.43Å; A5-D140 HydrophobicContact CB-CB 3.87Å; A5-L169 HydrophobicContact CB-CD1 4.06Å; A5-A376 HydrophobicContact CB-CB 3.94Å; A5-S380 WeakPolarHBondContact CB-OG 3.44Å
6	V	97.2	Very high	85.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.8	-178.1	-62.4	0	0	0	0	111.3	I8 V17 G18 V19 A130 V138 D140 A141 V142 A376	V6-I8 HydrophobicContact CG2-CD1 4.11Å; V6-I8 HydrophobicContact CG2-CG1 4.05Å; V6-V17 HydrophobicContact CB-CG2 4.06Å; V6-V17 HydrophobicContact CG2-CG2 4.28Å; V6-G18 WeakPolarHBondContact CA-O 3.45Å; V6-G18 WeakPolarHBondContact CB-O 3.48Å; V6-V19 HydrophobicContact CG1-CB 4.28Å; V6-V19 HydrophobicContact CG1-CG2 4.29Å; V6-A130 HydrophobicContact CG1-CB 3.96Å; V6-V138 HydrophobicContact CB-CG1 4.45Å; V6-V138 HydrophobicContact CG1-CG1 3.93Å; V6-V138 HydrophobicContact CG1-CG2 4.38Å; V6-V138 HydrophobicContact CG2-CG1 3.68Å; V6-D140 PolarHBondContact N-O 2.96Å; V6-D140 VanDerWaalsContact N-O 3.15Å; V6-A141 HydrophobicContact CG2-CB 3.97Å; V6-A141 CarbonylContact O-C 3.56Å; V6-A141 VanDerWaalsContact O-CA 3.27Å; V6-A141 WeakPolarHBondContact O-CA 2.85Å; V6-V142 PolarHBondContact O-N 3.41Å; V6-A376 WeakPolarHBondContact O-CB 3.32Å
7	G	97.8	Very high	86	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129	167.3	0	0	0	0	0	110	V17 G18 A372	G7-V17 CarbonylContact O-C 3.48Å; G7-V17 WeakPolarHBondContact O-CA 3.45Å; G7-G18 PolarHBondContact N-O 3.41Å; G7-G18 PolarHBondContact O-N 3.38Å; G7-A372 VanDerWaalsContact CA-C 3.49Å
8	I	98.2	Very high	86.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.5	179.6	-57.8	172.7	0	0	0	109	V6 C16 V17 L123 M126 A141 V142 I143 T144 L166	V6-I8 HydrophobicContact CG2-CD1 4.11Å; V6-I8 HydrophobicContact CG2-CG1 4.05Å; I8-C16 CarbonylContact C-O 3.54Å; I8-C16 WeakPolarHBondContact CA-O 3.29Å; I8-V17 HydrophobicContact CG1-CB 4.35Å; I8-V17 HydrophobicContact CG1-CG2 3.94Å; I8-L123 HydrophobicContact CD1-CD2 4.25Å; I8-L123 HydrophobicContact CG2-CD2 3.81Å; I8-M126 HydrophobicContact CD1-CB 4.14Å; I8-M126 HydrophobicContact CG1-CB 4.47Å; I8-M126 HydrophobicContact CG2-CB 4.2Å; I8-M126 HydrophobicContact CG2-CG 4.02Å; I8-A141 HydrophobicContact CD1-CB 4.08Å; I8-V142 PolarHBondContact N-O 3.13Å; I8-I143 WeakPolarHBondContact O-CA 3.48Å; I8-T144 PolarHBondContact O-N 2.9Å; I8-L166 HydrophobicContact CD1-CD1 3.77Å
9	D	97.1	Very high	87	Confident	22 Å²	22	31.7 Å²	31.7	12%	0.118	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	106.2	160.9	-178.5	28.1	0	0	0	109.7	G11 S15 C16 T144 V368 A369	D9-G11 PolarHBondContact O-N 2.8Å; D9-S15 CarbonylContact O-C 3.54Å; D9-S15 WeakPolarHBondContact O-CA 2.93Å; D9-S15 VanDerWaalsContact O-CB 3.27Å; D9-S15 WeakPolarHBondContact O-CB 3.24Å; D9-C16 HydrophobicContact CB-CB 4.25Å; D9-C16 PolarHBondContact N-O 3.37Å; D9-C16 PolarHBondContact O-N 3.25Å; D9-T144 VanDerWaalsContact CA-OG1 3.31Å; D9-T144 WeakPolarHBondContact CA-OG1 3.45Å; D9-T144 PolarHBondContact OD1-OG1 3.26Å; D9-V368 HydrophobicContact CB-CB 4.2Å; D9-V368 HydrophobicContact CB-CG1 3.84Å; D9-V368 WeakPolarHBondContact OD1-CG1 3.38Å; D9-A369 HydrophobicContact CB-CB 3.87Å
10	L	95.2	Very high	87.3	Confident	7 Å²	7	30.8 Å²	30.8	4%	0.037	16%	0.156	C	C	.	.			trans	-89.8	81.6	175.9	-179.6	65.4	0	0	0	108.4	K70 V122 L123 I143 T157	L10-K70 WeakPolarHBondContact O-CD 3.46Å; L10-K70 WeakPolarHBondContact O-CE 3.31Å; L10-K70 PolarHBondContact O-NZ 2.92Å; L10-V122 HydrophobicContact CD1-CB 4.27Å; L10-V122 HydrophobicContact CD1-CG1 4.01Å; L10-L123 HydrophobicContact CB-CD2 4.38Å; L10-L123 HydrophobicContact CD1-CD2 4.02Å; L10-L123 HydrophobicContact CD1-CG 4.16Å; L10-L123 HydrophobicContact CD2-CD1 4.36Å; L10-L123 HydrophobicContact CD2-CD2 4.33Å; L10-L123 HydrophobicContact CD2-CG 4.38Å; L10-L123 HydrophobicContact CG-CD2 4.48Å; L10-I143 HydrophobicContact CB-CG2 4.12Å; L10-T157 HydrophobicContact CD2-CG2 4.18Å
11	G	91.2	Very high	87.3	Confident	11 Å²	11	31.5 Å²	31.5	11%	0.113	16%	0.158	C	C	.	.			trans	-86	161.3	-175.4	0	0	0	0	0	113.9	D9 Y14 S15 S39	D9-G11 PolarHBondContact O-N 2.8Å; G11-Y14 CarbonylContact C-O 3.56Å; G11-Y14 WeakPolarHBondContact CA-O 3.29Å; G11-Y14 PolarHBondContact N-O 3.49Å; G11-S15 PolarHBondContact N-OG 2.75Å; G11-S39 WeakPolarHBondContact O-CB 3.47Å; G11-S39 PolarHBondContact O-OG 3.41Å
12	T	88.1	Confident	89.3	Confident	8 Å²	8	30 Å²	30	5%	0.049	15%	0.149	C	C	.	.	S	Bend	trans	-62.5	-48.9	-179.6	-52.6	0	0	0	0	112	S39 D68 R71	T12-S39 WeakPolarHBondContact O-CB 3.28Å; T12-D68 HydrophobicContact CG2-CB 3.99Å; T12-R71 HydrophobicContact CG2-CG 4.05Å
13	T	89.9	Confident	90.9	Very high	19 Å²	19	28.7 Å²	28.7	12%	0.117	14%	0.142	C	C	.	.	S	Bend	trans	-98.6	-36.2	-177.1	-41.3	0	0	0	0	112.3	P38 S39 G201 E230	T13-P38 WeakPolarHBondContact O-CA 3.46Å; T13-S39 PolarHBondContact O-N 3.3Å; T13-G201 WeakPolarHBondContact OG1-CA 3.33Å; T13-E230 PolarHBondContact OG1-OE1 3.39Å
14	Y	94.2	Very high	92.3	Very high	56 Å²	56	25 Å²	25	22%	0.22	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144	-178.8	-70.1	-89.6	0	0	0	109.9	G11 T37 P38 K55 R271	G11-Y14 CarbonylContact C-O 3.56Å; G11-Y14 WeakPolarHBondContact CA-O 3.29Å; G11-Y14 PolarHBondContact N-O 3.49Å; Y14-T37 CarbonylContact C-O 3.5Å; Y14-T37 VanDerWaalsContact CA-O 3.29Å; Y14-T37 WeakPolarHBondContact CA-O 3.37Å; Y14-P38 HydrophobicContact CD1-CB 4.39Å; Y14-P38 HydrophobicContact CD1-CG 4.15Å; Y14-P38 HydrophobicContact CE1-CB 4.27Å; Y14-P38 HydrophobicContact CE1-CG 3.76Å; Y14-K55 PolarHBondContact OH-NZ 3.42Å; Y14-R271 VanDerWaalsContact CE2-NH2 3.31Å; Y14-R271 PolarHBondContact OH-NH1 3.07Å; Y14-R271 PolarHBondContact OH-NH2 3.19Å
15	S	97.2	Very high	92.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	152.8	172.3	-59.1	0	0	0	0	110.3	D9 G11 T36 T37 S39 V122	D9-S15 CarbonylContact O-C 3.54Å; D9-S15 WeakPolarHBondContact O-CA 2.93Å; D9-S15 VanDerWaalsContact O-CB 3.27Å; D9-S15 WeakPolarHBondContact O-CB 3.24Å; G11-S15 PolarHBondContact N-OG 2.75Å; S15-T36 WeakPolarHBondContact O-CA 3.44Å; S15-T37 PolarHBondContact N-O 3.27Å; S15-T37 PolarHBondContact O-N 2.86Å; S15-S39 PolarHBondContact N-OG 3.44Å; S15-S39 PolarHBondContact OG-OG 3.02Å; S15-V122 WeakPolarHBondContact OG-CG1 3.4Å
16	C	97.2	Very high	93	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.2	-178	-174.1	0	0	0	0	110.2	I8 D9 I27 R35 T36 A369	I8-C16 CarbonylContact C-O 3.54Å; I8-C16 WeakPolarHBondContact CA-O 3.29Å; D9-C16 HydrophobicContact CB-CB 4.25Å; D9-C16 PolarHBondContact N-O 3.37Å; D9-C16 PolarHBondContact O-N 3.25Å; C16-I27 VanDerWaalsContact SG-CG2 3.57Å; C16-R35 PolarHBondContact SG-O 3.15Å; C16-T36 HydrophobicContact CB-CG2 4.28Å; C16-A369 HydrophobicContact CB-CB 3.76Å; C16-A369 VanDerWaalsContact SG-CB 3.6Å
17	V	98.1	Very high	92.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.4	179.3	58.4	0	0	0	0	110.8	V6 G7 I8 I28 M126 T129 A130	V6-V17 HydrophobicContact CB-CG2 4.06Å; V6-V17 HydrophobicContact CG2-CG2 4.28Å; G7-V17 CarbonylContact O-C 3.48Å; G7-V17 WeakPolarHBondContact O-CA 3.45Å; I8-V17 HydrophobicContact CG1-CB 4.35Å; I8-V17 HydrophobicContact CG1-CG2 3.94Å; V17-I28 HydrophobicContact CG1-CB 4.26Å; V17-I28 PolarHBondContact O-N 3.27Å; V17-M126 HydrophobicContact CB-CB 4.31Å; V17-M126 HydrophobicContact CB-SD 4.32Å; V17-M126 HydrophobicContact CG1-SD 4.15Å; V17-T129 HydrophobicContact CG1-CG2 4.16Å; V17-A130 HydrophobicContact CG2-CB 4.15Å
18	G	96.9	Very high	92.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.8	178.3	0	0	0	0	0	112.3	V6 G7 E26	V6-G18 WeakPolarHBondContact CA-O 3.45Å; V6-G18 WeakPolarHBondContact CB-O 3.48Å; G7-G18 PolarHBondContact N-O 3.41Å; G7-G18 PolarHBondContact O-N 3.38Å; G18-E26 CarbonylContact C-O 3.59Å; G18-E26 VanDerWaalsContact CA-O 3.27Å; G18-E26 WeakPolarHBondContact CA-O 3.32Å
19	V	95.7	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.4	176	66.8	0	0	0	0	109.9	V6 Q21 V25 E26 I28 Y133 L134	V6-V19 HydrophobicContact CG1-CB 4.28Å; V6-V19 HydrophobicContact CG1-CG2 4.29Å; V19-Q21 HydrophobicContact CG1-CG 4.18Å; V19-Q21 HydrophobicContact CG2-CG 3.98Å; V19-V25 WeakPolarHBondContact O-CA 3.46Å; V19-E26 HydrophobicContact CG1-CB 4.3Å; V19-E26 PolarHBondContact N-O 2.9Å; V19-E26 PolarHBondContact O-N 3.43Å; V19-I28 HydrophobicContact CB-CD1 4.22Å; V19-I28 HydrophobicContact CG1-CD1 3.9Å; V19-I28 HydrophobicContact CG1-CG1 4.2Å; V19-Y133 HydrophobicContact CG1-CD1 4.42Å; V19-Y133 HydrophobicContact CG1-CE1 4.05Å; V19-L134 HydrophobicContact CG1-CD2 4.37Å; V19-L134 HydrophobicContact CG2-CD1 4.37Å; V19-L134 HydrophobicContact CG2-CD2 4.36Å
20	F	93	Very high	92.4	Very high	14 Å²	14	29.2 Å²	29.2	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117	172.3	-171.5	-92.8	0	0	0	109.9	G23 K24 V25 A377 H384 A386 V387	F20-G23 VanDerWaalsContact CZ-C 3.41Å; F20-K24 CarbonylContact C-O 3.48Å; F20-K24 WeakPolarHBondContact CA-O 3.47Å; F20-V25 HydrophobicContact CD2-CG2 3.81Å; F20-A377 HydrophobicContact CB-CB 3.55Å; F20-A377 HydrophobicContact CD1-CB 3.82Å; F20-A377 HydrophobicContact CD2-CB 4.45Å; F20-A377 HydrophobicContact CG-CB 3.69Å; F20-H384 HydrophobicContact CE1-CB 3.93Å; F20-H384 HydrophobicContact CZ-CB 4.08Å; F20-A386 HydrophobicContact CZ-CB 4.45Å; F20-V387 HydrophobicContact CD2-CG1 4.33Å; F20-V387 HydrophobicContact CE1-CG1 4.43Å; F20-V387 HydrophobicContact CE2-CG1 3.71Å; F20-V387 HydrophobicContact CZ-CG1 3.76Å
21	Q	87	Confident	92	Very high	46 Å²	46	33.9 Å²	33.9	22%	0.215	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	145	177.2	-65.6	-166.4	-26.1	0	0	111.3	V19 G23 K24	V19-Q21 HydrophobicContact CG1-CG 4.18Å; V19-Q21 HydrophobicContact CG2-CG 3.98Å; Q21-G23 PolarHBondContact O-N 3.18Å; Q21-K24 PolarHBondContact N-O 3.31Å; Q21-K24 PolarHBondContact O-N 3.2Å
22	H	82.9	Confident	91.8	Very high	173 Å²	173	39.4 Å²	39.4	80%	0.801	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.1	177.6	-45.8	106.1	0	0	0	113.3	K24	H22-K24 VanDerWaalsContact C-N 3.31Å; H22-K24 PolarHBondContact O-N 3.1Å
23	G	80.9	Confident	91.8	Very high	20 Å²	20	41.7 Å²	41.7	21%	0.206	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.9	176	0	0	0	0	0	115.7	F20 Q21 H384	F20-G23 VanDerWaalsContact CZ-C 3.41Å; Q21-G23 PolarHBondContact O-N 3.18Å; G23-H384 VanDerWaalsContact CA-CE1 3.41Å; G23-H384 WeakPolarHBondContact CA-CE1 3.26Å; G23-H384 VanDerWaalsContact CA-NE2 3.33Å; G23-H384 WeakPolarHBondContact CA-NE2 3.44Å
24	K	88.5	Confident	92	Very high	109 Å²	109	44.2 Å²	44.2	47%	0.474	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165.1	178.4	56	171	171.1	157	0	111.2	F20 Q21 H22 E26	F20-K24 CarbonylContact C-O 3.48Å; F20-K24 WeakPolarHBondContact CA-O 3.47Å; Q21-K24 PolarHBondContact N-O 3.31Å; Q21-K24 PolarHBondContact O-N 3.2Å; H22-K24 VanDerWaalsContact C-N 3.31Å; H22-K24 PolarHBondContact O-N 3.1Å; K24-E26 WeakPolarHBondContact CD-OE1 3.43Å; K24-E26 WeakPolarHBondContact CE-OE1 3.43Å; K24-E26 IonicContact NZ-OE1 3.43Å; K24-E26 PolarHBondContact NZ-OE1 3.41Å
25	V	91.9	Very high	92	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.3	170.3	179.3	0	0	0	0	109.7	V19 F20 I27 Y370 A373 V374	V19-V25 WeakPolarHBondContact O-CA 3.46Å; F20-V25 HydrophobicContact CD2-CG2 3.81Å; V25-I27 HydrophobicContact CG1-CD1 4.25Å; V25-Y370 HydrophobicContact CB-CD1 4.2Å; V25-Y370 HydrophobicContact CB-CD2 3.68Å; V25-Y370 HydrophobicContact CB-CE1 3.98Å; V25-Y370 HydrophobicContact CB-CE2 3.46Å; V25-Y370 VanDerWaalsContact CB-CE2 3.46Å; V25-Y370 HydrophobicContact CB-CG 4.05Å; V25-Y370 HydrophobicContact CG1-CD2 3.74Å; V25-Y370 HydrophobicContact CG1-CE2 4.06Å; V25-Y370 HydrophobicContact CG1-CG 3.99Å; V25-Y370 HydrophobicContact CG2-CD1 3.9Å; V25-Y370 HydrophobicContact CG2-CD2 4.3Å; V25-Y370 HydrophobicContact CG2-CE1 3.63Å; V25-Y370 HydrophobicContact CG2-CE2 4.08Å; V25-Y370 HydrophobicContact CG2-CG 4.21Å; V25-A373 HydrophobicContact CG1-CB 3.68Å; V25-A373 HydrophobicContact CG2-CB 4.28Å; V25-V374 HydrophobicContact CG2-CG2 3.49Å; V25-V374 VanDerWaalsContact CG2-CG2 3.49Å
26	E	94	Very high	91.8	Very high	52 Å²	52	49.5 Å²	49.5	24%	0.243	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.6	169.7	-68.8	-65.3	166.8	0	0	109.3	G18 V19 K24	G18-E26 CarbonylContact C-O 3.59Å; G18-E26 VanDerWaalsContact CA-O 3.27Å; G18-E26 WeakPolarHBondContact CA-O 3.32Å; V19-E26 HydrophobicContact CG1-CB 4.3Å; V19-E26 PolarHBondContact N-O 2.9Å; V19-E26 PolarHBondContact O-N 3.43Å; K24-E26 WeakPolarHBondContact CD-OE1 3.43Å; K24-E26 WeakPolarHBondContact CE-OE1 3.43Å; K24-E26 IonicContact NZ-OE1 3.43Å; K24-E26 PolarHBondContact NZ-OE1 3.41Å
27	I	96.7	Very high	91.8	Very high	21 Å²	21	49.6 Å²	49.6	11%	0.108	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.8	171.4	-59.1	-60.5	0	0	0	108.2	C16 V25 R35 E366 A369 Y370	C16-I27 VanDerWaalsContact SG-CG2 3.57Å; V25-I27 HydrophobicContact CG1-CD1 4.25Å; I27-R35 HydrophobicContact CG2-CB 3.96Å; I27-R35 HydrophobicContact CG2-CG 4.23Å; I27-E366 HydrophobicContact CG1-CB 4.23Å; I27-E366 HydrophobicContact CG2-CG 4.33Å; I27-A369 HydrophobicContact CD1-CB 4.26Å; I27-Y370 HydrophobicContact CD1-CD2 4.5Å
28	I	96.5	Very high	91.7	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-87.2	127.2	-170.2	-51.6	176.4	0	0	0	109.1	V17 V19 T129 A130 Y133	V17-I28 HydrophobicContact CG1-CB 4.26Å; V17-I28 PolarHBondContact O-N 3.27Å; V19-I28 HydrophobicContact CB-CD1 4.22Å; V19-I28 HydrophobicContact CG1-CD1 3.9Å; V19-I28 HydrophobicContact CG1-CG1 4.2Å; I28-T129 HydrophobicContact CB-CG2 4.5Å; I28-T129 HydrophobicContact CG2-CG2 3.82Å; I28-A130 HydrophobicContact CD1-CB 3.82Å; I28-Y133 HydrophobicContact CD1-CD1 3.78Å; I28-Y133 HydrophobicContact CD1-CE1 4.49Å; I28-Y133 HydrophobicContact CD1-CG 4.2Å; I28-Y133 HydrophobicContact CG1-CD1 3.97Å; I28-Y133 HydrophobicContact CG1-CE1 4.39Å; I28-Y133 HydrophobicContact CG1-CG 4.21Å; I28-Y133 VanDerWaalsContact CG2-CB 3.49Å; I28-Y133 HydrophobicContact CG2-CD1 4.34Å; I28-Y133 HydrophobicContact CG2-CD2 4.1Å; I28-Y133 HydrophobicContact CG2-CG 3.73Å
29	A	94.6	Very high	91.6	Very high	45 Å²	45	50 Å²	50	37%	0.372	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-76.3	143.3	172.7	0	0	0	0	0	110.7	N34 T129	A29-N34 CarbonylContact C-O 3.49Å; A29-N34 WeakPolarHBondContact CA-O 3.44Å; A29-T129 WeakPolarHBondContact O-CG2 3.36Å
30	N	91.7	Very high	91.7	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.059	27%	0.267	C	S	.	.			trans	-72.5	179.6	173.3	74.6	7.6	0	0	0	112	Q32 G33 N34 T37 D52 T129	N30-Q32 PolarHBondContact O-N 3.47Å; N30-Q32 VanDerWaalsContact O-N 3.08Å; N30-Q32 WeakPolarHBondContact OD1-CA 3.41Å; N30-Q32 WeakPolarHBondContact OD1-CB 3.4Å; N30-Q32 PolarHBondContact OD1-N 3.01Å; N30-G33 PolarHBondContact O-N 3.01Å; N30-G33 PolarHBondContact OD1-N 3.09Å; N30-N34 PolarHBondContact N-O 2.78Å; N30-N34 PolarHBondContact OD1-N 3.01Å; N30-N34 PolarHBondContact OD1-O 3.46Å; N30-T37 WeakPolarHBondContact CB-OG1 3.2Å; N30-T37 PolarHBondContact ND2-OG1 3.23Å; N30-D52 PolarHBondContact ND2-OD2 3.29Å; N30-T129 HydrophobicContact CB-CG2 4.35Å
31	D	86.6	Confident	91.9	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.1	179.1	54.1	-20.3	0	0	0	114.8	K125	D31-K125 VanDerWaalsContact CG-NZ 3.32Å; D31-K125 IonicContact OD1-NZ 3.5Å; D31-K125 PolarHBondContact OD1-NZ 2.96Å; D31-K125 IonicContact OD2-NZ 2.96Å; D31-K125 PolarHBondContact OD2-NZ 2.9Å
32	Q	86.5	Confident	92.3	Very high	126 Å²	126	47.5 Å²	47.5	59%	0.589	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	3.9	172.4	-59.5	-61.9	-60.7	0	0	113	N30 N34 D52	N30-Q32 PolarHBondContact O-N 3.47Å; N30-Q32 VanDerWaalsContact O-N 3.08Å; N30-Q32 WeakPolarHBondContact OD1-CA 3.41Å; N30-Q32 WeakPolarHBondContact OD1-CB 3.4Å; N30-Q32 PolarHBondContact OD1-N 3.01Å; Q32-N34 VanDerWaalsContact C-N 3.32Å; Q32-D52 HydrophobicContact CG-CB 4.06Å
33	G	88.9	Confident	92.9	Very high	56 Å²	56	39.3 Å²	39.3	58%	0.577	22%	0.216	S	C	*	.	S	Bend	trans	79.5	7.9	-177.9	0	0	0	0	0	114.7	N30	N30-G33 PolarHBondContact O-N 3.01Å; N30-G33 PolarHBondContact OD1-N 3.09Å
34	N	92.4	Very high	93.4	Very high	73 Å²	73	39.3 Å²	39.3	39%	0.39	21%	0.212	S	C	.	.			trans	-89.4	137.2	177.9	-62.8	-45.2	0	0	0	110.8	A29 N30 Q32 T36	A29-N34 CarbonylContact C-O 3.49Å; A29-N34 WeakPolarHBondContact CA-O 3.44Å; N30-N34 PolarHBondContact N-O 2.78Å; N30-N34 PolarHBondContact OD1-N 3.01Å; N30-N34 PolarHBondContact OD1-O 3.46Å; Q32-N34 VanDerWaalsContact C-N 3.32Å; N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 WeakPolarHBondContact CB-O 3.47Å; N34-T36 PolarHBondContact O-N 2.95Å
35	R	94.1	Very high	93.3	Very high	129 Å²	129	39.6 Å²	39.6	49%	0.487	22%	0.219	S	C	.	.	S	Bend	trans	-76.6	-10.4	176.5	-70.9	-177.4	175.6	-172.9	-4.3	114.7	C16 I27 E366	C16-R35 PolarHBondContact SG-O 3.15Å; I27-R35 HydrophobicContact CG2-CB 3.96Å; I27-R35 HydrophobicContact CG2-CG 4.23Å; R35-E366 WeakPolarHBondContact CD-OE1 3.32Å; R35-E366 IonicContact CZ-OE1 3.15Å; R35-E366 IonicContact NE-OE1 2.64Å; R35-E366 IonicContact NH1-OE1 3.18Å; R35-E366 PolarHBondContact NH1-OE1 2.85Å; R35-E366 VanDerWaalsContact NH1-OE1 3.14Å; R35-E366 IonicContact NH1-OE2 3.21Å; R35-E366 PolarHBondContact NH1-OE2 3.26Å
36	T	94.7	Very high	92.7	Very high	39 Å²	39	41.4 Å²	41.4	24%	0.239	23%	0.23	C	C	.	.	S	Bend	trans	-127.3	145.2	173.8	56.1	0	0	0	0	108.2	S15 C16 N34	S15-T36 WeakPolarHBondContact O-CA 3.44Å; C16-T36 HydrophobicContact CB-CG2 4.28Å; N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 WeakPolarHBondContact CB-O 3.47Å; N34-T36 PolarHBondContact O-N 2.95Å
37	T	96.3	Very high	92.4	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.025	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.2	-178.5	-62.7	0	0	0	0	109.1	Y14 S15 N30 S39 K125 M126	Y14-T37 CarbonylContact C-O 3.5Å; Y14-T37 VanDerWaalsContact CA-O 3.29Å; Y14-T37 WeakPolarHBondContact CA-O 3.37Å; S15-T37 PolarHBondContact N-O 3.27Å; S15-T37 PolarHBondContact O-N 2.86Å; N30-T37 WeakPolarHBondContact CB-OG1 3.2Å; N30-T37 PolarHBondContact ND2-OG1 3.23Å; T37-S39 PolarHBondContact O-N 3.27Å; T37-K125 HydrophobicContact CG2-CG 4.45Å; T37-M126 VanDerWaalsContact CB-CE 3.43Å; T37-M126 HydrophobicContact CG2-CE 3.69Å; T37-M126 WeakPolarHBondContact OG1-CE 3.36Å
38	P	95.4	Very high	92.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	134.9	176.1	-24.8	32.3	0	0	0	112.4	T13 Y14 Y40 G51 D52 K55	T13-P38 WeakPolarHBondContact O-CA 3.46Å; Y14-P38 HydrophobicContact CD1-CB 4.39Å; Y14-P38 HydrophobicContact CD1-CG 4.15Å; Y14-P38 HydrophobicContact CE1-CB 4.27Å; Y14-P38 HydrophobicContact CE1-CG 3.76Å; P38-Y40 HydrophobicContact CB-CD2 3.66Å; P38-Y40 HydrophobicContact CB-CE2 4.4Å; P38-Y40 HydrophobicContact CB-CG 4.27Å; P38-Y40 PolarHBondContact O-N 2.83Å; P38-G51 VanDerWaalsContact O-CA 3.29Å; P38-G51 WeakPolarHBondContact O-CA 2.93Å; P38-D52 WeakPolarHBondContact CG-OD1 3.13Å; P38-K55 HydrophobicContact CB-CB 4.08Å; P38-K55 HydrophobicContact CB-CD 3.94Å; P38-K55 HydrophobicContact CG-CB 4.13Å; P38-K55 HydrophobicContact CG-CD 3.76Å
39	S	96.3	Very high	91.9	Very high	12 Å²	12	43 Å²	43	8%	0.084	24%	0.237	C	C	.	.			trans	-80	56.6	175.6	-59.6	0	0	0	0	111.2	G11 T12 T13 S15 T37	G11-S39 WeakPolarHBondContact O-CB 3.47Å; G11-S39 PolarHBondContact O-OG 3.41Å; T12-S39 WeakPolarHBondContact O-CB 3.28Å; T13-S39 PolarHBondContact O-N 3.3Å; S15-S39 PolarHBondContact N-OG 3.44Å; S15-S39 PolarHBondContact OG-OG 3.02Å; T37-S39 PolarHBondContact O-N 3.27Å
40	Y	96.8	Very high	91.9	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.027	23%	0.226	C	C	.	.			trans	-117.3	138.1	-174.8	-78.8	-117.5	0	0	0	109.5	P38 I50 G51 A54 K55 V58 T65 V66 F67 R260	P38-Y40 HydrophobicContact CB-CD2 3.66Å; P38-Y40 HydrophobicContact CB-CE2 4.4Å; P38-Y40 HydrophobicContact CB-CG 4.27Å; P38-Y40 PolarHBondContact O-N 2.83Å; Y40-I50 WeakPolarHBondContact O-CA 3.16Å; Y40-G51 PolarHBondContact O-N 3.04Å; Y40-A54 WeakPolarHBondContact O-CB 3.41Å; Y40-K55 HydrophobicContact CD1-CB 4.19Å; Y40-K55 HydrophobicContact CD1-CG 4.44Å; Y40-K55 HydrophobicContact CE1-CG 4.45Å; Y40-K55 HydrophobicContact CG-CB 4.17Å; Y40-V58 HydrophobicContact CE1-CG2 4.29Å; Y40-T65 HydrophobicContact CD1-CG2 4Å; Y40-V66 WeakPolarHBondContact CA-O 3.19Å; Y40-F67 HydrophobicContact CD1-CB 3.75Å; Y40-F67 HydrophobicContact CD1-CD1 4.33Å; Y40-F67 HydrophobicContact CD1-CG 4.31Å; Y40-F67 HydrophobicContact CD2-CB 3.97Å; Y40-F67 HydrophobicContact CE1-CB 3.5Å; Y40-F67 VanDerWaalsContact CE1-CB 3.5Å; Y40-F67 AromaticContact CE1-CD1 3.8Å; Y40-F67 HydrophobicContact CE1-CD1 3.8Å; Y40-F67 HydrophobicContact CE1-CD2 4.48Å; Y40-F67 AromaticContact CE1-CG 3.68Å; Y40-F67 HydrophobicContact CE1-CG 3.68Å; Y40-F67 HydrophobicContact CE2-CB 3.72Å; Y40-F67 HydrophobicContact CE2-CG 4.48Å; Y40-F67 HydrophobicContact CG-CB 3.96Å; Y40-F67 VanDerWaalsContact CZ-CB 3.45Å; Y40-F67 AromaticContact CZ-CG 3.75Å; Y40-R260 VanDerWaalsContact CE1-NH2 3.26Å; Y40-R260 PolarHBondContact OH-NH1 3.26Å; Y40-R260 PolarHBondContact OH-NH2 3.17Å
41	V	96.7	Very high	92.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.8	173.4	-177.5	0	0	0	0	108.1	F43 L49 I50 T65 V66 V118 M121 V122	V41-F43 HydrophobicContact CB-CE2 4.47Å; V41-F43 HydrophobicContact CG1-CD2 4.46Å; V41-F43 HydrophobicContact CG1-CE1 4.38Å; V41-F43 HydrophobicContact CG1-CE2 3.74Å; V41-F43 HydrophobicContact CG1-CZ 3.69Å; V41-L49 CarbonylContact C-O 3.58Å; V41-L49 WeakPolarHBondContact CA-O 3.42Å; V41-I50 HydrophobicContact CG1-CG1 4.46Å; V41-I50 HydrophobicContact CG2-CG2 4.47Å; V41-T65 CarbonylContact O-C 3.58Å; V41-T65 WeakPolarHBondContact O-CA 3.36Å; V41-V66 PolarHBondContact N-O 3.43Å; V41-V66 PolarHBondContact O-N 3.41Å; V41-V118 HydrophobicContact CB-CG1 4.18Å; V41-V118 HydrophobicContact CG2-CG1 3.86Å; V41-M121 HydrophobicContact CG1-SD 3.68Å; V41-M121 HydrophobicContact CG2-CB 4.1Å; V41-V122 HydrophobicContact CG2-CG2 3.89Å
42	A	96.5	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.6	-178.9	0	0	0	0	0	110.9	R48 L49 A54 Q57 N64 T65	A42-R48 CarbonylContact O-C 3.53Å; A42-R48 WeakPolarHBondContact O-CA 3.44Å; A42-L49 HydrophobicContact CB-CB 4.45Å; A42-L49 PolarHBondContact N-O 3.38Å; A42-L49 PolarHBondContact O-N 3.49Å; A42-A54 HydrophobicContact CB-CB 3.72Å; A42-Q57 HydrophobicContact CB-CG 3.99Å; A42-N64 WeakPolarHBondContact CA-O 3.27Å; A42-T65 HydrophobicContact CB-CG2 3.9Å; A42-T65 WeakPolarHBondContact CB-OG1 3.45Å
43	F	95	Very high	92.7	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.6	-179.4	-57.6	-93.5	0	0	0	108.3	V41 R48 N61 N64 V66 V104 Y106 F113 M121	V41-F43 HydrophobicContact CB-CE2 4.47Å; V41-F43 HydrophobicContact CG1-CD2 4.46Å; V41-F43 HydrophobicContact CG1-CE1 4.38Å; V41-F43 HydrophobicContact CG1-CE2 3.74Å; V41-F43 HydrophobicContact CG1-CZ 3.69Å; F43-R48 HydrophobicContact CD1-CG 3.64Å; F43-R48 VanDerWaalsContact CE1-CD 3.48Å; F43-R48 HydrophobicContact CE1-CG 3.91Å; F43-N61 PolarHBondContact O-ND2 3.12Å; F43-N64 HydrophobicContact CB-CB 4.32Å; F43-N64 WeakPolarHBondContact CD2-O 3.42Å; F43-N64 PolarHBondContact N-O 3.41Å; F43-N64 WeakPolarHBondContact O-CB 3.34Å; F43-V66 HydrophobicContact CD2-CG2 4.46Å; F43-V66 HydrophobicContact CE2-CG2 3.98Å; F43-V104 HydrophobicContact CB-CG2 4.26Å; F43-V104 HydrophobicContact CD1-CG2 4.22Å; F43-V104 HydrophobicContact CD2-CB 4.1Å; F43-V104 HydrophobicContact CD2-CG1 3.94Å; F43-V104 HydrophobicContact CD2-CG2 3.75Å; F43-V104 HydrophobicContact CE2-CG1 4.24Å; F43-V104 HydrophobicContact CE2-CG2 4.12Å; F43-V104 HydrophobicContact CG-CB 4.4Å; F43-V104 HydrophobicContact CG-CG2 3.82Å; F43-Y106 HydrophobicContact CB-CD2 3.87Å; F43-Y106 HydrophobicContact CB-CG 4.23Å; F43-Y106 HydrophobicContact CD1-CD1 4.45Å; F43-Y106 HydrophobicContact CD1-CD2 4.11Å; F43-Y106 HydrophobicContact CD1-CG 4.01Å; F43-F113 AromaticContact CD1-CE2 3.92Å; F43-F113 HydrophobicContact CD1-CE2 3.92Å; F43-F113 HydrophobicContact CD1-CZ 4.26Å; F43-F113 AromaticContact CE1-CD2 3.96Å; F43-F113 HydrophobicContact CE1-CD2 3.96Å; F43-F113 HydrophobicContact CE1-CE1 4.33Å; F43-F113 AromaticContact CE1-CE2 3.34Å; F43-F113 HydrophobicContact CE1-CE2 3.34Å; F43-F113 AromaticContact CE1-CZ 3.56Å; F43-F113 HydrophobicContact CE1-CZ 3.56Å; F43-F113 HydrophobicContact CE2-CD2 4.33Å; F43-F113 HydrophobicContact CE2-CE2 4.38Å; F43-F113 AromaticContact CZ-CD2 3.72Å; F43-F113 HydrophobicContact CZ-CD2 3.72Å; F43-F113 AromaticContact CZ-CE2 3.62Å; F43-F113 HydrophobicContact CZ-CE2 3.62Å; F43-F113 HydrophobicContact CZ-CG 4.32Å; F43-F113 HydrophobicContact CZ-CZ 4.13Å; F43-M121 HydrophobicContact CE1-CE 4.14Å; F43-M121 HydrophobicContact CE1-SD 4.15Å; F43-M121 HydrophobicContact CZ-CE 4.11Å; F43-M121 HydrophobicContact CZ-SD 3.87Å
44	T	91.2	Very high	93	Very high	20 Å²	20	31.5 Å²	31.5	12%	0.123	17%	0.166	C	C	.	.			trans	-109.4	177.6	177	76.6	0	0	0	0	110.4	T46 E47 Q57 Y106 K107	T44-T46 PolarHBondContact O-N 3.34Å; T44-T46 PolarHBondContact OG1-N 3.05Å; T44-T46 PolarHBondContact OG1-OG1 3.22Å; T44-E47 PolarHBondContact N-O 2.82Å; T44-E47 PolarHBondContact OG1-N 3.33Å; T44-E47 PolarHBondContact OG1-O 3.41Å; T44-Q57 VanDerWaalsContact CG2-NE2 3.29Å; T44-Q57 VanDerWaalsContact CG2-OE1 3.31Å; T44-Y106 WeakPolarHBondContact O-CD2 3.46Å; T44-Y106 WeakPolarHBondContact O-CE2 3.34Å; T44-K107 PolarHBondContact O-N 2.97Å
45	D	85.5	Confident	93	Very high	115 Å²	115	29.5 Å²	29.5	62%	0.615	15%	0.154	S	C	*	.	S	Bend	trans	-67.3	-13.9	175.6	-60.6	-35.4	0	0	0	113.1	K107	D45-K107 WeakPolarHBondContact O-CG 3.36Å
46	T	80.6	Confident	92.8	Very high	48 Å²	48	29.6 Å²	29.6	29%	0.294	16%	0.164	S	C	.	.	S	Bend	trans	-118.2	-35.8	-173.7	54.8	0	0	0	0	113.6	T44 L585	T44-T46 PolarHBondContact O-N 3.34Å; T44-T46 PolarHBondContact OG1-N 3.05Å; T44-T46 PolarHBondContact OG1-OG1 3.22Å; T46-L585 HydrophobicContact CG2-CD2 3.91Å
47	E	87	Confident	92.5	Very high	60 Å²	60	29.3 Å²	29.3	28%	0.28	16%	0.16	S	C	.	.			trans	-155.9	169.9	-168.7	69.7	-172.6	133.5	0	0	112.9	T44 L49 Y106 Q531	T44-E47 PolarHBondContact N-O 2.82Å; T44-E47 PolarHBondContact OG1-N 3.33Å; T44-E47 PolarHBondContact OG1-O 3.41Å; E47-L49 VanDerWaalsContact CD-CD2 3.5Å; E47-L49 HydrophobicContact CG-CD2 3.76Å; E47-L49 HydrophobicContact CG-CG 4.28Å; E47-Y106 WeakPolarHBondContact O-CE2 3.2Å; E47-Q531 HydrophobicContact CB-CG 4.32Å
48	R	90.5	Very high	92.1	Very high	15 Å²	15	29.3 Å²	29.3	6%	0.057	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.7	166.6	-67.7	-177.4	-57.7	-80.9	-19.5	109.5	A42 F43 Y106 Y524 D528	A42-R48 CarbonylContact O-C 3.53Å; A42-R48 WeakPolarHBondContact O-CA 3.44Å; F43-R48 HydrophobicContact CD1-CG 3.64Å; F43-R48 VanDerWaalsContact CE1-CD 3.48Å; F43-R48 HydrophobicContact CE1-CG 3.91Å; R48-Y106 HydrophobicContact CG-CD2 4.41Å; R48-Y106 HydrophobicContact CG-CE1 4.24Å; R48-Y106 HydrophobicContact CG-CE2 3.8Å; R48-Y106 PolarHBondContact NH1-OH 3.45Å; R48-Y524 VanDerWaalsContact CZ-CB 3.45Å; R48-Y524 PolarHBondContact NH2-O 3.24Å; R48-D528 IonicContact CZ-OD1 2.66Å; R48-D528 IonicContact CZ-OD2 3.16Å; R48-D528 IonicContact NE-OD2 3.78Å; R48-D528 IonicContact NH2-OD1 3.7Å; R48-D528 PolarHBondContact NH2-OD1 2.89Å; R48-D528 IonicContact NH2-OD2 2.75Å; R48-D528 PolarHBondContact NH2-OD2 3.24Å
49	L	93	Very high	91.7	Very high	37 Å²	37	30.5 Å²	30.5	19%	0.194	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.1	170.5	-56.3	-173.2	0	0	0	109.2	V41 A42 E47 A53 A54 Q57	V41-L49 CarbonylContact C-O 3.58Å; V41-L49 WeakPolarHBondContact CA-O 3.42Å; A42-L49 HydrophobicContact CB-CB 4.45Å; A42-L49 PolarHBondContact N-O 3.38Å; A42-L49 PolarHBondContact O-N 3.49Å; E47-L49 VanDerWaalsContact CD-CD2 3.5Å; E47-L49 HydrophobicContact CG-CD2 3.76Å; E47-L49 HydrophobicContact CG-CG 4.28Å; L49-A53 HydrophobicContact CB-CB 3.96Å; L49-A53 HydrophobicContact CD1-CB 4.1Å; L49-A53 HydrophobicContact CD2-CB 4.34Å; L49-A53 HydrophobicContact CG-CB 4.36Å; L49-A54 HydrophobicContact CB-CB 4.27Å; L49-A54 WeakPolarHBondContact O-CB 3.38Å; L49-Q57 HydrophobicContact CD1-CG 4.4Å
50	I	94.6	Very high	91.2	Very high	27 Å²	27	36.1 Å²	36.1	14%	0.138	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	178.7	-54.3	168.8	0	0	0	108.3	Y40 V41 M121 K125	Y40-I50 WeakPolarHBondContact O-CA 3.16Å; V41-I50 HydrophobicContact CG1-CG1 4.46Å; V41-I50 HydrophobicContact CG2-CG2 4.47Å; I50-M121 HydrophobicContact CD1-CB 4.04Å; I50-K125 HydrophobicContact CB-CB 4.38Å; I50-K125 HydrophobicContact CB-CG 4.49Å; I50-K125 HydrophobicContact CG2-CB 3.72Å; I50-K125 HydrophobicContact CG2-CG 4.04Å
51	G	95.2	Very high	91	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-136	174.9	0	0	0	0	0	113.7	P38 Y40 A53 A54 K55	P38-G51 VanDerWaalsContact O-CA 3.29Å; P38-G51 WeakPolarHBondContact O-CA 2.93Å; Y40-G51 PolarHBondContact O-N 3.04Å; G51-A53 VanDerWaalsContact C-N 3.3Å; G51-A53 PolarHBondContact O-N 3.29Å; G51-A54 PolarHBondContact O-N 2.96Å; G51-K55 PolarHBondContact O-N 3.23Å
52	D	94.3	Very high	90.7	Very high	29 Å²	29	37.6 Å²	37.6	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-40.2	-179.1	-70.7	-68.4	0	0	0	112.1	N30 Q32 P38 A54 K55 N56	N30-D52 PolarHBondContact ND2-OD2 3.29Å; Q32-D52 HydrophobicContact CG-CB 4.06Å; P38-D52 WeakPolarHBondContact CG-OD1 3.13Å; D52-A54 VanDerWaalsContact C-N 3.33Å; D52-A54 PolarHBondContact O-N 3.35Å; D52-K55 PolarHBondContact O-N 3.28Å; D52-N56 WeakPolarHBondContact O-CB 3.42Å; D52-N56 PolarHBondContact O-N 3.39Å; D52-N56 PolarHBondContact O-ND2 2.81Å
53	A	92	Very high	90.5	Very high	46 Å²	46	42.3 Å²	42.3	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-43.1	176.5	0	0	0	0	0	112	L49 G51	L49-A53 HydrophobicContact CB-CB 3.96Å; L49-A53 HydrophobicContact CD1-CB 4.1Å; L49-A53 HydrophobicContact CD2-CB 4.34Å; L49-A53 HydrophobicContact CG-CB 4.36Å; G51-A53 VanDerWaalsContact C-N 3.3Å; G51-A53 PolarHBondContact O-N 3.29Å
54	A	94.4	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-45	174.8	0	0	0	0	0	112.1	Y40 A42 L49 G51 D52 N56 Q57 V58	Y40-A54 WeakPolarHBondContact O-CB 3.41Å; A42-A54 HydrophobicContact CB-CB 3.72Å; L49-A54 HydrophobicContact CB-CB 4.27Å; L49-A54 WeakPolarHBondContact O-CB 3.38Å; G51-A54 PolarHBondContact O-N 2.96Å; D52-A54 VanDerWaalsContact C-N 3.33Å; D52-A54 PolarHBondContact O-N 3.35Å; A54-N56 VanDerWaalsContact C-N 3.27Å; A54-N56 PolarHBondContact O-N 3.26Å; A54-Q57 WeakPolarHBondContact O-CG 3.32Å; A54-Q57 PolarHBondContact O-N 3.05Å; A54-V58 PolarHBondContact O-N 2.77Å
55	K	93.2	Very high	90.7	Very high	31 Å²	31	42.5 Å²	42.5	14%	0.135	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-36.3	179	-173.8	170.4	-177.4	160.7	0	111.9	Y14 P38 Y40 G51 D52 Q57 V58 E267	Y14-K55 PolarHBondContact OH-NZ 3.42Å; P38-K55 HydrophobicContact CB-CB 4.08Å; P38-K55 HydrophobicContact CB-CD 3.94Å; P38-K55 HydrophobicContact CG-CB 4.13Å; P38-K55 HydrophobicContact CG-CD 3.76Å; Y40-K55 HydrophobicContact CD1-CB 4.19Å; Y40-K55 HydrophobicContact CD1-CG 4.44Å; Y40-K55 HydrophobicContact CE1-CG 4.45Å; Y40-K55 HydrophobicContact CG-CB 4.17Å; G51-K55 PolarHBondContact O-N 3.23Å; D52-K55 PolarHBondContact O-N 3.28Å; K55-Q57 VanDerWaalsContact C-N 3.35Å; K55-Q57 PolarHBondContact O-N 3.23Å; K55-V58 WeakPolarHBondContact O-CG1 3.48Å; K55-E267 IonicContact NZ-OE1 3.84Å; K55-E267 PolarHBondContact NZ-OE1 2.99Å; K55-E267 IonicContact NZ-OE2 2.8Å
56	N	90.5	Very high	91.2	Very high	130 Å²	130	37 Å²	37	70%	0.695	20%	0.2	S	C	*	.	H	α-helix	trans	-68.2	-30.4	-178.1	-72.5	-20.5	0	0	0	113.4	D52 A54	D52-N56 WeakPolarHBondContact O-CB 3.42Å; D52-N56 PolarHBondContact O-N 3.39Å; D52-N56 PolarHBondContact O-ND2 2.81Å; A54-N56 VanDerWaalsContact C-N 3.27Å; A54-N56 PolarHBondContact O-N 3.26Å
57	Q	87.9	Confident	91.8	Very high	34 Å²	34	35 Å²	35	16%	0.159	19%	0.187	C	C	.	.	H	α-helix	trans	-95.8	-4	-178.8	67.1	167.4	-25.5	0	0	115.1	A42 T44 L49 A54 K55 A59 L60 N61	A42-Q57 HydrophobicContact CB-CG 3.99Å; T44-Q57 VanDerWaalsContact CG2-NE2 3.29Å; T44-Q57 VanDerWaalsContact CG2-OE1 3.31Å; L49-Q57 HydrophobicContact CD1-CG 4.4Å; A54-Q57 WeakPolarHBondContact O-CG 3.32Å; A54-Q57 PolarHBondContact O-N 3.05Å; K55-Q57 VanDerWaalsContact C-N 3.35Å; K55-Q57 PolarHBondContact O-N 3.23Å; Q57-A59 PolarHBondContact O-N 2.91Å; Q57-L60 PolarHBondContact O-N 2.87Å; Q57-N61 PolarHBondContact O-N 3.02Å
58	V	88.1	Confident	91.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.024	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.6	-174.7	71.4	0	0	0	0	114.4	Y40 A54 K55 P62 T65 F67 R260	Y40-V58 HydrophobicContact CE1-CG2 4.29Å; A54-V58 PolarHBondContact O-N 2.77Å; K55-V58 WeakPolarHBondContact O-CG1 3.48Å; V58-P62 WeakPolarHBondContact O-CA 3.49Å; V58-P62 WeakPolarHBondContact O-CB 3.39Å; V58-T65 HydrophobicContact CB-CG2 3.85Å; V58-T65 HydrophobicContact CG2-CG2 3.64Å; V58-F67 HydrophobicContact CG2-CD1 4.45Å; V58-F67 HydrophobicContact CG2-CE1 4.35Å; V58-R260 HydrophobicContact CB-CG 4.44Å; V58-R260 HydrophobicContact CG1-CG 3.81Å; V58-R260 VanDerWaalsContact CG1-NE 3.28Å; V58-R260 HydrophobicContact CG2-CG 3.97Å
59	A	85.4	Confident	92	Very high	24 Å²	24	32.3 Å²	32.3	20%	0.198	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-27.9	176.4	0	0	0	0	0	113.2	Q57 R257 R261	Q57-A59 PolarHBondContact O-N 2.91Å; A59-R257 WeakPolarHBondContact O-CD 3.4Å; A59-R257 WeakPolarHBondContact O-CG 3.37Å; A59-R261 HydrophobicContact CB-CG 3.96Å
60	L	87.3	Confident	91.9	Very high	131 Å²	131	31.1 Å²	31.1	69%	0.686	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-34.1	177.9	-66	172.1	0	0	0	111.5	Q57 P62	Q57-L60 PolarHBondContact O-N 2.87Å; L60-P62 WeakPolarHBondContact O-CD 3.44Å
61	N	91.3	Very high	91.5	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.144	17%	0.166	C	C	.	.	S	Bend	trans	-125.5	58.2	-177.7	-172.6	16.7	0	0	0	112.2	F43 Q57 H63 N64 T65	F43-N61 PolarHBondContact O-ND2 3.12Å; Q57-N61 PolarHBondContact O-N 3.02Å; N61-H63 PolarHBondContact O-N 3.1Å; N61-N64 VanDerWaalsContact OD1-CB 3.28Å; N61-N64 WeakPolarHBondContact OD1-CB 3.25Å; N61-N64 PolarHBondContact OD1-ND2 3.35Å; N61-T65 VanDerWaalsContact O-CB 3.31Å; N61-T65 WeakPolarHBondContact O-CB 3.22Å; N61-T65 PolarHBondContact O-N 3.41Å; N61-T65 PolarHBondContact O-OG1 3.07Å
62	P	90.8	Very high	91.3	Very high	11 Å²	11	30.6 Å²	30.6	7%	0.071	17%	0.167	C	C	.	.	S	Bend	trans	-67	-36	-171.5	27	-35.1	0	0	0	113	V58 L60 N64 P90 P256	V58-P62 WeakPolarHBondContact O-CA 3.49Å; V58-P62 WeakPolarHBondContact O-CB 3.39Å; L60-P62 WeakPolarHBondContact O-CD 3.44Å; P62-N64 VanDerWaalsContact C-N 3.34Å; P62-N64 PolarHBondContact O-N 2.97Å; P62-P90 HydrophobicContact CB-CB 3.87Å; P62-P90 HydrophobicContact CB-CG 4.15Å; P62-P90 WeakPolarHBondContact O-CG 3.47Å; P62-P256 HydrophobicContact CB-CB 4.28Å; P62-P256 HydrophobicContact CG-CB 4.13Å
63	H	92.7	Very high	91.1	Very high	98 Å²	98	29.2 Å²	29.2	45%	0.454	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.4	-176	-64.8	-63	0	0	0	113.6	N61 P90 F91	N61-H63 PolarHBondContact O-N 3.1Å; H63-P90 PolarHBondContact ND1-O 3.33Å; H63-F91 WeakPolarHBondContact O-CA 3.37Å; H63-F91 WeakPolarHBondContact O-CB 3.49Å
64	N	95.5	Very high	90.7	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.134	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	16.6	179.8	-46.6	-55.3	0	0	0	112.3	A42 F43 N61 P62 V104 E105	A42-N64 WeakPolarHBondContact CA-O 3.27Å; F43-N64 HydrophobicContact CB-CB 4.32Å; F43-N64 WeakPolarHBondContact CD2-O 3.42Å; F43-N64 PolarHBondContact N-O 3.41Å; F43-N64 WeakPolarHBondContact O-CB 3.34Å; N61-N64 VanDerWaalsContact OD1-CB 3.28Å; N61-N64 WeakPolarHBondContact OD1-CB 3.25Å; N61-N64 PolarHBondContact OD1-ND2 3.35Å; P62-N64 VanDerWaalsContact C-N 3.34Å; P62-N64 PolarHBondContact O-N 2.97Å; N64-V104 HydrophobicContact CB-CB 4.32Å; N64-E105 PolarHBondContact OD1-N 3.07Å
65	T	95.9	Very high	90.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	108	171.3	-58.1	0	0	0	0	109.7	Y40 V41 A42 V58 N61 F91	Y40-T65 HydrophobicContact CD1-CG2 4Å; V41-T65 CarbonylContact O-C 3.58Å; V41-T65 WeakPolarHBondContact O-CA 3.36Å; A42-T65 HydrophobicContact CB-CG2 3.9Å; A42-T65 WeakPolarHBondContact CB-OG1 3.45Å; V58-T65 HydrophobicContact CB-CG2 3.85Å; V58-T65 HydrophobicContact CG2-CG2 3.64Å; N61-T65 VanDerWaalsContact O-CB 3.31Å; N61-T65 WeakPolarHBondContact O-CB 3.22Å; N61-T65 PolarHBondContact O-N 3.41Å; N61-T65 PolarHBondContact O-OG1 3.07Å; T65-F91 WeakPolarHBondContact O-CD1 3.48Å
66	V	95.6	Very high	90.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.3	-178.8	-168.2	0	0	0	0	109.9	Y40 V41 F43 A69 F91 I102 V104 V118	Y40-V66 WeakPolarHBondContact CA-O 3.19Å; V41-V66 PolarHBondContact N-O 3.43Å; V41-V66 PolarHBondContact O-N 3.41Å; F43-V66 HydrophobicContact CD2-CG2 4.46Å; F43-V66 HydrophobicContact CE2-CG2 3.98Å; V66-A69 HydrophobicContact CG1-CB 4.45Å; V66-F91 HydrophobicContact CG1-CE1 4.23Å; V66-F91 HydrophobicContact CG1-CE2 4.25Å; V66-F91 HydrophobicContact CG1-CZ 4.06Å; V66-I102 HydrophobicContact CG1-CG1 4.32Å; V66-I102 HydrophobicContact CG1-CG2 4.26Å; V66-I102 HydrophobicContact CG2-CG2 3.66Å; V66-V104 HydrophobicContact CG2-CG1 3.98Å; V66-V118 HydrophobicContact CB-CG1 4.26Å; V66-V118 HydrophobicContact CG1-CG1 3.95Å; V66-V118 HydrophobicContact CG1-CG2 4.43Å
67	F	92.9	Very high	90	Very high	5 Å²	5	31 Å²	31	2%	0.022	15%	0.15	C	C	.	.			trans	-146.8	166.1	175	56.3	-85.8	0	0	0	108.5	Y40 V58 A69 P90 F91	Y40-F67 HydrophobicContact CD1-CB 3.75Å; Y40-F67 HydrophobicContact CD1-CD1 4.33Å; Y40-F67 HydrophobicContact CD1-CG 4.31Å; Y40-F67 HydrophobicContact CD2-CB 3.97Å; Y40-F67 HydrophobicContact CE1-CB 3.5Å; Y40-F67 VanDerWaalsContact CE1-CB 3.5Å; Y40-F67 AromaticContact CE1-CD1 3.8Å; Y40-F67 HydrophobicContact CE1-CD1 3.8Å; Y40-F67 HydrophobicContact CE1-CD2 4.48Å; Y40-F67 AromaticContact CE1-CG 3.68Å; Y40-F67 HydrophobicContact CE1-CG 3.68Å; Y40-F67 HydrophobicContact CE2-CB 3.72Å; Y40-F67 HydrophobicContact CE2-CG 4.48Å; Y40-F67 HydrophobicContact CG-CB 3.96Å; Y40-F67 VanDerWaalsContact CZ-CB 3.45Å; Y40-F67 AromaticContact CZ-CG 3.75Å; V58-F67 HydrophobicContact CG2-CD1 4.45Å; V58-F67 HydrophobicContact CG2-CE1 4.35Å; F67-A69 PolarHBondContact O-N 3.24Å; F67-A69 VanDerWaalsContact O-N 3.11Å; F67-P90 HydrophobicContact CE1-CG 3.91Å; F67-P90 HydrophobicContact CZ-CG 4.23Å; F67-F91 HydrophobicContact CD1-CD1 4.46Å; F67-F91 AromaticContact CD1-CE1 3.98Å; F67-F91 HydrophobicContact CD1-CE1 3.98Å; F67-F91 HydrophobicContact CE1-CD1 4.25Å; F67-F91 AromaticContact CE1-CE1 3.93Å; F67-F91 HydrophobicContact CE1-CE1 3.93Å; F67-F91 HydrophobicContact CG-CE1 4.39Å; F67-F91 HydrophobicContact CZ-CE1 4.3Å; F67-F91 WeakPolarHBondContact O-CZ 3.37Å
68	D	89.4	Confident	90	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.053	17%	0.167	C	C	.	.			trans	57.2	24	-177.1	-45.7	-18.7	0	0	0	113.7	T12 K70 R71	T12-D68 HydrophobicContact CG2-CB 3.99Å; D68-K70 PolarHBondContact O-N 2.85Å; D68-R71 HydrophobicContact CB-CG 4.36Å; D68-R71 WeakPolarHBondContact O-CB 3.49Å; D68-R71 PolarHBondContact O-N 3.08Å
69	A	91.5	Very high	89.9	Confident	8 Å²	8	35.8 Å²	35.8	7%	0.066	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.2	-27.9	-179.4	0	0	0	0	0	112.5	V66 F67 R71 L72 I73 V118	V66-A69 HydrophobicContact CG1-CB 4.45Å; F67-A69 PolarHBondContact O-N 3.24Å; F67-A69 VanDerWaalsContact O-N 3.11Å; A69-R71 PolarHBondContact O-N 2.93Å; A69-L72 WeakPolarHBondContact O-CB 3.45Å; A69-L72 PolarHBondContact O-N 2.93Å; A69-I73 PolarHBondContact O-N 3.12Å; A69-V118 HydrophobicContact CB-CB 4.09Å; A69-V118 HydrophobicContact CB-CG1 3.7Å
70	K	90.5	Very high	89.8	Confident	13 Å²	13	39.3 Å²	39.3	6%	0.057	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28	173.4	-169.7	175.4	-175.2	-179	0	113.3	L10 D68 L72 I73 F149 E174	L10-K70 WeakPolarHBondContact O-CD 3.46Å; L10-K70 WeakPolarHBondContact O-CE 3.31Å; L10-K70 PolarHBondContact O-NZ 2.92Å; D68-K70 PolarHBondContact O-N 2.85Å; K70-L72 VanDerWaalsContact C-N 3.26Å; K70-L72 PolarHBondContact O-N 3.34Å; K70-I73 VanDerWaalsContact O-CG2 3.26Å; K70-I73 WeakPolarHBondContact O-CG2 3.42Å; K70-I73 PolarHBondContact O-N 3.38Å; K70-F149 HydrophobicContact CG-CZ 4.09Å; K70-E174 IonicContact NZ-OE1 3.22Å; K70-E174 PolarHBondContact NZ-OE1 3.38Å
71	R	88.2	Confident	89.6	Confident	14 Å²	14	33.9 Å²	33.9	5%	0.053	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-69	-24.9	175.4	-67.8	-179.6	172.6	-96.6	5.2	112.7	T12 D68 A69 R75 D85 W89 G202 H226 E230 D231	T12-R71 HydrophobicContact CG2-CG 4.05Å; D68-R71 HydrophobicContact CB-CG 4.36Å; D68-R71 WeakPolarHBondContact O-CB 3.49Å; D68-R71 PolarHBondContact O-N 3.08Å; A69-R71 PolarHBondContact O-N 2.93Å; R71-R75 WeakPolarHBondContact O-CD 3.02Å; R71-R75 PolarHBondContact O-NE 3.43Å; R71-D85 WeakPolarHBondContact CD-OD2 3.38Å; R71-D85 IonicContact NH1-OD2 2.72Å; R71-D85 PolarHBondContact NH1-OD2 3.1Å; R71-W89 HydrophobicContact CB-CZ2 4.23Å; R71-G202 PolarHBondContact NH2-O 3.41Å; R71-H226 PolarHBondContact NH1-CD2 3.3Å; R71-E230 IonicContact CZ-OE2 3.53Å; R71-E230 VanDerWaalsContact CZ-OE2 3.27Å; R71-E230 IonicContact NE-OE2 3.65Å; R71-E230 PolarHBondContact NE-OE2 3.14Å; R71-E230 IonicContact NH2-OE2 3.5Å; R71-E230 PolarHBondContact NH2-OE2 3.39Å; R71-D231 IonicContact NH2-OD2 3.71Å; R71-D231 PolarHBondContact NH2-OD2 3.06Å
72	L	90.1	Very high	89.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-19.9	180	-68.5	172.2	0	0	0	113.6	A69 K70 G74 R75 V82 W89 V93 P100 I102 P115	A69-L72 WeakPolarHBondContact O-CB 3.45Å; A69-L72 PolarHBondContact O-N 2.93Å; K70-L72 VanDerWaalsContact C-N 3.26Å; K70-L72 PolarHBondContact O-N 3.34Å; L72-G74 PolarHBondContact O-N 3.2Å; L72-R75 PolarHBondContact O-N 3.04Å; L72-R75 VanDerWaalsContact O-N 3.16Å; L72-V82 HydrophobicContact CD2-CB 4.44Å; L72-V82 HydrophobicContact CD2-CG1 3.64Å; L72-V82 HydrophobicContact CD2-CG2 4.08Å; L72-W89 HydrophobicContact CD1-CH2 4.02Å; L72-W89 HydrophobicContact CD1-CZ3 3.96Å; L72-W89 HydrophobicContact CD2-CH2 3.49Å; L72-W89 VanDerWaalsContact CD2-CH2 3.49Å; L72-W89 HydrophobicContact CD2-CZ3 3.6Å; L72-W89 HydrophobicContact CG-CH2 3.58Å; L72-W89 HydrophobicContact CG-CZ2 4.39Å; L72-W89 HydrophobicContact CG-CZ3 3.92Å; L72-V93 HydrophobicContact CD1-CG2 4.22Å; L72-P100 HydrophobicContact CD2-CB 4.13Å; L72-P100 HydrophobicContact CD2-CG 4.34Å; L72-I102 HydrophobicContact CD1-CD1 4.02Å; L72-I102 HydrophobicContact CD1-CG1 4.06Å; L72-P115 HydrophobicContact CB-CB 3.79Å; L72-P115 HydrophobicContact CB-CG 3.46Å; L72-P115 VanDerWaalsContact CB-CG 3.46Å; L72-P115 HydrophobicContact CD1-CG 4.39Å
73	I	89	Confident	89.5	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	131	-171	-152.9	168.6	0	0	0	111.1	A69 K70 R75 P115 E116 F149 Q153 A156	A69-I73 PolarHBondContact O-N 3.12Å; K70-I73 VanDerWaalsContact O-CG2 3.26Å; K70-I73 WeakPolarHBondContact O-CG2 3.42Å; K70-I73 PolarHBondContact O-N 3.38Å; I73-R75 PolarHBondContact O-N 3.1Å; I73-P115 HydrophobicContact CB-CB 4.48Å; I73-E116 HydrophobicContact CG1-CG 4.18Å; I73-F149 HydrophobicContact CG2-CE2 3.88Å; I73-F149 HydrophobicContact CG2-CZ 4.19Å; I73-Q153 WeakPolarHBondContact O-CG 3.34Å; I73-A156 HydrophobicContact CD1-CB 4.35Å; I73-A156 HydrophobicContact CG1-CB 3.67Å
74	G	85.4	Confident	89.2	Confident	14 Å²	14	33.6 Å²	33.6	14%	0.144	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	6	179.9	0	0	0	0	0	116.6	L72 E116 S152	L72-G74 PolarHBondContact O-N 3.2Å; G74-E116 PolarHBondContact N-OE1 2.78Å; G74-S152 PolarHBondContact O-OG 2.88Å
75	R	87	Confident	88.7	Confident	46 Å²	46	33 Å²	33	17%	0.174	18%	0.175	C	C	.	.			trans	-94.4	164.1	178.1	-66.7	-165	-177.2	-88.8	-7.7	112.4	R71 L72 I73 D79 V82 P100 T225 H226	R71-R75 WeakPolarHBondContact O-CD 3.02Å; R71-R75 PolarHBondContact O-NE 3.43Å; L72-R75 PolarHBondContact O-N 3.04Å; L72-R75 VanDerWaalsContact O-N 3.16Å; I73-R75 PolarHBondContact O-N 3.1Å; R75-D79 IonicContact CZ-OD2 2.81Å; R75-D79 IonicContact NH1-OD2 2.8Å; R75-D79 PolarHBondContact NH1-OD2 2.79Å; R75-V82 HydrophobicContact CB-CG2 3.88Å; R75-V82 HydrophobicContact CG-CG2 4.39Å; R75-P100 WeakPolarHBondContact O-CD 3.48Å; R75-T225 PolarHBondContact NH2-OG1 3.48Å; R75-H226 PolarHBondContact NH2-CE1 3.24Å
76	R	86.3	Confident	88.4	Confident	123 Å²	123	35.2 Å²	35.2	46%	0.464	19%	0.185	S	C	.	.			trans	-93.9	153.1	171.2	-61.6	175.3	54.1	85.8	2.7	110.8	D78 D79	R76-D78 WeakPolarHBondContact CB-OD1 3.31Å; R76-D78 IonicContact CZ-OD1 3.2Å; R76-D78 IonicContact CZ-OD2 2.68Å; R76-D78 IonicContact NE-OD1 2.92Å; R76-D78 PolarHBondContact NE-OD1 2.84Å; R76-D78 IonicContact NE-OD2 3Å; R76-D78 IonicContact NH2-OD1 2.71Å; R76-D78 IonicContact NH2-OD2 2.98Å; R76-D78 PolarHBondContact NH2-OD2 3.1Å; R76-D78 PolarHBondContact O-N 3.09Å; R76-D79 VanDerWaalsContact O-CB 3.28Å; R76-D79 WeakPolarHBondContact O-CB 3.27Å; R76-D79 PolarHBondContact O-N 3.26Å
77	Y	89.2	Confident	88	Confident	60 Å²	60	43 Å²	43	24%	0.235	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.6	177.2	-178	-92.2	0	0	0	111.9	D79 Q83 M86 V93 I94 G98 P100	Y77-D79 VanDerWaalsContact C-N 3.28Å; Y77-D79 PolarHBondContact O-N 2.94Å; Y77-Q83 PolarHBondContact O-NE2 3.25Å; Y77-M86 HydrophobicContact CE2-CE 3.95Å; Y77-M86 HydrophobicContact CE2-SD 3.91Å; Y77-V93 HydrophobicContact CD2-CG1 4.22Å; Y77-V93 HydrophobicContact CE2-CG1 4.18Å; Y77-I94 WeakPolarHBondContact CD2-O 3.15Å; Y77-I94 VanDerWaalsContact CE2-C 3.4Å; Y77-G98 WeakPolarHBondContact CB-O 3.4Å; Y77-G98 PolarHBondContact N-O 2.91Å; Y77-P100 HydrophobicContact CD2-CB 4.34Å
78	D	88.5	Confident	87.5	Confident	96 Å²	96	46.3 Å²	46.3	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.1	-178.5	55.6	2.3	0	0	0	114.2	R76 S80	R76-D78 WeakPolarHBondContact CB-OD1 3.31Å; R76-D78 IonicContact CZ-OD1 3.2Å; R76-D78 IonicContact CZ-OD2 2.68Å; R76-D78 IonicContact NE-OD1 2.92Å; R76-D78 PolarHBondContact NE-OD1 2.84Å; R76-D78 IonicContact NE-OD2 3Å; R76-D78 IonicContact NH2-OD1 2.71Å; R76-D78 IonicContact NH2-OD2 2.98Å; R76-D78 PolarHBondContact NH2-OD2 3.1Å; R76-D78 PolarHBondContact O-N 3.09Å; D78-S80 PolarHBondContact O-N 2.84Å
79	D	84.7	Confident	87.5	Confident	43 Å²	43	47 Å²	47	23%	0.23	24%	0.236	C	C	.	.			trans	-61	127.8	174.3	-174.5	-34.7	0	0	0	110.1	R75 R76 Y77 A81 V82 Q83	R75-D79 IonicContact CZ-OD2 2.81Å; R75-D79 IonicContact NH1-OD2 2.8Å; R75-D79 PolarHBondContact NH1-OD2 2.79Å; R76-D79 VanDerWaalsContact O-CB 3.28Å; R76-D79 WeakPolarHBondContact O-CB 3.27Å; R76-D79 PolarHBondContact O-N 3.26Å; Y77-D79 VanDerWaalsContact C-N 3.28Å; Y77-D79 PolarHBondContact O-N 2.94Å; D79-A81 PolarHBondContact O-N 2.62Å; D79-A81 VanDerWaalsContact O-N 3.12Å; D79-A81 WeakPolarHBondContact OD1-CB 3.25Å; D79-A81 PolarHBondContact OD1-N 2.99Å; D79-V82 HydrophobicContact CB-CB 4.17Å; D79-V82 HydrophobicContact CB-CG2 3.9Å; D79-V82 WeakPolarHBondContact O-CB 3.42Å; D79-V82 PolarHBondContact O-N 3.44Å; D79-V82 VanDerWaalsContact O-N 3.07Å; D79-Q83 WeakPolarHBondContact O-CG 3.34Å; D79-Q83 PolarHBondContact O-N 3.45Å
80	S	84.3	Confident	87.4	Confident	99 Å²	99	47.9 Å²	47.9	69%	0.692	24%	0.241	S	C	*	.	H	α-helix	trans	-53.9	-33.4	-179.1	62.9	0	0	0	0	113.7	D78 S84	D78-S80 PolarHBondContact O-N 2.84Å; S80-S84 PolarHBondContact O-N 2.87Å
81	A	82.5	Confident	87.5	Confident	17 Å²	17	47.6 Å²	47.6	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-75.9	-40.1	-180	0	0	0	0	0	111.3	D79 Q83 S84 D85 H226	D79-A81 PolarHBondContact O-N 2.62Å; D79-A81 VanDerWaalsContact O-N 3.12Å; D79-A81 WeakPolarHBondContact OD1-CB 3.25Å; D79-A81 PolarHBondContact OD1-N 2.99Å; A81-Q83 VanDerWaalsContact C-N 3.31Å; A81-Q83 PolarHBondContact O-N 3Å; A81-S84 WeakPolarHBondContact O-CB 3.29Å; A81-S84 PolarHBondContact O-N 3.46Å; A81-S84 VanDerWaalsContact O-N 3.08Å; A81-D85 PolarHBondContact O-N 2.88Å; A81-H226 WeakPolarHBondContact CB-CE1 3.28Å; A81-H226 WeakPolarHBondContact CB-NE2 3.46Å
82	V	87.7	Confident	87.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-45	171.1	173.8	0	0	0	0	110.4	L72 R75 D79 S84 D85 M86	L72-V82 HydrophobicContact CD2-CB 4.44Å; L72-V82 HydrophobicContact CD2-CG1 3.64Å; L72-V82 HydrophobicContact CD2-CG2 4.08Å; R75-V82 HydrophobicContact CB-CG2 3.88Å; R75-V82 HydrophobicContact CG-CG2 4.39Å; D79-V82 HydrophobicContact CB-CB 4.17Å; D79-V82 HydrophobicContact CB-CG2 3.9Å; D79-V82 WeakPolarHBondContact O-CB 3.42Å; D79-V82 PolarHBondContact O-N 3.44Å; D79-V82 VanDerWaalsContact O-N 3.07Å; V82-S84 PolarHBondContact O-N 3.41Å; V82-D85 PolarHBondContact O-N 3.26Å; V82-M86 HydrophobicContact CG1-CG 4.27Å; V82-M86 HydrophobicContact CG1-SD 4.03Å; V82-M86 WeakPolarHBondContact O-CB 3.47Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 3.25Å
83	Q	92.1	Very high	88.1	Confident	74 Å²	74	52.9 Å²	52.9	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-30.5	176.7	-68.1	-62.8	-50.4	0	0	113.2	Y77 D79 A81	Y77-Q83 PolarHBondContact O-NE2 3.25Å; D79-Q83 WeakPolarHBondContact O-CG 3.34Å; D79-Q83 PolarHBondContact O-N 3.45Å; A81-Q83 VanDerWaalsContact C-N 3.31Å; A81-Q83 PolarHBondContact O-N 3Å
84	S	86.2	Confident	88.4	Confident	54 Å²	54	54.3 Å²	54.3	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-73.3	-51.3	174.4	-170	0	0	0	0	111.2	S80 A81 V82 M86 K87	S80-S84 PolarHBondContact O-N 2.87Å; A81-S84 WeakPolarHBondContact O-CB 3.29Å; A81-S84 PolarHBondContact O-N 3.46Å; A81-S84 VanDerWaalsContact O-N 3.08Å; V82-S84 PolarHBondContact O-N 3.41Å; S84-M86 VanDerWaalsContact C-N 3.32Å; S84-M86 PolarHBondContact O-N 2.97Å; S84-K87 WeakPolarHBondContact O-CB 3.32Å; S84-K87 PolarHBondContact O-N 2.89Å; S84-K87 VanDerWaalsContact O-N 3.15Å
85	D	86.2	Confident	88.7	Confident	14 Å²	14	56.6 Å²	56.6	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-34.1	-175.5	-69.9	-13.9	0	0	0	112.4	R71 A81 V82 K87 H88 W89 H226	R71-D85 WeakPolarHBondContact CD-OD2 3.38Å; R71-D85 IonicContact NH1-OD2 2.72Å; R71-D85 PolarHBondContact NH1-OD2 3.1Å; A81-D85 PolarHBondContact O-N 2.88Å; V82-D85 PolarHBondContact O-N 3.26Å; D85-K87 PolarHBondContact O-N 2.91Å; D85-H88 WeakPolarHBondContact O-CB 3.1Å; D85-H88 PolarHBondContact O-N 3.22Å; D85-W89 HydrophobicContact CB-CH2 3.59Å; D85-W89 HydrophobicContact CB-CZ2 3.52Å; D85-W89 HydrophobicContact CB-CZ3 4.25Å; D85-H226 IonicContact OD2-CD2 2.71Å; D85-H226 PolarHBondContact OD2-CD2 2.78Å; D85-H226 IonicContact OD2-NE2 3.94Å
86	M	89.5	Confident	88.8	Confident	46 Å²	46	58.1 Å²	58.1	23%	0.227	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.1	174.1	-80.8	-179.8	62	0	0	114.1	Y77 V82 S84 H88 W89 V93	Y77-M86 HydrophobicContact CE2-CE 3.95Å; Y77-M86 HydrophobicContact CE2-SD 3.91Å; V82-M86 HydrophobicContact CG1-CG 4.27Å; V82-M86 HydrophobicContact CG1-SD 4.03Å; V82-M86 WeakPolarHBondContact O-CB 3.47Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 3.25Å; S84-M86 VanDerWaalsContact C-N 3.32Å; S84-M86 PolarHBondContact O-N 2.97Å; M86-H88 PolarHBondContact O-N 3.12Å; M86-W89 HydrophobicContact CB-CE3 4.23Å; M86-W89 HydrophobicContact CB-CZ3 4.36Å; M86-W89 HydrophobicContact CG-CE3 3.74Å; M86-W89 HydrophobicContact CG-CZ3 3.56Å; M86-V93 HydrophobicContact CE-CB 3.94Å; M86-V93 WeakPolarHBondContact CE-O 3.37Å; M86-V93 HydrophobicContact CG-CB 4.21Å; M86-V93 HydrophobicContact CG-CG2 4.36Å; M86-V93 HydrophobicContact SD-CB 4.02Å; M86-V93 HydrophobicContact SD-CG1 4.26Å
87	K	85.7	Confident	88.6	Confident	164 Å²	164	56 Å²	56	71%	0.713	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-14.8	177.1	-60.6	171.8	-173.3	168	0	112.9	S84 D85	S84-K87 WeakPolarHBondContact O-CB 3.32Å; S84-K87 PolarHBondContact O-N 2.89Å; S84-K87 VanDerWaalsContact O-N 3.15Å; D85-K87 PolarHBondContact O-N 2.91Å
88	H	83.3	Confident	88.3	Confident	75 Å²	75	53.9 Å²	53.9	35%	0.347	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-11	-175.7	-59.7	-51.9	0	0	0	113.2	D85 M86	D85-H88 WeakPolarHBondContact O-CB 3.1Å; D85-H88 PolarHBondContact O-N 3.22Å; M86-H88 PolarHBondContact O-N 3.12Å
89	W	89.1	Confident	88.2	Confident	24 Å²	24	52 Å²	52	9%	0.091	30%	0.297	C	S	.	.			trans	-88.5	133.4	177.7	-62.1	-35.1	0	0	0	111.9	R71 L72 D85 M86 F91 V93	R71-W89 HydrophobicContact CB-CZ2 4.23Å; L72-W89 HydrophobicContact CD1-CH2 4.02Å; L72-W89 HydrophobicContact CD1-CZ3 3.96Å; L72-W89 HydrophobicContact CD2-CH2 3.49Å; L72-W89 VanDerWaalsContact CD2-CH2 3.49Å; L72-W89 HydrophobicContact CD2-CZ3 3.6Å; L72-W89 HydrophobicContact CG-CH2 3.58Å; L72-W89 HydrophobicContact CG-CZ2 4.39Å; L72-W89 HydrophobicContact CG-CZ3 3.92Å; D85-W89 HydrophobicContact CB-CH2 3.59Å; D85-W89 HydrophobicContact CB-CZ2 3.52Å; D85-W89 HydrophobicContact CB-CZ3 4.25Å; M86-W89 HydrophobicContact CB-CE3 4.23Å; M86-W89 HydrophobicContact CB-CZ3 4.36Å; M86-W89 HydrophobicContact CG-CE3 3.74Å; M86-W89 HydrophobicContact CG-CZ3 3.56Å; W89-F91 HydrophobicContact CB-CD1 4.16Å; W89-F91 HydrophobicContact CB-CD2 4.18Å; W89-F91 HydrophobicContact CB-CE1 3.82Å; W89-F91 HydrophobicContact CB-CE2 3.84Å; W89-F91 HydrophobicContact CB-CG 4.34Å; W89-F91 HydrophobicContact CB-CZ 3.66Å; W89-F91 AromaticContact CD1-CE1 3.92Å; W89-F91 AromaticContact CD1-CZ 3.66Å; W89-F91 AromaticContact CD2-CE2 3.83Å; W89-F91 HydrophobicContact CD2-CE2 3.83Å; W89-F91 AromaticContact CD2-CZ 3.62Å; W89-F91 HydrophobicContact CD2-CZ 3.62Å; W89-F91 AromaticContact CE3-CE2 3.89Å; W89-F91 HydrophobicContact CE3-CE2 3.89Å; W89-F91 HydrophobicContact CE3-CZ 4.17Å; W89-F91 AromaticContact CG-CE1 3.82Å; W89-F91 HydrophobicContact CG-CE1 3.82Å; W89-F91 AromaticContact CG-CE2 3.82Å; W89-F91 HydrophobicContact CG-CE2 3.82Å; W89-F91 AromaticContact CG-CZ 3.36Å; W89-F91 HydrophobicContact CG-CZ 3.36Å; W89-V93 HydrophobicContact CE3-CG2 3.86Å; W89-V93 HydrophobicContact CZ3-CG2 4.09Å
90	P	89.8	Confident	88.5	Confident	26 Å²	26	50.3 Å²	50.3	17%	0.169	29%	0.288	C	S	.	.	S	Bend	trans	-77	-25.1	173.5	30.4	-34.3	0	0	0	112.8	P62 H63 F67 P256	P62-P90 HydrophobicContact CB-CB 3.87Å; P62-P90 HydrophobicContact CB-CG 4.15Å; P62-P90 WeakPolarHBondContact O-CG 3.47Å; H63-P90 PolarHBondContact ND1-O 3.33Å; F67-P90 HydrophobicContact CE1-CG 3.91Å; F67-P90 HydrophobicContact CZ-CG 4.23Å; P90-P256 HydrophobicContact CB-CB 4.2Å
91	F	93.6	Very high	89	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.035	26%	0.263	C	S	.	.	S	Bend	trans	-81.5	155.2	178.5	54.8	-97.9	0	0	0	111.4	H63 T65 V66 F67 W89 V93 I102	H63-F91 WeakPolarHBondContact O-CA 3.37Å; H63-F91 WeakPolarHBondContact O-CB 3.49Å; T65-F91 WeakPolarHBondContact O-CD1 3.48Å; V66-F91 HydrophobicContact CG1-CE1 4.23Å; V66-F91 HydrophobicContact CG1-CE2 4.25Å; V66-F91 HydrophobicContact CG1-CZ 4.06Å; F67-F91 HydrophobicContact CD1-CD1 4.46Å; F67-F91 AromaticContact CD1-CE1 3.98Å; F67-F91 HydrophobicContact CD1-CE1 3.98Å; F67-F91 HydrophobicContact CE1-CD1 4.25Å; F67-F91 AromaticContact CE1-CE1 3.93Å; F67-F91 HydrophobicContact CE1-CE1 3.93Å; F67-F91 HydrophobicContact CG-CE1 4.39Å; F67-F91 HydrophobicContact CZ-CE1 4.3Å; F67-F91 WeakPolarHBondContact O-CZ 3.37Å; W89-F91 HydrophobicContact CB-CD1 4.16Å; W89-F91 HydrophobicContact CB-CD2 4.18Å; W89-F91 HydrophobicContact CB-CE1 3.82Å; W89-F91 HydrophobicContact CB-CE2 3.84Å; W89-F91 HydrophobicContact CB-CG 4.34Å; W89-F91 HydrophobicContact CB-CZ 3.66Å; W89-F91 AromaticContact CD1-CE1 3.92Å; W89-F91 AromaticContact CD1-CZ 3.66Å; W89-F91 AromaticContact CD2-CE2 3.83Å; W89-F91 HydrophobicContact CD2-CE2 3.83Å; W89-F91 AromaticContact CD2-CZ 3.62Å; W89-F91 HydrophobicContact CD2-CZ 3.62Å; W89-F91 AromaticContact CE3-CE2 3.89Å; W89-F91 HydrophobicContact CE3-CE2 3.89Å; W89-F91 HydrophobicContact CE3-CZ 4.17Å; W89-F91 AromaticContact CG-CE1 3.82Å; W89-F91 HydrophobicContact CG-CE1 3.82Å; W89-F91 AromaticContact CG-CE2 3.82Å; W89-F91 HydrophobicContact CG-CE2 3.82Å; W89-F91 AromaticContact CG-CZ 3.36Å; W89-F91 HydrophobicContact CG-CZ 3.36Å; F91-V93 HydrophobicContact CD2-CG2 4.01Å; F91-V93 HydrophobicContact CE2-CG2 3.86Å; F91-I102 HydrophobicContact CB-CG2 4.44Å; F91-I102 HydrophobicContact CD2-CG2 3.73Å; F91-I102 HydrophobicContact CE2-CG1 4.37Å; F91-I102 HydrophobicContact CE2-CG2 4.35Å; F91-I102 HydrophobicContact CG-CG2 4.31Å
92	K	94.3	Very high	89.7	Confident	117 Å²	117	46.6 Å²	46.6	51%	0.509	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.6	-175.2	-173.1	-177.9	176.7	-158.7	0	110.7	I94 Q103	K92-I94 HydrophobicContact CD-CG2 4.17Å; K92-I94 HydrophobicContact CG-CG2 4.1Å; K92-Q103 HydrophobicContact CB-CB 4.4Å; K92-Q103 PolarHBondContact O-N 3.24Å
93	V	95.5	Very high	90.1	Very high	8 Å²	8	49 Å²	49	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.1	169.5	-174.3	0	0	0	0	108.9	L72 Y77 M86 W89 F91 P100 K101 I102	L72-V93 HydrophobicContact CD1-CG2 4.22Å; Y77-V93 HydrophobicContact CD2-CG1 4.22Å; Y77-V93 HydrophobicContact CE2-CG1 4.18Å; M86-V93 HydrophobicContact CE-CB 3.94Å; M86-V93 WeakPolarHBondContact CE-O 3.37Å; M86-V93 HydrophobicContact CG-CB 4.21Å; M86-V93 HydrophobicContact CG-CG2 4.36Å; M86-V93 HydrophobicContact SD-CB 4.02Å; M86-V93 HydrophobicContact SD-CG1 4.26Å; W89-V93 HydrophobicContact CE3-CG2 3.86Å; W89-V93 HydrophobicContact CZ3-CG2 4.09Å; F91-V93 HydrophobicContact CD2-CG2 4.01Å; F91-V93 HydrophobicContact CE2-CG2 3.86Å; V93-P100 HydrophobicContact CG1-CB 3.73Å; V93-K101 CarbonylContact C-O 3.54Å; V93-K101 WeakPolarHBondContact CA-O 3.46Å; V93-I102 HydrophobicContact CG2-CG1 4.41Å
94	I	94.8	Very high	90.3	Very high	32 Å²	32	45.6 Å²	45.6	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	159.5	-180	62.8	169.4	0	0	0	110.9	Y77 K92 P100 K101 Q103 M112	Y77-I94 WeakPolarHBondContact CD2-O 3.15Å; Y77-I94 VanDerWaalsContact CE2-C 3.4Å; K92-I94 HydrophobicContact CD-CG2 4.17Å; K92-I94 HydrophobicContact CG-CG2 4.1Å; I94-P100 WeakPolarHBondContact O-CA 3.46Å; I94-K101 HydrophobicContact CG1-CB 4.02Å; I94-K101 WeakPolarHBondContact CG1-O 3.39Å; I94-K101 PolarHBondContact N-O 3.02Å; I94-K101 PolarHBondContact O-N 3.5Å; I94-Q103 HydrophobicContact CG2-CB 4.48Å; I94-M112 HydrophobicContact CD1-CG 4.05Å; I94-M112 HydrophobicContact CD1-SD 3.41Å; I94-M112 WeakPolarHBondContact CD1-SD 3.47Å
95	S	93.6	Very high	90.6	Very high	61 Å²	61	47.5 Å²	47.5	43%	0.427	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123	172.6	-162.6	0	0	0	0	110	G98 K99	S95-G98 WeakPolarHBondContact OG-CA 3.2Å; S95-G98 PolarHBondContact OG-N 2.86Å; S95-K99 WeakPolarHBondContact CA-O 3.48Å
96	D	87.5	Confident	90.9	Very high	78 Å²	78	46.9 Å²	46.9	42%	0.417	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	102.3	169.7	-177.5	23.6	0	0	0	108.7	G98 K99 K101	D96-G98 PolarHBondContact O-N 2.79Å; D96-G98 VanDerWaalsContact O-N 3.16Å; D96-K99 PolarHBondContact N-O 3.3Å; D96-K99 WeakPolarHBondContact O-CB 3.39Å; D96-K99 PolarHBondContact O-N 2.88Å; D96-K101 HydrophobicContact CB-CD 3.83Å; D96-K101 HydrophobicContact CB-CG 4.21Å; D96-K101 WeakPolarHBondContact OD2-CE 3.46Å; D96-K101 IonicContact OD2-NZ 3.43Å; D96-K101 PolarHBondContact OD2-NZ 3.23Å
97	G	83.3	Confident	90.7	Very high	79 Å²	79	48.8 Å²	48.8	81%	0.814	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	25.5	-173.8	0	0	0	0	0	114.3
98	G	82.8	Confident	90.6	Very high	15 Å²	15	43.6 Å²	43.6	16%	0.155	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-5.4	-173.9	0	0	0	0	0	114.6	Y77 S95 D96	Y77-G98 WeakPolarHBondContact CB-O 3.4Å; Y77-G98 PolarHBondContact N-O 2.91Å; S95-G98 WeakPolarHBondContact OG-CA 3.2Å; S95-G98 PolarHBondContact OG-N 2.86Å; D96-G98 PolarHBondContact O-N 2.79Å; D96-G98 VanDerWaalsContact O-N 3.16Å
99	K	84.9	Confident	90.9	Very high	58 Å²	58	45.7 Å²	45.7	25%	0.252	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.2	173.9	-55	-174.2	-167.9	-170.9	0	110.4	S95 D96 G507 R508	S95-K99 WeakPolarHBondContact CA-O 3.48Å; D96-K99 PolarHBondContact N-O 3.3Å; D96-K99 WeakPolarHBondContact O-CB 3.39Å; D96-K99 PolarHBondContact O-N 2.88Å; K99-G507 WeakPolarHBondContact CD-O 3.29Å; K99-G507 VanDerWaalsContact CE-C 3.49Å; K99-G507 WeakPolarHBondContact CE-O 3.31Å; K99-G507 VanDerWaalsContact NZ-C 3.27Å; K99-G507 PolarHBondContact NZ-O 2.88Å; K99-R508 PolarHBondContact NZ-O 3.34Å
100	P	92.4	Very high	91.2	Very high	6 Å²	6	49 Å²	49	4%	0.039	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.8	173.2	30.3	-30.8	0	0	0	109.9	L72 R75 Y77 V93 I94 P115	L72-P100 HydrophobicContact CD2-CB 4.13Å; L72-P100 HydrophobicContact CD2-CG 4.34Å; R75-P100 WeakPolarHBondContact O-CD 3.48Å; Y77-P100 HydrophobicContact CD2-CB 4.34Å; V93-P100 HydrophobicContact CG1-CB 3.73Å; I94-P100 WeakPolarHBondContact O-CA 3.46Å; P100-P115 HydrophobicContact CG-CG 4.35Å; P100-P115 WeakPolarHBondContact O-CD 3.48Å
101	K	94.5	Very high	91.3	Very high	39 Å²	39	49.9 Å²	49.9	17%	0.17	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	167.4	-74.9	-171.8	172.9	174.9	0	110	V93 I94 D96 M112 F113 T114	V93-K101 CarbonylContact C-O 3.54Å; V93-K101 WeakPolarHBondContact CA-O 3.46Å; I94-K101 HydrophobicContact CG1-CB 4.02Å; I94-K101 WeakPolarHBondContact CG1-O 3.39Å; I94-K101 PolarHBondContact N-O 3.02Å; I94-K101 PolarHBondContact O-N 3.5Å; D96-K101 HydrophobicContact CB-CD 3.83Å; D96-K101 HydrophobicContact CB-CG 4.21Å; D96-K101 WeakPolarHBondContact OD2-CE 3.46Å; D96-K101 IonicContact OD2-NZ 3.43Å; D96-K101 PolarHBondContact OD2-NZ 3.23Å; K101-M112 HydrophobicContact CD-CB 4.3Å; K101-F113 CarbonylContact C-O 3.51Å; K101-F113 WeakPolarHBondContact CA-O 3.42Å; K101-T114 HydrophobicContact CD-CG2 4.44Å; K101-T114 HydrophobicContact CG-CG2 4.16Å
102	I	96.5	Very high	91.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.3	175.3	-55.3	99.7	0	0	0	108.6	V66 L72 F91 V93 V104 M112 F113 P115 V118	V66-I102 HydrophobicContact CG1-CG1 4.32Å; V66-I102 HydrophobicContact CG1-CG2 4.26Å; V66-I102 HydrophobicContact CG2-CG2 3.66Å; L72-I102 HydrophobicContact CD1-CD1 4.02Å; L72-I102 HydrophobicContact CD1-CG1 4.06Å; F91-I102 HydrophobicContact CB-CG2 4.44Å; F91-I102 HydrophobicContact CD2-CG2 3.73Å; F91-I102 HydrophobicContact CE2-CG1 4.37Å; F91-I102 HydrophobicContact CE2-CG2 4.35Å; F91-I102 HydrophobicContact CG-CG2 4.31Å; V93-I102 HydrophobicContact CG2-CG1 4.41Å; I102-V104 HydrophobicContact CG2-CG1 4.06Å; I102-M112 CarbonylContact O-C 3.56Å; I102-M112 WeakPolarHBondContact O-CA 3.48Å; I102-F113 PolarHBondContact N-O 3.45Å; I102-F113 PolarHBondContact O-N 2.87Å; I102-P115 HydrophobicContact CD1-CG 4.11Å; I102-V118 HydrophobicContact CD1-CG2 4.19Å
103	Q	96.8	Very high	91.3	Very high	50 Å²	50	49 Å²	49	23%	0.234	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.6	177	-173.4	-169.8	-37.1	0	0	109.3	K92 I94 T110 K111 M112	K92-Q103 HydrophobicContact CB-CB 4.4Å; K92-Q103 PolarHBondContact O-N 3.24Å; I94-Q103 HydrophobicContact CG2-CB 4.48Å; Q103-T110 HydrophobicContact CG-CG2 3.54Å; Q103-T110 VanDerWaalsContact NE2-CG2 3.32Å; Q103-K111 WeakPolarHBondContact CA-O 3.42Å; Q103-M112 HydrophobicContact CG-CG 4.5Å
104	V	95.4	Very high	91.2	Very high	4 Å²	4	49 Å²	49	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.1	178.4	-60.4	0	0	0	0	110.5	F43 N64 V66 I102 K111 F113	F43-V104 HydrophobicContact CB-CG2 4.26Å; F43-V104 HydrophobicContact CD1-CG2 4.22Å; F43-V104 HydrophobicContact CD2-CB 4.1Å; F43-V104 HydrophobicContact CD2-CG1 3.94Å; F43-V104 HydrophobicContact CD2-CG2 3.75Å; F43-V104 HydrophobicContact CE2-CG1 4.24Å; F43-V104 HydrophobicContact CE2-CG2 4.12Å; F43-V104 HydrophobicContact CG-CB 4.4Å; F43-V104 HydrophobicContact CG-CG2 3.82Å; N64-V104 HydrophobicContact CB-CB 4.32Å; V66-V104 HydrophobicContact CG2-CG1 3.98Å; I102-V104 HydrophobicContact CG2-CG1 4.06Å; V104-K111 PolarHBondContact N-O 2.89Å; V104-K111 PolarHBondContact O-N 2.89Å; V104-F113 HydrophobicContact CG2-CD2 3.72Å; V104-F113 HydrophobicContact CG2-CE2 3.53Å
105	E	94.3	Very high	91.2	Very high	94 Å²	94	47.6 Å²	47.6	44%	0.439	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126	165.5	-168.4	173.3	-177.1	0	0	109	N64 E109	N64-E105 PolarHBondContact OD1-N 3.07Å; E105-E109 WeakPolarHBondContact CA-O 3.34Å
106	Y	91.4	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	120.9	179	-177.9	-130.6	0	0	0	109.2	F43 T44 E47 R48 G108 E109 K111	F43-Y106 HydrophobicContact CB-CD2 3.87Å; F43-Y106 HydrophobicContact CB-CG 4.23Å; F43-Y106 HydrophobicContact CD1-CD1 4.45Å; F43-Y106 HydrophobicContact CD1-CD2 4.11Å; F43-Y106 HydrophobicContact CD1-CG 4.01Å; T44-Y106 WeakPolarHBondContact O-CD2 3.46Å; T44-Y106 WeakPolarHBondContact O-CE2 3.34Å; E47-Y106 WeakPolarHBondContact O-CE2 3.2Å; R48-Y106 HydrophobicContact CG-CD2 4.41Å; R48-Y106 HydrophobicContact CG-CE1 4.24Å; R48-Y106 HydrophobicContact CG-CE2 3.8Å; R48-Y106 PolarHBondContact NH1-OH 3.45Å; Y106-G108 VanDerWaalsContact C-N 3.27Å; Y106-G108 PolarHBondContact O-N 3.01Å; Y106-E109 PolarHBondContact N-O 3.24Å; Y106-E109 PolarHBondContact O-N 3.2Å; Y106-E109 VanDerWaalsContact O-N 3.08Å; Y106-K111 HydrophobicContact CD1-CD 4.07Å
107	K	86.5	Confident	91.4	Very high	87 Å²	87	42.9 Å²	42.9	38%	0.378	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	40.5	-175.4	-60.1	179.1	171.6	174.7	0	113.2	T44 D45 E109 E527	T44-K107 PolarHBondContact O-N 2.97Å; D45-K107 WeakPolarHBondContact O-CG 3.36Å; K107-E109 PolarHBondContact O-N 3.22Å; K107-E527 IonicContact NZ-OE2 2.78Å; K107-E527 PolarHBondContact NZ-OE2 2.8Å
108	G	82.9	Confident	92	Very high	54 Å²	54	39.2 Å²	39.2	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	2.3	-177.8	0	0	0	0	0	115.3	Y106	Y106-G108 VanDerWaalsContact C-N 3.27Å; Y106-G108 PolarHBondContact O-N 3.01Å
109	E	89.8	Confident	92.6	Very high	119 Å²	119	38.8 Å²	38.8	56%	0.556	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106	140.6	176	-65	-177.3	167.1	0	0	110.8	E105 Y106 K107 K111	E105-E109 WeakPolarHBondContact CA-O 3.34Å; Y106-E109 PolarHBondContact N-O 3.24Å; Y106-E109 PolarHBondContact O-N 3.2Å; Y106-E109 VanDerWaalsContact O-N 3.08Å; K107-E109 PolarHBondContact O-N 3.22Å; E109-K111 PolarHBondContact O-N 2.95Å
110	T	93.9	Very high	93.1	Very high	95 Å²	95	36.1 Å²	36.1	58%	0.583	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	115.8	168.3	-64.9	0	0	0	0	109.4	Q103	Q103-T110 HydrophobicContact CG-CG2 3.54Å; Q103-T110 VanDerWaalsContact NE2-CG2 3.32Å
111	K	92.8	Very high	93.2	Very high	43 Å²	43	36.9 Å²	36.9	19%	0.187	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.6	175	-64.3	-159.3	179.3	-173.5	0	111.6	Q103 V104 Y106 E109 F113 Y524	Q103-K111 WeakPolarHBondContact CA-O 3.42Å; V104-K111 PolarHBondContact N-O 2.89Å; V104-K111 PolarHBondContact O-N 2.89Å; Y106-K111 HydrophobicContact CD1-CD 4.07Å; E109-K111 PolarHBondContact O-N 2.95Å; K111-F113 HydrophobicContact CB-CE2 3.76Å; K111-F113 HydrophobicContact CB-CZ 4.07Å; K111-F113 HydrophobicContact CD-CZ 4.18Å; K111-Y524 PolarHBondContact NZ-OH 3.02Å
112	M	93.8	Very high	93.3	Very high	104 Å²	104	35.2 Å²	35.2	51%	0.512	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.6	179.6	-62.2	177.2	-71.1	0	0	108.7	I94 K101 I102 Q103	I94-M112 HydrophobicContact CD1-CG 4.05Å; I94-M112 HydrophobicContact CD1-SD 3.41Å; I94-M112 WeakPolarHBondContact CD1-SD 3.47Å; K101-M112 HydrophobicContact CD-CB 4.3Å; I102-M112 CarbonylContact O-C 3.56Å; I102-M112 WeakPolarHBondContact O-CA 3.48Å; Q103-M112 HydrophobicContact CG-CG 4.5Å
113	F	94.3	Very high	93.4	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.8	178.5	-63.3	-78.3	0	0	0	110.3	F43 K101 I102 V104 K111 E117 V118 M121 Y524	F43-F113 AromaticContact CD1-CE2 3.92Å; F43-F113 HydrophobicContact CD1-CE2 3.92Å; F43-F113 HydrophobicContact CD1-CZ 4.26Å; F43-F113 AromaticContact CE1-CD2 3.96Å; F43-F113 HydrophobicContact CE1-CD2 3.96Å; F43-F113 HydrophobicContact CE1-CE1 4.33Å; F43-F113 AromaticContact CE1-CE2 3.34Å; F43-F113 HydrophobicContact CE1-CE2 3.34Å; F43-F113 AromaticContact CE1-CZ 3.56Å; F43-F113 HydrophobicContact CE1-CZ 3.56Å; F43-F113 HydrophobicContact CE2-CD2 4.33Å; F43-F113 HydrophobicContact CE2-CE2 4.38Å; F43-F113 AromaticContact CZ-CD2 3.72Å; F43-F113 HydrophobicContact CZ-CD2 3.72Å; F43-F113 AromaticContact CZ-CE2 3.62Å; F43-F113 HydrophobicContact CZ-CE2 3.62Å; F43-F113 HydrophobicContact CZ-CG 4.32Å; F43-F113 HydrophobicContact CZ-CZ 4.13Å; K101-F113 CarbonylContact C-O 3.51Å; K101-F113 WeakPolarHBondContact CA-O 3.42Å; I102-F113 PolarHBondContact N-O 3.45Å; I102-F113 PolarHBondContact O-N 2.87Å; V104-F113 HydrophobicContact CG2-CD2 3.72Å; V104-F113 HydrophobicContact CG2-CE2 3.53Å; K111-F113 HydrophobicContact CB-CE2 3.76Å; K111-F113 HydrophobicContact CB-CZ 4.07Å; K111-F113 HydrophobicContact CD-CZ 4.18Å; F113-E117 HydrophobicContact CB-CB 4.47Å; F113-E117 HydrophobicContact CD1-CB 4.35Å; F113-V118 HydrophobicContact CB-CG2 3.95Å; F113-M121 HydrophobicContact CD1-CE 3.75Å; F113-M121 HydrophobicContact CE1-CE 3.67Å; F113-M121 HydrophobicContact CG-CE 4.46Å; F113-M121 HydrophobicContact CZ-CE 4.34Å; F113-Y524 AromaticContact CE1-CE2 3.89Å; F113-Y524 HydrophobicContact CE1-CE2 3.89Å; F113-Y524 HydrophobicContact CZ-CE2 4.48Å
114	T	93	Very high	93.3	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.043	19%	0.185	C	C	.	.			trans	-75	154.8	167.3	59.1	0	0	0	0	110.6	K101 E116 E117 V118 L509 M517	K101-T114 HydrophobicContact CD-CG2 4.44Å; K101-T114 HydrophobicContact CG-CG2 4.16Å; T114-E116 WeakPolarHBondContact CB-OE2 3.25Å; T114-E116 PolarHBondContact O-N 3.25Å; T114-E117 WeakPolarHBondContact CB-OE2 3.43Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.17Å; T114-E117 PolarHBondContact N-OE2 2.87Å; T114-E117 PolarHBondContact O-N 2.94Å; T114-E117 VanDerWaalsContact O-N 3.14Å; T114-E117 VanDerWaalsContact OG1-CG 3.27Å; T114-E117 WeakPolarHBondContact OG1-CG 3.4Å; T114-E117 PolarHBondContact OG1-N 3.01Å; T114-E117 PolarHBondContact OG1-OE2 3.49Å; T114-V118 PolarHBondContact O-N 3.1Å; T114-V118 VanDerWaalsContact O-N 3.15Å; T114-L509 HydrophobicContact CG2-CD2 4.3Å; T114-M517 HydrophobicContact CG2-CE 3.94Å
115	P	93.9	Very high	93.3	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-54.4	-33.7	172.7	-26.5	35.3	0	0	0	113.2	L72 I73 P100 I102 V118 S119	L72-P115 HydrophobicContact CB-CB 3.79Å; L72-P115 HydrophobicContact CB-CG 3.46Å; L72-P115 VanDerWaalsContact CB-CG 3.46Å; L72-P115 HydrophobicContact CD1-CG 4.39Å; I73-P115 HydrophobicContact CB-CB 4.48Å; P100-P115 HydrophobicContact CG-CG 4.35Å; P100-P115 WeakPolarHBondContact O-CD 3.48Å; I102-P115 HydrophobicContact CD1-CG 4.11Å; P115-V118 PolarHBondContact O-N 3.13Å; P115-S119 VanDerWaalsContact O-CB 3.31Å; P115-S119 WeakPolarHBondContact O-CB 3.33Å; P115-S119 PolarHBondContact O-N 2.87Å; P115-S119 PolarHBondContact O-OG 3.06Å
116	E	93.1	Very high	93.4	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.117	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-43.7	176.7	-64.3	78.3	-175.5	0	0	111.5	I73 G74 T114 S119 A120 A156 A160 I163 L509	I73-E116 HydrophobicContact CG1-CG 4.18Å; G74-E116 PolarHBondContact N-OE1 2.78Å; T114-E116 WeakPolarHBondContact CB-OE2 3.25Å; T114-E116 PolarHBondContact O-N 3.25Å; E116-S119 PolarHBondContact O-N 3.33Å; E116-A120 VanDerWaalsContact O-CB 3.29Å; E116-A120 WeakPolarHBondContact O-CB 3.37Å; E116-A120 PolarHBondContact O-N 2.82Å; E116-A156 HydrophobicContact CG-CB 3.9Å; E116-A156 VanDerWaalsContact OE1-CB 3.31Å; E116-A156 WeakPolarHBondContact OE1-CB 3.43Å; E116-A160 HydrophobicContact CB-CB 4.36Å; E116-A160 WeakPolarHBondContact O-CB 3.14Å; E116-I163 HydrophobicContact CB-CD1 4.29Å; E116-L509 HydrophobicContact CB-CD1 4.17Å; E116-L509 HydrophobicContact CG-CD1 4.41Å
117	E	92.9	Very high	93.6	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-43.6	174.9	-73.9	166.2	99.5	0	0	112.1	F113 T114 S119 A120 M121 M517	F113-E117 HydrophobicContact CB-CB 4.47Å; F113-E117 HydrophobicContact CD1-CB 4.35Å; T114-E117 WeakPolarHBondContact CB-OE2 3.43Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.17Å; T114-E117 PolarHBondContact N-OE2 2.87Å; T114-E117 PolarHBondContact O-N 2.94Å; T114-E117 VanDerWaalsContact O-N 3.14Å; T114-E117 VanDerWaalsContact OG1-CG 3.27Å; T114-E117 WeakPolarHBondContact OG1-CG 3.4Å; T114-E117 PolarHBondContact OG1-N 3.01Å; T114-E117 PolarHBondContact OG1-OE2 3.49Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3Å; E117-A120 WeakPolarHBondContact O-CB 3.01Å; E117-A120 PolarHBondContact O-N 3.38Å; E117-M121 WeakPolarHBondContact O-CG 3.41Å; E117-M121 PolarHBondContact O-N 3.33Å; E117-M517 HydrophobicContact CG-CB 4.48Å; E117-M517 HydrophobicContact CG-CE 4.13Å; E117-M517 HydrophobicContact CG-CG 4.02Å; E117-M517 HydrophobicContact CG-SD 3.69Å; E117-M517 WeakPolarHBondContact OE2-CE 3.44Å
118	V	95.6	Very high	93.9	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-41.9	176.7	178.4	0	0	0	0	110.7	V41 V66 A69 I102 F113 T114 P115 A120 M121 V122	V41-V118 HydrophobicContact CB-CG1 4.18Å; V41-V118 HydrophobicContact CG2-CG1 3.86Å; V66-V118 HydrophobicContact CB-CG1 4.26Å; V66-V118 HydrophobicContact CG1-CG1 3.95Å; V66-V118 HydrophobicContact CG1-CG2 4.43Å; A69-V118 HydrophobicContact CB-CB 4.09Å; A69-V118 HydrophobicContact CB-CG1 3.7Å; I102-V118 HydrophobicContact CD1-CG2 4.19Å; F113-V118 HydrophobicContact CB-CG2 3.95Å; T114-V118 PolarHBondContact O-N 3.1Å; T114-V118 VanDerWaalsContact O-N 3.15Å; P115-V118 PolarHBondContact O-N 3.13Å; V118-A120 VanDerWaalsContact C-N 3.32Å; V118-A120 PolarHBondContact O-N 3.42Å; V118-M121 WeakPolarHBondContact O-CB 3.48Å; V118-M121 PolarHBondContact O-N 2.94Å; V118-V122 PolarHBondContact O-N 3.21Å
119	S	95.9	Very high	94.5	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.035	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-37.4	175.9	-58.7	0	0	0	0	111.5	P115 E116 E117 M121 V122 L123	P115-S119 VanDerWaalsContact O-CB 3.31Å; P115-S119 WeakPolarHBondContact O-CB 3.33Å; P115-S119 PolarHBondContact O-N 2.87Å; P115-S119 PolarHBondContact O-OG 3.06Å; E116-S119 PolarHBondContact O-N 3.33Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3Å; S119-M121 VanDerWaalsContact C-N 3.33Å; S119-M121 PolarHBondContact O-N 2.63Å; S119-V122 PolarHBondContact O-N 3.24Å; S119-L123 WeakPolarHBondContact O-CG 3.42Å; S119-L123 PolarHBondContact O-N 2.89Å
120	A	95.1	Very high	94.8	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	13%	0.127	C	C	.	.	H	α-helix	trans	-62.6	-38.2	174.7	0	0	0	0	0	111.8	E116 E117 V118 V122 L123 V124 A160 I163 S164	E116-A120 VanDerWaalsContact O-CB 3.29Å; E116-A120 WeakPolarHBondContact O-CB 3.37Å; E116-A120 PolarHBondContact O-N 2.82Å; E117-A120 WeakPolarHBondContact O-CB 3.01Å; E117-A120 PolarHBondContact O-N 3.38Å; V118-A120 VanDerWaalsContact C-N 3.32Å; V118-A120 PolarHBondContact O-N 3.42Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 2.94Å; A120-L123 CarbonylContact O-C 3.54Å; A120-L123 WeakPolarHBondContact O-CB 3.33Å; A120-L123 PolarHBondContact O-N 3Å; A120-V124 WeakPolarHBondContact O-CG2 3.44Å; A120-V124 PolarHBondContact O-N 3.46Å; A120-A160 HydrophobicContact CB-CB 4.45Å; A120-A160 VanDerWaalsContact CB-O 3.27Å; A120-A160 WeakPolarHBondContact CB-O 3.23Å; A120-I163 HydrophobicContact CB-CB 3.71Å; A120-I163 HydrophobicContact CB-CG2 3.53Å; A120-S164 WeakPolarHBondContact O-CB 3.41Å
121	M	95.6	Very high	94.9	Very high	21 Å²	21	22.3 Å²	22.3	10%	0.103	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-42.1	174.2	-65.5	170.9	-166.3	0	0	111.5	V41 F43 I50 F113 E117 V118 S119 V124 K125	V41-M121 HydrophobicContact CG1-SD 3.68Å; V41-M121 HydrophobicContact CG2-CB 4.1Å; F43-M121 HydrophobicContact CE1-CE 4.14Å; F43-M121 HydrophobicContact CE1-SD 4.15Å; F43-M121 HydrophobicContact CZ-CE 4.11Å; F43-M121 HydrophobicContact CZ-SD 3.87Å; I50-M121 HydrophobicContact CD1-CB 4.04Å; F113-M121 HydrophobicContact CD1-CE 3.75Å; F113-M121 HydrophobicContact CE1-CE 3.67Å; F113-M121 HydrophobicContact CG-CE 4.46Å; F113-M121 HydrophobicContact CZ-CE 4.34Å; E117-M121 WeakPolarHBondContact O-CG 3.41Å; E117-M121 PolarHBondContact O-N 3.33Å; V118-M121 WeakPolarHBondContact O-CB 3.48Å; V118-M121 PolarHBondContact O-N 2.94Å; S119-M121 VanDerWaalsContact C-N 3.33Å; S119-M121 PolarHBondContact O-N 2.63Å; M121-V124 PolarHBondContact O-N 3.24Å; M121-K125 PolarHBondContact O-N 3.07Å; M121-K125 VanDerWaalsContact O-N 3.14Å
122	V	96.7	Very high	94.9	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-42.2	174.2	-179.6	0	0	0	0	111	L10 S15 V41 V118 S119 A120 V124 K125 M126	L10-V122 HydrophobicContact CD1-CB 4.27Å; L10-V122 HydrophobicContact CD1-CG1 4.01Å; S15-V122 WeakPolarHBondContact OG-CG1 3.4Å; V41-V122 HydrophobicContact CG2-CG2 3.89Å; V118-V122 PolarHBondContact O-N 3.21Å; S119-V122 PolarHBondContact O-N 3.24Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 2.94Å; V122-V124 PolarHBondContact O-N 2.88Å; V122-K125 WeakPolarHBondContact O-CB 3.34Å; V122-K125 PolarHBondContact O-N 2.94Å; V122-M126 WeakPolarHBondContact O-CG 3.37Å; V122-M126 PolarHBondContact O-N 3Å
123	L	97.1	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-37	176.1	-69.5	173.1	0	0	0	112.8	I8 L10 S119 A120 K125 M126 K127 I143 A160	I8-L123 HydrophobicContact CD1-CD2 4.25Å; I8-L123 HydrophobicContact CG2-CD2 3.81Å; L10-L123 HydrophobicContact CB-CD2 4.38Å; L10-L123 HydrophobicContact CD1-CD2 4.02Å; L10-L123 HydrophobicContact CD1-CG 4.16Å; L10-L123 HydrophobicContact CD2-CD1 4.36Å; L10-L123 HydrophobicContact CD2-CD2 4.33Å; L10-L123 HydrophobicContact CD2-CG 4.38Å; L10-L123 HydrophobicContact CG-CD2 4.48Å; S119-L123 WeakPolarHBondContact O-CG 3.42Å; S119-L123 PolarHBondContact O-N 2.89Å; A120-L123 CarbonylContact O-C 3.54Å; A120-L123 WeakPolarHBondContact O-CB 3.33Å; A120-L123 PolarHBondContact O-N 3Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 3.18Å; L123-M126 PolarHBondContact O-N 3.31Å; L123-K127 WeakPolarHBondContact O-CB 3.31Å; L123-K127 PolarHBondContact O-N 3.21Å; L123-I143 HydrophobicContact CD1-CD1 3.98Å; L123-I143 HydrophobicContact CD2-CD1 4.13Å; L123-A160 HydrophobicContact CD1-CB 4.16Å
124	V	94.5	Very high	94.8	Very high	29 Å²	29	26 Å²	26	18%	0.176	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-46	171.9	169.9	0	0	0	0	109.9	A120 M121 V122 M126 K127 E128	A120-V124 WeakPolarHBondContact O-CG2 3.44Å; A120-V124 PolarHBondContact O-N 3.46Å; M121-V124 PolarHBondContact O-N 3.24Å; V122-V124 PolarHBondContact O-N 2.88Å; V124-M126 VanDerWaalsContact C-N 3.3Å; V124-M126 PolarHBondContact O-N 3.21Å; V124-K127 WeakPolarHBondContact O-CB 3.38Å; V124-K127 PolarHBondContact O-N 3.42Å; V124-E128 HydrophobicContact CG1-CG 4.31Å; V124-E128 WeakPolarHBondContact O-CG 3.43Å; V124-E128 PolarHBondContact O-N 3.44Å
125	K	95.3	Very high	94.6	Very high	31 Å²	31	29 Å²	29	14%	0.135	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-36.9	176.4	-174.4	62	175.9	-178.2	0	112.5	D31 T37 I50 M121 V122 L123 T129	D31-K125 VanDerWaalsContact CG-NZ 3.32Å; D31-K125 IonicContact OD1-NZ 3.5Å; D31-K125 PolarHBondContact OD1-NZ 2.96Å; D31-K125 IonicContact OD2-NZ 2.96Å; D31-K125 PolarHBondContact OD2-NZ 2.9Å; T37-K125 HydrophobicContact CG2-CG 4.45Å; I50-K125 HydrophobicContact CB-CB 4.38Å; I50-K125 HydrophobicContact CB-CG 4.49Å; I50-K125 HydrophobicContact CG2-CB 3.72Å; I50-K125 HydrophobicContact CG2-CG 4.04Å; M121-K125 PolarHBondContact O-N 3.07Å; M121-K125 VanDerWaalsContact O-N 3.14Å; V122-K125 WeakPolarHBondContact O-CB 3.34Å; V122-K125 PolarHBondContact O-N 2.94Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 3.18Å; K125-T129 WeakPolarHBondContact O-CB 3.45Å; K125-T129 PolarHBondContact O-N 2.88Å; K125-T129 PolarHBondContact O-OG1 3.49Å
126	M	97.2	Very high	94.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-41.2	176	-65.2	-56.7	91.3	0	0	111.6	I8 V17 T37 V122 L123 V124 T129 A130	I8-M126 HydrophobicContact CD1-CB 4.14Å; I8-M126 HydrophobicContact CG1-CB 4.47Å; I8-M126 HydrophobicContact CG2-CB 4.2Å; I8-M126 HydrophobicContact CG2-CG 4.02Å; V17-M126 HydrophobicContact CB-CB 4.31Å; V17-M126 HydrophobicContact CB-SD 4.32Å; V17-M126 HydrophobicContact CG1-SD 4.15Å; T37-M126 VanDerWaalsContact CB-CE 3.43Å; T37-M126 HydrophobicContact CG2-CE 3.69Å; T37-M126 WeakPolarHBondContact OG1-CE 3.36Å; V122-M126 WeakPolarHBondContact O-CG 3.37Å; V122-M126 PolarHBondContact O-N 3Å; L123-M126 PolarHBondContact O-N 3.31Å; V124-M126 VanDerWaalsContact C-N 3.3Å; V124-M126 PolarHBondContact O-N 3.21Å; M126-T129 PolarHBondContact O-N 2.9Å; M126-A130 PolarHBondContact O-N 2.91Å
127	K	95.1	Very high	94.2	Very high	31 Å²	31	37.9 Å²	37.9	14%	0.135	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-51.9	173.7	175.6	-178	171.8	173.6	0	111.2	L123 V124 T129 A130 E131 V138 G165 L166	L123-K127 WeakPolarHBondContact O-CB 3.31Å; L123-K127 PolarHBondContact O-N 3.21Å; V124-K127 WeakPolarHBondContact O-CB 3.38Å; V124-K127 PolarHBondContact O-N 3.42Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-T129 PolarHBondContact O-N 3.26Å; K127-A130 CarbonylContact O-C 3.48Å; K127-A130 PolarHBondContact O-N 2.9Å; K127-A130 VanDerWaalsContact O-N 3.08Å; K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.26Å; K127-E131 WeakPolarHBondContact O-CG 3.34Å; K127-E131 PolarHBondContact O-N 3.24Å; K127-V138 WeakPolarHBondContact CE-O 3.45Å; K127-V138 HydrophobicContact CG-CB 4.39Å; K127-G165 PolarHBondContact NZ-O 3.17Å; K127-L166 HydrophobicContact CB-CD2 4.31Å; K127-L166 HydrophobicContact CD-CD2 3.84Å; K127-L166 HydrophobicContact CD-CG 4.21Å; K127-L166 HydrophobicContact CG-CD2 4.1Å
128	E	93.7	Very high	94.3	Very high	79 Å²	79	37.1 Å²	37.1	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-41.6	178.1	-73	174.9	170.1	0	0	112.1	V124 A130 E131 A132	V124-E128 HydrophobicContact CG1-CG 4.31Å; V124-E128 WeakPolarHBondContact O-CG 3.43Å; V124-E128 PolarHBondContact O-N 3.44Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 3.39Å; E128-E131 PolarHBondContact O-N 3.41Å; E128-A132 WeakPolarHBondContact O-CB 3.17Å; E128-A132 PolarHBondContact O-N 3.21Å
129	T	95.8	Very high	94.1	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.086	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-45.2	175.7	-60.6	0	0	0	0	110.9	V17 I28 A29 N30 K125 M126 K127 Y133	V17-T129 HydrophobicContact CG1-CG2 4.16Å; I28-T129 HydrophobicContact CB-CG2 4.5Å; I28-T129 HydrophobicContact CG2-CG2 3.82Å; A29-T129 WeakPolarHBondContact O-CG2 3.36Å; N30-T129 HydrophobicContact CB-CG2 4.35Å; K125-T129 WeakPolarHBondContact O-CB 3.45Å; K125-T129 PolarHBondContact O-N 2.88Å; K125-T129 PolarHBondContact O-OG1 3.49Å; M126-T129 PolarHBondContact O-N 2.9Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-T129 PolarHBondContact O-N 3.26Å; T129-Y133 PolarHBondContact O-N 3.32Å
130	A	95.8	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-40.1	176.2	0	0	0	0	0	112.8	V6 V17 I28 M126 K127 E128 Y133 L134 V138	V6-A130 HydrophobicContact CG1-CB 3.96Å; V17-A130 HydrophobicContact CG2-CB 4.15Å; I28-A130 HydrophobicContact CD1-CB 3.82Å; M126-A130 PolarHBondContact O-N 2.91Å; K127-A130 CarbonylContact O-C 3.48Å; K127-A130 PolarHBondContact O-N 2.9Å; K127-A130 VanDerWaalsContact O-N 3.08Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 3.39Å; A130-Y133 PolarHBondContact O-N 3.38Å; A130-L134 VanDerWaalsContact O-CB 3.27Å; A130-L134 WeakPolarHBondContact O-CB 3.41Å; A130-L134 WeakPolarHBondContact O-CG 3.25Å; A130-L134 PolarHBondContact O-N 3.33Å; A130-V138 HydrophobicContact CB-CG2 4.06Å
131	E	94.9	Very high	94.2	Very high	47 Å²	47	44.4 Å²	44.4	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-41.7	178.2	-71.1	-176.1	155.2	0	0	112	K127 E128 L134 G135 K136 T137 V138	K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.26Å; K127-E131 WeakPolarHBondContact O-CG 3.34Å; K127-E131 PolarHBondContact O-N 3.24Å; E128-E131 PolarHBondContact O-N 3.41Å; E131-L134 PolarHBondContact O-N 3.01Å; E131-G135 WeakPolarHBondContact O-CA 3.41Å; E131-G135 PolarHBondContact O-N 2.96Å; E131-K136 WeakPolarHBondContact CA-O 3.39Å; E131-K136 WeakPolarHBondContact CG-O 3.45Å; E131-K136 PolarHBondContact O-N 3.24Å; E131-T137 VanDerWaalsContact OE1-CA 3.31Å; E131-T137 WeakPolarHBondContact OE1-CA 3.19Å; E131-T137 WeakPolarHBondContact OE1-CG2 3.43Å; E131-V138 HydrophobicContact CG-CB 3.83Å; E131-V138 HydrophobicContact CG-CG2 3.75Å; E131-V138 PolarHBondContact OE1-N 3.04Å
132	A	93.2	Very high	94.2	Very high	86 Å²	86	43.4 Å²	43.4	71%	0.711	24%	0.238	S	C	*	.	H	α-helix	trans	-62.1	-42.1	175.5	0	0	0	0	0	111.8	E128	E128-A132 WeakPolarHBondContact O-CB 3.17Å; E128-A132 PolarHBondContact O-N 3.21Å
133	Y	93.5	Very high	94.2	Very high	117 Å²	117	43.1 Å²	43.1	46%	0.459	24%	0.236	S	C	.	.	H	α-helix	trans	-68	-42.5	176.3	176.3	-98.9	0	0	0	112.7	V19 I28 T129 A130	V19-Y133 HydrophobicContact CG1-CD1 4.42Å; V19-Y133 HydrophobicContact CG1-CE1 4.05Å; I28-Y133 HydrophobicContact CD1-CD1 3.78Å; I28-Y133 HydrophobicContact CD1-CE1 4.49Å; I28-Y133 HydrophobicContact CD1-CG 4.2Å; I28-Y133 HydrophobicContact CG1-CD1 3.97Å; I28-Y133 HydrophobicContact CG1-CE1 4.39Å; I28-Y133 HydrophobicContact CG1-CG 4.21Å; I28-Y133 VanDerWaalsContact CG2-CB 3.49Å; I28-Y133 HydrophobicContact CG2-CD1 4.34Å; I28-Y133 HydrophobicContact CG2-CD2 4.1Å; I28-Y133 HydrophobicContact CG2-CG 3.73Å; T129-Y133 PolarHBondContact O-N 3.32Å; A130-Y133 PolarHBondContact O-N 3.38Å
134	L	92.1	Very high	94.1	Very high	25 Å²	25	43.1 Å²	43.1	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-82.7	-18.5	-175.7	-67	176	0	0	0	113.9	V19 A130 E131 K136 V138	V19-L134 HydrophobicContact CG1-CD2 4.37Å; V19-L134 HydrophobicContact CG2-CD1 4.37Å; V19-L134 HydrophobicContact CG2-CD2 4.36Å; A130-L134 VanDerWaalsContact O-CB 3.27Å; A130-L134 WeakPolarHBondContact O-CB 3.41Å; A130-L134 WeakPolarHBondContact O-CG 3.25Å; A130-L134 PolarHBondContact O-N 3.33Å; E131-L134 PolarHBondContact O-N 3.01Å; L134-K136 PolarHBondContact O-N 2.91Å; L134-V138 HydrophobicContact CD1-CG2 3.68Å
135	G	89.4	Confident	94	Very high	69 Å²	69	41.8 Å²	41.8	71%	0.711	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	22.6	-172.2	0	0	0	0	0	113.6	E131	E131-G135 WeakPolarHBondContact O-CA 3.41Å; E131-G135 PolarHBondContact O-N 2.96Å
136	K	90.2	Very high	93.6	Very high	127 Å²	127	40.3 Å²	40.3	55%	0.552	22%	0.221	S	C	*	.	S	Bend	trans	-148.7	154	-173.7	-61.9	177.3	-170	171.3	0	110.4	E131 L134	E131-K136 WeakPolarHBondContact CA-O 3.39Å; E131-K136 WeakPolarHBondContact CG-O 3.45Å; E131-K136 PolarHBondContact O-N 3.24Å; L134-K136 PolarHBondContact O-N 2.91Å
137	T	89.9	Confident	92.8	Very high	87 Å²	87	40.3 Å²	40.3	53%	0.534	22%	0.221	S	C	.	.			trans	-62.3	134.5	173.5	-49.4	0	0	0	0	111.8	N4 E131 K139	N4-T137 PolarHBondContact ND2-O 3.37Å; E131-T137 VanDerWaalsContact OE1-CA 3.31Å; E131-T137 WeakPolarHBondContact OE1-CA 3.19Å; E131-T137 WeakPolarHBondContact OE1-CG2 3.43Å; T137-K139 HydrophobicContact CG2-CG 4.16Å
138	V	93.6	Very high	91.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.			trans	-105.2	118	175.7	173.1	0	0	0	0	108	V6 K127 A130 E131 L134 L166	V6-V138 HydrophobicContact CB-CG1 4.45Å; V6-V138 HydrophobicContact CG1-CG1 3.93Å; V6-V138 HydrophobicContact CG1-CG2 4.38Å; V6-V138 HydrophobicContact CG2-CG1 3.68Å; K127-V138 WeakPolarHBondContact CE-O 3.45Å; K127-V138 HydrophobicContact CG-CB 4.39Å; A130-V138 HydrophobicContact CB-CG2 4.06Å; E131-V138 HydrophobicContact CG-CB 3.83Å; E131-V138 HydrophobicContact CG-CG2 3.75Å; E131-V138 PolarHBondContact OE1-N 3.04Å; L134-V138 HydrophobicContact CD1-CG2 3.68Å; V138-L166 HydrophobicContact CG1-CD2 4.3Å
139	K	92.1	Very high	91.2	Very high	136 Å²	136	38.3 Å²	38.3	59%	0.591	21%	0.21	S	C	*	.			trans	-110.5	-32.1	-178	-67.5	-172.6	178.2	-175.6	0	113.1	T137 N167	T137-K139 HydrophobicContact CG2-CG 4.16Å; K139-N167 WeakPolarHBondContact O-CB 3.49Å; K139-N167 PolarHBondContact O-N 3.01Å
140	D	95.6	Very high	90.1	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.144	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.7	-169.9	-57.8	-56.5	0	0	0	109.7	S2 A5 V6 N167 L169	S2-D140 PolarHBondContact OG-OD2 2.75Å; S2-D140 VanDerWaalsContact OG-OD2 3.08Å; A5-D140 VanDerWaalsContact CA-O 3.28Å; A5-D140 WeakPolarHBondContact CA-O 3.43Å; A5-D140 HydrophobicContact CB-CB 3.87Å; V6-D140 PolarHBondContact N-O 2.96Å; V6-D140 VanDerWaalsContact N-O 3.15Å; D140-N167 WeakPolarHBondContact CA-O 3.46Å; D140-N167 PolarHBondContact OD1-ND2 2.76Å; D140-L169 HydrophobicContact CB-CD1 3.86Å; D140-L169 HydrophobicContact CB-CD2 4.17Å; D140-L169 HydrophobicContact CB-CG 3.94Å
141	A	96.7	Very high	89	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.9	178.1	0	0	0	0	0	112.4	V6 I8 I143 L166 N167 V168 L169	V6-A141 HydrophobicContact CG2-CB 3.97Å; V6-A141 CarbonylContact O-C 3.56Å; V6-A141 VanDerWaalsContact O-CA 3.27Å; V6-A141 WeakPolarHBondContact O-CA 2.85Å; I8-A141 HydrophobicContact CD1-CB 4.08Å; A141-I143 HydrophobicContact CB-CG1 4.48Å; A141-L166 HydrophobicContact CB-CB 4.47Å; A141-L166 HydrophobicContact CB-CD1 4.04Å; A141-L166 HydrophobicContact CB-CD2 4.21Å; A141-L166 HydrophobicContact CB-CG 4.49Å; A141-N167 PolarHBondContact N-O 3.46Å; A141-V168 CarbonylContact O-C 3.42Å; A141-V168 WeakPolarHBondContact O-CA 3.46Å; A141-L169 PolarHBondContact O-N 3.09Å
142	V	96.6	Very high	88.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.2	160.4	173.2	0	0	0	0	107.4	V6 I8 L169 R170 I172 A372 Q375 A376 L379	V6-V142 PolarHBondContact O-N 3.41Å; I8-V142 PolarHBondContact N-O 3.13Å; V142-L169 HydrophobicContact CG2-CB 4.24Å; V142-R170 WeakPolarHBondContact CA-O 3.38Å; V142-R170 HydrophobicContact CG2-CB 4.33Å; V142-I172 HydrophobicContact CG1-CB 4.18Å; V142-I172 HydrophobicContact CG1-CG2 3.57Å; V142-A372 HydrophobicContact CG1-CB 4.32Å; V142-Q375 HydrophobicContact CG1-CB 4.26Å; V142-Q375 HydrophobicContact CG1-CG 4.18Å; V142-Q375 HydrophobicContact CG2-CB 4.49Å; V142-Q375 HydrophobicContact CG2-CG 4.28Å; V142-A376 HydrophobicContact CB-CB 4.16Å; V142-A376 HydrophobicContact CG2-CB 3.79Å; V142-L379 HydrophobicContact CG2-CD1 3.89Å
143	I	97	Very high	87.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136	-178.4	-56.1	176.2	0	0	0	108.6	I8 L10 L123 A141 T157 V168 R170 I171 I172	I8-I143 WeakPolarHBondContact O-CA 3.48Å; L10-I143 HydrophobicContact CB-CG2 4.12Å; L123-I143 HydrophobicContact CD1-CD1 3.98Å; L123-I143 HydrophobicContact CD2-CD1 4.13Å; A141-I143 HydrophobicContact CB-CG1 4.48Å; I143-T157 HydrophobicContact CG2-CG2 3.84Å; I143-V168 HydrophobicContact CD1-CG1 4.35Å; I143-V168 HydrophobicContact CD1-CG2 3.8Å; I143-V168 HydrophobicContact CG1-CG1 4.46Å; I143-R170 PolarHBondContact N-O 2.82Å; I143-I171 HydrophobicContact CB-CD1 4.04Å; I143-I171 WeakPolarHBondContact O-CA 3.38Å; I143-I172 PolarHBondContact O-N 2.87Å; I143-I172 VanDerWaalsContact O-N 3.09Å
144	T	94.9	Very high	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	152.2	178.6	66.2	0	0	0	0	112.6	I8 D9 I172 A177 V368 A372	I8-T144 PolarHBondContact O-N 2.9Å; D9-T144 VanDerWaalsContact CA-OG1 3.31Å; D9-T144 WeakPolarHBondContact CA-OG1 3.45Å; D9-T144 PolarHBondContact OD1-OG1 3.26Å; T144-I172 CarbonylContact C-O 3.56Å; T144-I172 VanDerWaalsContact CA-O 3.25Å; T144-I172 WeakPolarHBondContact CA-O 3.34Å; T144-I172 HydrophobicContact CG2-CG2 3.72Å; T144-A177 HydrophobicContact CG2-CB 4.26Å; T144-V368 HydrophobicContact CG2-CG1 3.43Å; T144-V368 VanDerWaalsContact CG2-CG1 3.43Å; T144-A372 HydrophobicContact CG2-CB 3.64Å
145	V	91	Very high	86.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.5	171.4	-65.6	0	0	0	0	110.8	F149 R154 T157 I171 I172 N173 E174	V145-F149 HydrophobicContact CB-CD2 3.9Å; V145-F149 HydrophobicContact CB-CG 4.43Å; V145-F149 HydrophobicContact CG1-CD2 4.13Å; V145-R154 HydrophobicContact CG2-CG 4.3Å; V145-T157 HydrophobicContact CG1-CG2 3.73Å; V145-I171 HydrophobicContact CB-CG2 4.17Å; V145-I171 HydrophobicContact CG1-CG2 3.72Å; V145-I171 HydrophobicContact CG2-CG2 3.36Å; V145-I172 PolarHBondContact N-O 3.32Å; V145-N173 CarbonylContact O-C 3.56Å; V145-N173 WeakPolarHBondContact O-CA 3.45Å; V145-E174 VanDerWaalsContact C-CD 3.49Å; V145-E174 VanDerWaalsContact C-OE1 3.3Å; V145-E174 WeakPolarHBondContact O-CG 3.26Å; V145-E174 PolarHBondContact O-N 3.31Å
146	P	86.8	Confident	86.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.			trans	-56.9	142.9	171.8	-27	38.2	0	0	0	110.8	Y148 F149 E174 T203 D205	P146-Y148 PolarHBondContact O-N 2.9Å; P146-F149 HydrophobicContact CB-CD1 3.64Å; P146-F149 HydrophobicContact CB-CE1 3.9Å; P146-F149 HydrophobicContact CB-CG 4.22Å; P146-F149 HydrophobicContact CG-CD1 3.68Å; P146-F149 HydrophobicContact CG-CE1 3.44Å; P146-F149 VanDerWaalsContact CG-CE1 3.44Å; P146-F149 HydrophobicContact CG-CE2 4.33Å; P146-F149 HydrophobicContact CG-CG 4.25Å; P146-F149 HydrophobicContact CG-CZ 3.8Å; P146-F149 WeakPolarHBondContact O-CB 3.39Å; P146-F149 PolarHBondContact O-N 3.09Å; P146-F149 VanDerWaalsContact O-N 3.09Å; P146-E174 WeakPolarHBondContact CD-OE1 3.47Å; P146-T203 HydrophobicContact CB-CG2 4.48Å; P146-T203 HydrophobicContact CG-CG2 3.97Å; P146-D205 WeakPolarHBondContact CB-OD2 3.14Å
147	A	81.9	Confident	86.9	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.5	-176.6	0	0	0	0	0	111.8	F149 R154 N173 P175 D205 T221	A147-F149 VanDerWaalsContact C-N 3.28Å; A147-F149 PolarHBondContact O-N 3.2Å; A147-R154 PolarHBondContact O-NH2 3.39Å; A147-N173 HydrophobicContact CB-CB 4.23Å; A147-P175 HydrophobicContact CB-CG 3.73Å; A147-D205 PolarHBondContact N-OD1 3.43Å; A147-T221 HydrophobicContact CB-CG2 4.39Å; A147-T221 VanDerWaalsContact CB-OG1 3.32Å; A147-T221 WeakPolarHBondContact CB-OG1 3.37Å
148	Y	75	Confident	86.9	Confident	62 Å²	62	19.5 Å²	19.5	24%	0.243	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	2.7	179.2	-145.1	-106.6	0	0	0	115.1	P146 N150 D205 T225 P397 L398	P146-Y148 PolarHBondContact O-N 2.9Å; Y148-N150 PolarHBondContact O-N 3.44Å; Y148-D205 PolarHBondContact N-OD1 3.47Å; Y148-T225 HydrophobicContact CD1-CG2 4.24Å; Y148-P397 HydrophobicContact CD2-CB 4.02Å; Y148-P397 HydrophobicContact CE2-CB 4.36Å; Y148-L398 HydrophobicContact CE2-CD2 4.46Å; Y148-L398 HydrophobicContact CE2-CG 4.47Å
149	F	79.5	Confident	86.7	Confident	6 Å²	6	19.9 Å²	19.9	3%	0.026	9%	0.092	C	C	.	.			trans	-64	131.8	171.7	-89.5	21.7	0	0	0	111.1	K70 I73 V145 P146 A147 Q153 R154	K70-F149 HydrophobicContact CG-CZ 4.09Å; I73-F149 HydrophobicContact CG2-CE2 3.88Å; I73-F149 HydrophobicContact CG2-CZ 4.19Å; V145-F149 HydrophobicContact CB-CD2 3.9Å; V145-F149 HydrophobicContact CB-CG 4.43Å; V145-F149 HydrophobicContact CG1-CD2 4.13Å; P146-F149 HydrophobicContact CB-CD1 3.64Å; P146-F149 HydrophobicContact CB-CE1 3.9Å; P146-F149 HydrophobicContact CB-CG 4.22Å; P146-F149 HydrophobicContact CG-CD1 3.68Å; P146-F149 HydrophobicContact CG-CE1 3.44Å; P146-F149 VanDerWaalsContact CG-CE1 3.44Å; P146-F149 HydrophobicContact CG-CE2 4.33Å; P146-F149 HydrophobicContact CG-CG 4.25Å; P146-F149 HydrophobicContact CG-CZ 3.8Å; P146-F149 WeakPolarHBondContact O-CB 3.39Å; P146-F149 PolarHBondContact O-N 3.09Å; P146-F149 VanDerWaalsContact O-N 3.09Å; A147-F149 VanDerWaalsContact C-N 3.28Å; A147-F149 PolarHBondContact O-N 3.2Å; F149-Q153 HydrophobicContact CB-CB 4.02Å; F149-Q153 HydrophobicContact CD1-CB 4.48Å; F149-Q153 HydrophobicContact CD2-CB 3.46Å; F149-Q153 VanDerWaalsContact CD2-CB 3.46Å; F149-Q153 HydrophobicContact CD2-CG 4.49Å; F149-Q153 HydrophobicContact CE2-CB 3.95Å; F149-Q153 HydrophobicContact CG-CB 3.76Å; F149-R154 HydrophobicContact CB-CG 4.23Å; F149-R154 PolarHBondContact O-NE 3.35Å
150	N	72.4	Confident	86.7	Confident	38 Å²	38	13.4 Å²	13.4	20%	0.203	6%	0.064	C	C	.	.			trans	-79.2	175.8	173.9	69.3	26	0	0	0	112.2	Y148 S152 Q153 R154 E443	Y148-N150 PolarHBondContact O-N 3.44Å; N150-S152 VanDerWaalsContact C-N 3.26Å; N150-S152 PolarHBondContact O-N 3.02Å; N150-S152 VanDerWaalsContact OD1-CB 3.24Å; N150-S152 WeakPolarHBondContact OD1-CB 3.47Å; N150-S152 PolarHBondContact OD1-N 3.48Å; N150-S152 VanDerWaalsContact OD1-N 3.1Å; N150-Q153 PolarHBondContact O-N 3.35Å; N150-Q153 VanDerWaalsContact O-N 3.16Å; N150-Q153 WeakPolarHBondContact OD1-CG 3.3Å; N150-Q153 PolarHBondContact OD1-N 3.46Å; N150-Q153 VanDerWaalsContact OD1-N 3.12Å; N150-R154 WeakPolarHBondContact O-CG 3.47Å; N150-R154 PolarHBondContact O-N 3.45Å; N150-E443 WeakPolarHBondContact CB-OE1 3.38Å; N150-E443 WeakPolarHBondContact CB-OE2 3.47Å
151	D	72.7	Confident	86.6	Confident	14 Å²	14	12.1 Å²	12.1	8%	0.075	6%	0.057	C	C	.	.	H	α-helix	trans	-54.6	-40.6	-178.7	-71.9	-38.6	0	0	0	113.1	Q153 R154 Q155 I502	D151-Q153 PolarHBondContact O-N 2.88Å; D151-R154 PolarHBondContact O-N 3.09Å; D151-Q155 VanDerWaalsContact O-CB 3.32Å; D151-Q155 WeakPolarHBondContact O-CB 3.4Å; D151-Q155 PolarHBondContact O-N 3.34Å; D151-I502 HydrophobicContact CB-CG2 4.38Å
152	S	76.4	Confident	86.3	Confident	14 Å²	14	14.8 Å²	14.8	10%	0.098	7%	0.074	C	C	.	.	H	α-helix	trans	-60.1	-46.2	-179.9	-163.9	0	0	0	0	111.3	G74 N150 A156 N504	G74-S152 PolarHBondContact O-OG 2.88Å; N150-S152 VanDerWaalsContact C-N 3.26Å; N150-S152 PolarHBondContact O-N 3.02Å; N150-S152 VanDerWaalsContact OD1-CB 3.24Å; N150-S152 WeakPolarHBondContact OD1-CB 3.47Å; N150-S152 PolarHBondContact OD1-N 3.48Å; N150-S152 VanDerWaalsContact OD1-N 3.1Å; S152-A156 VanDerWaalsContact O-CB 3.23Å; S152-A156 WeakPolarHBondContact O-CB 3.29Å; S152-A156 PolarHBondContact O-N 3.28Å; S152-N504 WeakPolarHBondContact CB-ND2 3.33Å; S152-N504 PolarHBondContact OG-ND2 3.37Å
153	Q	84.6	Confident	86	Confident	7 Å²	7	15 Å²	15	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-73.1	-37.8	-178.3	-58.6	176.3	-76	0	0	112	I73 F149 N150 D151 A156 T157	I73-Q153 WeakPolarHBondContact O-CG 3.34Å; F149-Q153 HydrophobicContact CB-CB 4.02Å; F149-Q153 HydrophobicContact CD1-CB 4.48Å; F149-Q153 HydrophobicContact CD2-CB 3.46Å; F149-Q153 VanDerWaalsContact CD2-CB 3.46Å; F149-Q153 HydrophobicContact CD2-CG 4.49Å; F149-Q153 HydrophobicContact CE2-CB 3.95Å; F149-Q153 HydrophobicContact CG-CB 3.76Å; N150-Q153 PolarHBondContact O-N 3.35Å; N150-Q153 VanDerWaalsContact O-N 3.16Å; N150-Q153 WeakPolarHBondContact OD1-CG 3.3Å; N150-Q153 PolarHBondContact OD1-N 3.46Å; N150-Q153 VanDerWaalsContact OD1-N 3.12Å; D151-Q153 PolarHBondContact O-N 2.88Å; Q153-A156 PolarHBondContact O-N 2.89Å; Q153-T157 WeakPolarHBondContact O-CB 3.45Å; Q153-T157 PolarHBondContact O-N 3.02Å; Q153-T157 PolarHBondContact O-OG1 3.37Å
154	R	85.8	Confident	85.8	Confident	18 Å²	18	15.4 Å²	15.4	7%	0.068	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-47	174.1	-70.4	175.6	-178	-84	-9.7	111.3	V145 A147 F149 N150 D151 T157 K158 N173	V145-R154 HydrophobicContact CG2-CG 4.3Å; A147-R154 PolarHBondContact O-NH2 3.39Å; F149-R154 HydrophobicContact CB-CG 4.23Å; F149-R154 PolarHBondContact O-NE 3.35Å; N150-R154 WeakPolarHBondContact O-CG 3.47Å; N150-R154 PolarHBondContact O-N 3.45Å; D151-R154 PolarHBondContact O-N 3.09Å; R154-T157 PolarHBondContact O-N 3.04Å; R154-K158 PolarHBondContact O-N 3.47Å; R154-N173 PolarHBondContact NH1-OD1 3.12Å; R154-N173 PolarHBondContact NH2-OD1 3.3Å
155	Q	82	Confident	85.5	Confident	17 Å²	17	17.3 Å²	17.3	8%	0.079	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-42.3	177.9	-173.6	57.8	55.6	0	0	111.5	D151 T157 K158 D159 T503	D151-Q155 VanDerWaalsContact O-CB 3.32Å; D151-Q155 WeakPolarHBondContact O-CB 3.4Å; D151-Q155 PolarHBondContact O-N 3.34Å; Q155-T157 VanDerWaalsContact C-N 3.31Å; Q155-T157 PolarHBondContact O-N 2.91Å; Q155-K158 WeakPolarHBondContact O-CB 3.08Å; Q155-K158 PolarHBondContact O-N 2.99Å; Q155-K158 VanDerWaalsContact O-N 3.14Å; Q155-D159 PolarHBondContact NE2-OD1 3.27Å; Q155-D159 VanDerWaalsContact O-CG 3.26Å; Q155-D159 PolarHBondContact O-N 3.4Å; Q155-T503 HydrophobicContact CG-CG2 4.23Å
156	A	87.9	Confident	85.6	Confident	6 Å²	6	17.6 Å²	17.6	5%	0.05	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-37.5	175.9	0	0	0	0	0	112.6	I73 E116 S152 Q153 D159 A160	I73-A156 HydrophobicContact CD1-CB 4.35Å; I73-A156 HydrophobicContact CG1-CB 3.67Å; E116-A156 HydrophobicContact CG-CB 3.9Å; E116-A156 VanDerWaalsContact OE1-CB 3.31Å; E116-A156 WeakPolarHBondContact OE1-CB 3.43Å; S152-A156 VanDerWaalsContact O-CB 3.23Å; S152-A156 WeakPolarHBondContact O-CB 3.29Å; S152-A156 PolarHBondContact O-N 3.28Å; Q153-A156 PolarHBondContact O-N 2.89Å; A156-D159 PolarHBondContact O-N 2.97Å; A156-A160 PolarHBondContact O-N 2.93Å
157	T	91.6	Very high	86	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-64.8	-41.8	172.9	-53.7	0	0	0	0	111.5	L10 I143 V145 Q153 R154 Q155 A160 G161 I171	L10-T157 HydrophobicContact CD2-CG2 4.18Å; I143-T157 HydrophobicContact CG2-CG2 3.84Å; V145-T157 HydrophobicContact CG1-CG2 3.73Å; Q153-T157 WeakPolarHBondContact O-CB 3.45Å; Q153-T157 PolarHBondContact O-N 3.02Å; Q153-T157 PolarHBondContact O-OG1 3.37Å; R154-T157 PolarHBondContact O-N 3.04Å; Q155-T157 VanDerWaalsContact C-N 3.31Å; Q155-T157 PolarHBondContact O-N 2.91Å; T157-A160 WeakPolarHBondContact O-CB 3.34Å; T157-A160 PolarHBondContact O-N 3.04Å; T157-G161 PolarHBondContact O-N 3.28Å; T157-I171 HydrophobicContact CG2-CD1 4.29Å
158	K	90.1	Very high	86.5	Confident	62 Å²	62	22.3 Å²	22.3	27%	0.27	12%	0.124	S	C	.	.	H	α-helix	trans	-63.4	-41.9	175.1	-174.5	175.5	-178.9	175.5	0	111.9	R154 Q155 G161 T162 V168 I171	R154-K158 PolarHBondContact O-N 3.47Å; Q155-K158 WeakPolarHBondContact O-CB 3.08Å; Q155-K158 PolarHBondContact O-N 2.99Å; Q155-K158 VanDerWaalsContact O-N 3.14Å; K158-G161 PolarHBondContact O-N 2.86Å; K158-T162 PolarHBondContact O-N 3.1Å; K158-T162 PolarHBondContact O-OG1 2.8Å; K158-V168 HydrophobicContact CG-CB 4.24Å; K158-V168 HydrophobicContact CG-CG1 4.38Å; K158-V168 HydrophobicContact CG-CG2 4.46Å; K158-I171 HydrophobicContact CB-CD1 4.4Å; K158-I171 HydrophobicContact CB-CG1 4.38Å
159	D	89.5	Confident	87.3	Confident	7 Å²	7	21.8 Å²	21.8	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-42.7	176.5	-67.5	-14.2	0	0	0	110.2	Q155 A156 G161 T162 I163 R508 I514	Q155-D159 PolarHBondContact NE2-OD1 3.27Å; Q155-D159 VanDerWaalsContact O-CG 3.26Å; Q155-D159 PolarHBondContact O-N 3.4Å; A156-D159 PolarHBondContact O-N 2.97Å; D159-G161 VanDerWaalsContact C-N 3.32Å; D159-G161 PolarHBondContact O-N 3.36Å; D159-T162 WeakPolarHBondContact O-CB 3.36Å; D159-T162 PolarHBondContact O-N 3.03Å; D159-T162 VanDerWaalsContact O-N 3.1Å; D159-I163 VanDerWaalsContact O-CG1 3.28Å; D159-I163 WeakPolarHBondContact O-CG1 3.32Å; D159-I163 PolarHBondContact O-N 3.12Å; D159-R508 IonicContact OD1-NE 2.84Å; D159-R508 IonicContact OD1-NH2 3.11Å; D159-R508 IonicContact OD2-NE 2.87Å; D159-R508 PolarHBondContact OD2-NE 2.87Å; D159-I514 HydrophobicContact CB-CD1 4.41Å
160	A	93.6	Very high	87.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-41.4	172.1	0	0	0	0	0	112.5	E116 A120 L123 A156 T157 I163 S164	E116-A160 HydrophobicContact CB-CB 4.36Å; E116-A160 WeakPolarHBondContact O-CB 3.14Å; A120-A160 HydrophobicContact CB-CB 4.45Å; A120-A160 VanDerWaalsContact CB-O 3.27Å; A120-A160 WeakPolarHBondContact CB-O 3.23Å; L123-A160 HydrophobicContact CD1-CB 4.16Å; A156-A160 PolarHBondContact O-N 2.93Å; T157-A160 WeakPolarHBondContact O-CB 3.34Å; T157-A160 PolarHBondContact O-N 3.04Å; A160-I163 PolarHBondContact O-N 3.03Å; A160-S164 PolarHBondContact O-N 2.94Å
161	G	93.6	Very high	88.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-45.1	172.1	0	0	0	0	0	112.7	T157 K158 D159 S164 L166	T157-G161 PolarHBondContact O-N 3.28Å; K158-G161 PolarHBondContact O-N 2.86Å; D159-G161 VanDerWaalsContact C-N 3.32Å; D159-G161 PolarHBondContact O-N 3.36Å; G161-S164 PolarHBondContact O-N 3.09Å; G161-S164 PolarHBondContact O-OG 3.46Å; G161-L166 WeakPolarHBondContact O-CB 3.26Å; G161-L166 PolarHBondContact O-N 3.47Å; G161-L166 VanDerWaalsContact O-N 3.1Å
162	T	89.6	Confident	89.6	Confident	56 Å²	56	22.2 Å²	22.2	34%	0.344	12%	0.124	S	C	.	.	H	α-helix	trans	-63.3	-43.1	175.9	-60.5	0	0	0	0	112.1	K158 D159 S164 G165 I514	K158-T162 PolarHBondContact O-N 3.1Å; K158-T162 PolarHBondContact O-OG1 2.8Å; D159-T162 WeakPolarHBondContact O-CB 3.36Å; D159-T162 PolarHBondContact O-N 3.03Å; D159-T162 VanDerWaalsContact O-N 3.1Å; T162-S164 PolarHBondContact O-N 2.95Å; T162-G165 PolarHBondContact O-N 3.2Å; T162-I514 HydrophobicContact CG2-CG2 4Å
163	I	89.8	Confident	90.2	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-36	176.5	-65.3	163.2	0	0	0	111.2	E116 A120 D159 A160 G165 L509 M517 A521	E116-I163 HydrophobicContact CB-CD1 4.29Å; A120-I163 HydrophobicContact CB-CB 3.71Å; A120-I163 HydrophobicContact CB-CG2 3.53Å; D159-I163 VanDerWaalsContact O-CG1 3.28Å; D159-I163 WeakPolarHBondContact O-CG1 3.32Å; D159-I163 PolarHBondContact O-N 3.12Å; A160-I163 PolarHBondContact O-N 3.03Å; I163-G165 PolarHBondContact O-N 2.79Å; I163-L509 HydrophobicContact CD1-CD1 3.9Å; I163-M517 HydrophobicContact CD1-CB 4.12Å; I163-M517 HydrophobicContact CD1-SD 3.93Å; I163-M517 HydrophobicContact CG1-CB 4.04Å; I163-M517 HydrophobicContact CG2-CB 4.22Å; I163-A521 HydrophobicContact CG2-CB 4.08Å
164	S	92.5	Very high	90.6	Very high	7 Å²	7	21.9 Å²	21.9	5%	0.049	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.6	175.8	75	0	0	0	0	114.7	A120 A160 G161 T162 L166	A120-S164 WeakPolarHBondContact O-CB 3.41Å; A160-S164 PolarHBondContact O-N 2.94Å; G161-S164 PolarHBondContact O-N 3.09Å; G161-S164 PolarHBondContact O-OG 3.46Å; T162-S164 PolarHBondContact O-N 2.95Å; S164-L166 WeakPolarHBondContact OG-CD1 3.35Å
165	G	89.4	Confident	90.8	Very high	40 Å²	40	21 Å²	21	41%	0.412	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	30	-176.3	0	0	0	0	0	113.3	K127 T162 I163	K127-G165 PolarHBondContact NZ-O 3.17Å; T162-G165 PolarHBondContact O-N 3.2Å; I163-G165 PolarHBondContact O-N 2.79Å
166	L	93.5	Very high	91.2	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	11%	0.114	C	C	.	.			trans	-104.2	136.2	171.1	-68.5	170.9	0	0	0	110.2	I8 K127 V138 A141 G161 S164 V168	I8-L166 HydrophobicContact CD1-CD1 3.77Å; K127-L166 HydrophobicContact CB-CD2 4.31Å; K127-L166 HydrophobicContact CD-CD2 3.84Å; K127-L166 HydrophobicContact CD-CG 4.21Å; K127-L166 HydrophobicContact CG-CD2 4.1Å; V138-L166 HydrophobicContact CG1-CD2 4.3Å; A141-L166 HydrophobicContact CB-CB 4.47Å; A141-L166 HydrophobicContact CB-CD1 4.04Å; A141-L166 HydrophobicContact CB-CD2 4.21Å; A141-L166 HydrophobicContact CB-CG 4.49Å; G161-L166 WeakPolarHBondContact O-CB 3.26Å; G161-L166 PolarHBondContact O-N 3.47Å; G161-L166 VanDerWaalsContact O-N 3.1Å; S164-L166 WeakPolarHBondContact OG-CD1 3.35Å; L166-V168 PolarHBondContact O-N 2.84Å
167	N	93.7	Very high	91.4	Very high	88 Å²	88	19.9 Å²	19.9	47%	0.471	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	103.3	162.9	177.1	38.9	0	0	0	108.7	K139 D140 A141 L169	K139-N167 WeakPolarHBondContact O-CB 3.49Å; K139-N167 PolarHBondContact O-N 3.01Å; D140-N167 WeakPolarHBondContact CA-O 3.46Å; D140-N167 PolarHBondContact OD1-ND2 2.76Å; A141-N167 PolarHBondContact N-O 3.46Å; N167-L169 PolarHBondContact O-N 3.25Å; N167-L169 VanDerWaalsContact O-N 3.08Å
168	V	93.2	Very high	91.5	Very high	13 Å²	13	19.8 Å²	19.8	8%	0.079	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	98.4	179.7	-174.7	0	0	0	0	109.2	A141 I143 K158 L166 R170 I171	A141-V168 CarbonylContact O-C 3.42Å; A141-V168 WeakPolarHBondContact O-CA 3.46Å; I143-V168 HydrophobicContact CD1-CG1 4.35Å; I143-V168 HydrophobicContact CD1-CG2 3.8Å; I143-V168 HydrophobicContact CG1-CG1 4.46Å; K158-V168 HydrophobicContact CG-CB 4.24Å; K158-V168 HydrophobicContact CG-CG1 4.38Å; K158-V168 HydrophobicContact CG-CG2 4.46Å; L166-V168 PolarHBondContact O-N 2.84Å; V168-R170 VanDerWaalsContact C-N 3.32Å; V168-R170 PolarHBondContact O-N 2.81Å; V168-I171 HydrophobicContact CG1-CD1 3.65Å; V168-I171 HydrophobicContact CG1-CG1 4.18Å
169	L	92.1	Very high	91.6	Very high	51 Å²	51	16.9 Å²	16.9	27%	0.267	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	-39.3	-178.7	-66.5	-178.7	0	0	0	112	A5 D140 A141 V142 N167 L379	A5-L169 HydrophobicContact CB-CD1 4.06Å; D140-L169 HydrophobicContact CB-CD1 3.86Å; D140-L169 HydrophobicContact CB-CD2 4.17Å; D140-L169 HydrophobicContact CB-CG 3.94Å; A141-L169 PolarHBondContact O-N 3.09Å; V142-L169 HydrophobicContact CG2-CB 4.24Å; N167-L169 PolarHBondContact O-N 3.25Å; N167-L169 VanDerWaalsContact O-N 3.08Å; L169-L379 HydrophobicContact CB-CD1 4.11Å; L169-L379 HydrophobicContact CD1-CB 4.08Å
170	R	91.5	Very high	91.6	Very high	55 Å²	55	16.7 Å²	16.7	21%	0.208	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	147.1	179.2	-179.1	171.2	-69.3	-171.4	-5.7	110.2	V142 I143 V168 L379 N482	V142-R170 WeakPolarHBondContact CA-O 3.38Å; V142-R170 HydrophobicContact CG2-CB 4.33Å; I143-R170 PolarHBondContact N-O 2.82Å; V168-R170 VanDerWaalsContact C-N 3.32Å; V168-R170 PolarHBondContact O-N 2.81Å; R170-L379 HydrophobicContact CB-CD1 3.48Å; R170-L379 VanDerWaalsContact CB-CD1 3.48Å; R170-L379 HydrophobicContact CG-CD1 4.37Å; R170-N482 WeakPolarHBondContact CA-OD1 3.14Å
171	I	90.6	Very high	91.5	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.041	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.4	161.3	-62.7	-61.8	0	0	0	107.6	I143 V145 T157 K158 V168 N482	I143-I171 HydrophobicContact CB-CD1 4.04Å; I143-I171 WeakPolarHBondContact O-CA 3.38Å; V145-I171 HydrophobicContact CB-CG2 4.17Å; V145-I171 HydrophobicContact CG1-CG2 3.72Å; V145-I171 HydrophobicContact CG2-CG2 3.36Å; T157-I171 HydrophobicContact CG2-CD1 4.29Å; K158-I171 HydrophobicContact CB-CD1 4.4Å; K158-I171 HydrophobicContact CB-CG1 4.38Å; V168-I171 HydrophobicContact CG1-CD1 3.65Å; V168-I171 HydrophobicContact CG1-CG1 4.18Å; I171-N482 PolarHBondContact N-OD1 3.08Å
172	I	91.1	Very high	91.3	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.015	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.6	179.7	-170.8	170.1	0	0	0	110.7	V142 I143 T144 V145 T176 A177 I180 Q375 L392	V142-I172 HydrophobicContact CG1-CB 4.18Å; V142-I172 HydrophobicContact CG1-CG2 3.57Å; I143-I172 PolarHBondContact O-N 2.87Å; I143-I172 VanDerWaalsContact O-N 3.09Å; T144-I172 CarbonylContact C-O 3.56Å; T144-I172 VanDerWaalsContact CA-O 3.25Å; T144-I172 WeakPolarHBondContact CA-O 3.34Å; T144-I172 HydrophobicContact CG2-CG2 3.72Å; V145-I172 PolarHBondContact N-O 3.32Å; I172-T176 HydrophobicContact CD1-CG2 4.45Å; I172-T176 HydrophobicContact CG1-CG2 4.45Å; I172-A177 HydrophobicContact CD1-CB 4.2Å; I172-A177 HydrophobicContact CG1-CB 4.49Å; I172-A177 HydrophobicContact CG2-CB 4.29Å; I172-I180 HydrophobicContact CD1-CD1 3.86Å; I172-Q375 HydrophobicContact CD1-CB 4.18Å; I172-Q375 HydrophobicContact CD1-CG 4.05Å; I172-L392 HydrophobicContact CD1-CD2 4.01Å; I172-L392 HydrophobicContact CG1-CD2 4.32Å
173	N	89.6	Confident	91.1	Very high	6 Å²	6	15 Å²	15	3%	0.032	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135	174.1	-69.1	-18.6	0	0	0	111	V145 A147 R154 T176 A177 D394	V145-N173 CarbonylContact O-C 3.56Å; V145-N173 WeakPolarHBondContact O-CA 3.45Å; A147-N173 HydrophobicContact CB-CB 4.23Å; R154-N173 PolarHBondContact NH1-OD1 3.12Å; R154-N173 PolarHBondContact NH2-OD1 3.3Å; N173-T176 WeakPolarHBondContact CB-OG1 3.49Å; N173-T176 WeakPolarHBondContact O-CB 3.25Å; N173-T176 PolarHBondContact O-N 2.89Å; N173-T176 VanDerWaalsContact O-N 3.15Å; N173-A177 PolarHBondContact O-N 2.79Å; N173-D394 PolarHBondContact ND2-OD1 3.31Å; N173-D394 PolarHBondContact ND2-OD2 2.89Å
174	E	93	Very high	90.6	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-51.8	-53.8	177.4	-74.3	165.9	-162.8	0	0	113.4	K70 V145 P146 T176 A177 A178 V368	K70-E174 IonicContact NZ-OE1 3.22Å; K70-E174 PolarHBondContact NZ-OE1 3.38Å; V145-E174 VanDerWaalsContact C-CD 3.49Å; V145-E174 VanDerWaalsContact C-OE1 3.3Å; V145-E174 WeakPolarHBondContact O-CG 3.26Å; V145-E174 PolarHBondContact O-N 3.31Å; P146-E174 WeakPolarHBondContact CD-OE1 3.47Å; E174-T176 PolarHBondContact O-N 3.36Å; E174-A177 PolarHBondContact O-N 3.49Å; E174-A178 PolarHBondContact O-N 3.23Å; E174-V368 HydrophobicContact CB-CG1 4.17Å; E174-V368 HydrophobicContact CB-CG2 4.34Å; E174-V368 HydrophobicContact CG-CG1 3.86Å
175	P	89.6	Confident	89.6	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-31.1	179.3	24.4	-34.9	0	0	0	112.4	A147 A178 A179 I196 D205 S207	A147-P175 HydrophobicContact CB-CG 3.73Å; P175-A178 PolarHBondContact O-N 3.46Å; P175-A179 WeakPolarHBondContact O-CB 3.36Å; P175-A179 PolarHBondContact O-N 3.05Å; P175-I196 HydrophobicContact CB-CB 4.12Å; P175-I196 HydrophobicContact CB-CG2 3.79Å; P175-D205 HydrophobicContact CG-CB 4.34Å; P175-S207 WeakPolarHBondContact CB-OG 3.27Å; P175-S207 WeakPolarHBondContact CG-OG 3.32Å
176	T	89.5	Confident	88.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.7	-43.5	175.5	-56.1	0	0	0	0	111.4	I172 N173 E174 A179 I180 V218 L392 D394	I172-T176 HydrophobicContact CD1-CG2 4.45Å; I172-T176 HydrophobicContact CG1-CG2 4.45Å; N173-T176 WeakPolarHBondContact CB-OG1 3.49Å; N173-T176 WeakPolarHBondContact O-CB 3.25Å; N173-T176 PolarHBondContact O-N 2.89Å; N173-T176 VanDerWaalsContact O-N 3.15Å; E174-T176 PolarHBondContact O-N 3.36Å; T176-A179 WeakPolarHBondContact O-CB 3.49Å; T176-A179 PolarHBondContact O-N 3.07Å; T176-I180 WeakPolarHBondContact O-CG1 2.82Å; T176-I180 PolarHBondContact O-N 3.2Å; T176-I180 VanDerWaalsContact O-N 3.13Å; T176-V218 HydrophobicContact CG2-CG2 4.34Å; T176-L392 HydrophobicContact CG2-CD1 3.14Å; T176-L392 HydrophobicContact CG2-CD2 3.73Å; T176-L392 HydrophobicContact CG2-CG 3.8Å; T176-D394 PolarHBondContact OG1-OD2 2.9Å; T176-D394 VanDerWaalsContact OG1-OD2 3.04Å
177	A	93.2	Very high	87.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-44.8	173.1	0	0	0	0	0	111.4	T144 I172 N173 E174 A179 I180 A181 V368 G371	T144-A177 HydrophobicContact CG2-CB 4.26Å; I172-A177 HydrophobicContact CD1-CB 4.2Å; I172-A177 HydrophobicContact CG1-CB 4.49Å; I172-A177 HydrophobicContact CG2-CB 4.29Å; N173-A177 PolarHBondContact O-N 2.79Å; E174-A177 PolarHBondContact O-N 3.49Å; A177-A179 VanDerWaalsContact C-N 3.26Å; A177-A179 PolarHBondContact O-N 2.83Å; A177-I180 WeakPolarHBondContact O-CB 3.28Å; A177-I180 PolarHBondContact O-N 2.92Å; A177-I180 VanDerWaalsContact O-N 3.11Å; A177-A181 PolarHBondContact O-N 3.44Å; A177-A181 VanDerWaalsContact O-N 3.08Å; A177-V368 HydrophobicContact CB-CG1 4.41Å; A177-G371 VanDerWaalsContact O-CA 3.28Å; A177-G371 WeakPolarHBondContact O-CA 3.45Å
178	A	93	Very high	86	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-33.9	176.8	0	0	0	0	0	112.9	E174 P175 A181 Y182 I196 V336 A367 V368	E174-A178 PolarHBondContact O-N 3.23Å; P175-A178 PolarHBondContact O-N 3.46Å; A178-A181 PolarHBondContact O-N 3.05Å; A178-Y182 PolarHBondContact O-N 3.24Å; A178-I196 HydrophobicContact CB-CG2 4.23Å; A178-V336 HydrophobicContact CB-CB 4.35Å; A178-V336 HydrophobicContact CB-CG1 3.92Å; A178-V336 HydrophobicContact CB-CG2 3.53Å; A178-A367 HydrophobicContact CB-CB 4.24Å; A178-V368 HydrophobicContact CB-CG2 4.29Å
179	A	91.4	Very high	84.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-40.7	172.8	0	0	0	0	0	112.3	P175 T176 A177 A181 Y182 G183 I196 L209 F216	P175-A179 WeakPolarHBondContact O-CB 3.36Å; P175-A179 PolarHBondContact O-N 3.05Å; T176-A179 WeakPolarHBondContact O-CB 3.49Å; T176-A179 PolarHBondContact O-N 3.07Å; A177-A179 VanDerWaalsContact C-N 3.26Å; A177-A179 PolarHBondContact O-N 2.83Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-A181 PolarHBondContact O-N 3.4Å; A179-Y182 WeakPolarHBondContact O-CB 3.43Å; A179-Y182 PolarHBondContact O-N 3.45Å; A179-G183 PolarHBondContact O-N 3.27Å; A179-I196 HydrophobicContact CB-CD1 4Å; A179-I196 HydrophobicContact CB-CG1 4.06Å; A179-L209 HydrophobicContact CB-CD1 3.98Å; A179-L209 HydrophobicContact CB-CD2 3.55Å; A179-L209 HydrophobicContact CB-CG 4.33Å; A179-F216 HydrophobicContact CB-CD1 4.35Å; A179-F216 WeakPolarHBondContact O-CE1 3.29Å
180	I	90.8	Very high	84.4	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-46.4	173.6	-64.5	168.7	0	0	0	110.3	I172 T176 A177 Y182 G183 L184 V374 L392	I172-I180 HydrophobicContact CD1-CD1 3.86Å; T176-I180 WeakPolarHBondContact O-CG1 2.82Å; T176-I180 PolarHBondContact O-N 3.2Å; T176-I180 VanDerWaalsContact O-N 3.13Å; A177-I180 WeakPolarHBondContact O-CB 3.28Å; A177-I180 PolarHBondContact O-N 2.92Å; A177-I180 VanDerWaalsContact O-N 3.11Å; I180-Y182 VanDerWaalsContact C-N 3.26Å; I180-Y182 PolarHBondContact O-N 3.48Å; I180-G183 PolarHBondContact O-N 3.32Å; I180-L184 HydrophobicContact CG2-CD1 4.39Å; I180-L184 HydrophobicContact CG2-CG 4.5Å; I180-L184 WeakPolarHBondContact O-CG 3.49Å; I180-L184 PolarHBondContact O-N 3.14Å; I180-V374 HydrophobicContact CG2-CB 3.83Å; I180-V374 HydrophobicContact CG2-CG1 3.66Å; I180-V374 HydrophobicContact CG2-CG2 4.19Å; I180-L392 HydrophobicContact CD1-CD1 4.08Å; I180-L392 HydrophobicContact CG1-CD1 4.31Å
181	A	91.3	Very high	84.3	Confident	9 Å²	9	32.1 Å²	32.1	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-36.4	178	0	0	0	0	0	112.4	A177 A178 A179 A367 Y370	A177-A181 PolarHBondContact O-N 3.44Å; A177-A181 VanDerWaalsContact O-N 3.08Å; A178-A181 PolarHBondContact O-N 3.05Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-A181 PolarHBondContact O-N 3.4Å; A181-A367 HydrophobicContact CB-CB 4.38Å; A181-A367 VanDerWaalsContact CB-O 3.27Å; A181-A367 WeakPolarHBondContact CB-O 3.46Å; A181-Y370 HydrophobicContact CB-CD1 3.59Å; A181-Y370 HydrophobicContact CB-CE1 4.43Å; A181-Y370 HydrophobicContact CB-CG 4.08Å
182	Y	89.3	Confident	84.4	Confident	7 Å²	7	35 Å²	35	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-44.6	174.2	172.7	-108.2	0	0	0	113.4	A178 A179 I180 K186 V194 I211 D332 V334 N359	A178-Y182 PolarHBondContact O-N 3.24Å; A179-Y182 WeakPolarHBondContact O-CB 3.43Å; A179-Y182 PolarHBondContact O-N 3.45Å; I180-Y182 VanDerWaalsContact C-N 3.26Å; I180-Y182 PolarHBondContact O-N 3.48Å; Y182-K186 HydrophobicContact CE1-CG 4.42Å; Y182-V194 HydrophobicContact CD1-CG1 4.17Å; Y182-V194 HydrophobicContact CD1-CG2 4.38Å; Y182-V194 HydrophobicContact CE1-CG1 4.07Å; Y182-V194 HydrophobicContact CE1-CG2 3.81Å; Y182-I211 HydrophobicContact CD1-CD1 4Å; Y182-I211 HydrophobicContact CE1-CD1 4.35Å; Y182-D332 PolarHBondContact OH-OD2 3.39Å; Y182-V334 HydrophobicContact CD1-CG2 4.03Å; Y182-V334 HydrophobicContact CD2-CG2 3.76Å; Y182-V334 HydrophobicContact CE1-CG2 4.22Å; Y182-V334 HydrophobicContact CE2-CG2 3.98Å; Y182-V334 HydrophobicContact CG-CG2 3.79Å; Y182-N359 VanDerWaalsContact CE2-ND2 3.32Å; Y182-N359 WeakPolarHBondContact CE2-ND2 3.47Å
183	G	84.9	Confident	84.6	Confident	5 Å²	5	35.4 Å²	35.4	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-82.9	-15.8	-167.9	0	0	0	0	0	115.5	A179 I180 D185 K186	A179-G183 PolarHBondContact O-N 3.27Å; I180-G183 PolarHBondContact O-N 3.32Å; G183-D185 VanDerWaalsContact C-N 3.26Å; G183-D185 PolarHBondContact O-N 3.42Å; G183-K186 PolarHBondContact O-N 3.01Å
184	L	78.8	Confident	84.9	Confident	23 Å²	23	35.1 Å²	35.1	12%	0.12	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-54.6	-39.3	-179.2	-91.4	167.1	0	0	0	113.8	I180 K186 Y370 V374 A386 L390	I180-L184 HydrophobicContact CG2-CD1 4.39Å; I180-L184 HydrophobicContact CG2-CG 4.5Å; I180-L184 WeakPolarHBondContact O-CG 3.49Å; I180-L184 PolarHBondContact O-N 3.14Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-Y370 HydrophobicContact CD1-CD1 4.42Å; L184-Y370 HydrophobicContact CD1-CE1 3.61Å; L184-V374 HydrophobicContact CD1-CB 4.46Å; L184-V374 HydrophobicContact CD1-CG1 4.23Å; L184-V374 HydrophobicContact CD1-CG2 3.47Å; L184-V374 VanDerWaalsContact CD1-CG2 3.47Å; L184-A386 WeakPolarHBondContact CD2-O 3.37Å; L184-L390 HydrophobicContact CD2-CD1 3.9Å
185	D	72.8	Confident	85	Confident	143 Å²	143	34.8 Å²	34.8	77%	0.765	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-91.3	9	-179.8	-63.7	-29.3	0	0	0	113.1	G183	G183-D185 VanDerWaalsContact C-N 3.26Å; G183-D185 PolarHBondContact O-N 3.42Å
186	K	70.9	Confident	85.3	Confident	78 Å²	78	34.8 Å²	34.8	34%	0.339	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-111.9	16.2	-173.7	-60.8	-61.5	-176.2	-171	0	114.6	Y182 G183 L184 G188 T189	Y182-K186 HydrophobicContact CE1-CG 4.42Å; G183-K186 PolarHBondContact O-N 3.01Å; L184-K186 VanDerWaalsContact C-N 3.33Å; K186-G188 PolarHBondContact O-N 2.86Å; K186-T189 PolarHBondContact O-OG1 3.24Å
187	K	64.8	Low	85.7	Confident	93 Å²	93	34.8 Å²	34.8	40%	0.404	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	137.2	175.8	-65.1	-169.1	180	-171.6	0	111.2	E385 D389	K187-E385 PolarHBondContact NZ-O 3.45Å; K187-E385 VanDerWaalsContact NZ-O 3.13Å; K187-D389 IonicContact NZ-OD2 3.03Å
188	G	65.5	Low	85.7	Confident	67 Å²	67	35.1 Å²	35.1	69%	0.691	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	9.4	174.2	0	0	0	0	0	116.8	K186	K186-G188 PolarHBondContact O-N 2.86Å
189	T	69.7	Low	85.8	Confident	73 Å²	73	35.1 Å²	35.1	45%	0.448	20%	0.2	S	C	.	.	S	Bend	trans	-91.6	6.2	177.4	61.3	0	0	0	0	115.1	K186 R192	K186-T189 PolarHBondContact O-OG1 3.24Å; T189-R192 WeakPolarHBondContact OG1-CD 3.41Å
190	G	81.9	Confident	85.8	Confident	37 Å²	37	35.7 Å²	35.7	38%	0.381	21%	0.206	S	C	.	.			trans	73.4	-175.5	-171.1	0	0	0	0	0	113.3	R192	G190-R192 PolarHBondContact O-N 3.14Å
191	E	89.3	Confident	85.6	Confident	110 Å²	110	36.5 Å²	36.5	51%	0.514	22%	0.215	S	C	.	.			trans	-60.6	123.9	178.6	-171.3	-169.7	164.3	0	0	111.5	T210 E212	E191-T210 HydrophobicContact CG-CG2 3.4Å; E191-T210 VanDerWaalsContact CG-CG2 3.4Å; E191-T210 WeakPolarHBondContact OE1-CG2 3.4Å; E191-E212 HydrophobicContact CB-CB 4.48Å; E191-E212 HydrophobicContact CB-CG 4.39Å
192	R	92	Very high	85.3	Confident	68 Å²	68	36 Å²	36	26%	0.257	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.4	176.2	-66.2	-173.9	81.5	119.6	-0.5	112	T189 G190 V194 T210 I211 D332	T189-R192 WeakPolarHBondContact OG1-CD 3.41Å; G190-R192 PolarHBondContact O-N 3.14Å; R192-V194 HydrophobicContact CB-CG2 4.42Å; R192-T210 WeakPolarHBondContact O-CA 3.3Å; R192-I211 PolarHBondContact N-O 2.87Å; R192-I211 PolarHBondContact O-N 3.36Å; R192-D332 IonicContact CZ-OD2 3.99Å; R192-D332 IonicContact NE-OD2 2.92Å; R192-D332 PolarHBondContact NE-OD2 2.85Å; R192-D332 IonicContact NH2-OD1 2.68Å; R192-D332 PolarHBondContact NH2-OD1 3.01Å; R192-D332 VanDerWaalsContact NH2-OD1 3.16Å; R192-D332 IonicContact NH2-OD2 3.84Å; R192-D332 PolarHBondContact NH2-OD2 3.43Å
193	N	95.1	Very high	85.1	Confident	13 Å²	13	36.2 Å²	36.2	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.8	164.3	-57.5	-43.9	0	0	0	110.8	L209 T210 L325 Q329 H331	N193-L209 CarbonylContact C-O 3.5Å; N193-L209 WeakPolarHBondContact CA-O 3.46Å; N193-T210 PolarHBondContact OD1-OG1 2.89Å; N193-L325 HydrophobicContact CB-CD1 3.95Å; N193-Q329 WeakPolarHBondContact CB-O 3.24Å; N193-Q329 PolarHBondContact ND2-O 3.15Å; N193-H331 PolarHBondContact N-ND1 2.94Å; N193-H331 WeakPolarHBondContact O-CB 3.29Å; N193-H331 PolarHBondContact O-N 2.69Å; N193-H331 PolarHBondContact O-ND1 2.74Å
194	V	95.2	Very high	85.4	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.1	-177	-177.7	0	0	0	0	108.9	Y182 R192 I196 I208 L209 I211 D332 V334	Y182-V194 HydrophobicContact CD1-CG1 4.17Å; Y182-V194 HydrophobicContact CD1-CG2 4.38Å; Y182-V194 HydrophobicContact CE1-CG1 4.07Å; Y182-V194 HydrophobicContact CE1-CG2 3.81Å; R192-V194 HydrophobicContact CB-CG2 4.42Å; V194-I196 HydrophobicContact CG1-CD1 3.91Å; V194-I208 WeakPolarHBondContact O-CA 3.4Å; V194-L209 PolarHBondContact N-O 3.3Å; V194-L209 PolarHBondContact O-N 3.26Å; V194-I211 HydrophobicContact CB-CD1 4.37Å; V194-I211 HydrophobicContact CG2-CD1 3.84Å; V194-I211 HydrophobicContact CG2-CG1 4.34Å; V194-D332 WeakPolarHBondContact CA-O 3.45Å; V194-D332 HydrophobicContact CG1-CB 4.35Å; V194-D332 HydrophobicContact CG2-CB 4.44Å; V194-V334 HydrophobicContact CG1-CG2 3.6Å
195	L	96.7	Very high	86	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.9	168.4	-175.6	144.9	0	0	0	109.3	F197 V206 I208 V316 V330 D332 V333 V334 F353	L195-F197 HydrophobicContact CD2-CB 3.77Å; L195-F197 HydrophobicContact CD2-CD2 4.37Å; L195-V206 HydrophobicContact CD1-CG1 3.82Å; L195-V206 HydrophobicContact CD2-CG1 4.06Å; L195-V206 HydrophobicContact CG-CG1 3.93Å; L195-I208 HydrophobicContact CD1-CD1 4.5Å; L195-I208 HydrophobicContact CD1-CG1 4.18Å; L195-I208 HydrophobicContact CG-CG1 4.43Å; L195-V316 HydrophobicContact CD1-CG1 3.92Å; L195-V330 HydrophobicContact CB-CG1 3.9Å; L195-D332 PolarHBondContact N-O 2.61Å; L195-V333 HydrophobicContact CB-CG2 4.44Å; L195-V333 HydrophobicContact CD2-CG1 3.92Å; L195-V333 CarbonylContact O-C 3.56Å; L195-V333 WeakPolarHBondContact O-CA 3.45Å; L195-V334 PolarHBondContact O-N 2.87Å; L195-F353 HydrophobicContact CD1-CE2 4.24Å; L195-F353 HydrophobicContact CD1-CZ 3.81Å
196	I	95.9	Very high	87	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.6	169.4	-52.5	-58.2	0	0	0	107.6	P175 A178 A179 V194 V206 S207 L209 V334 V336	P175-I196 HydrophobicContact CB-CB 4.12Å; P175-I196 HydrophobicContact CB-CG2 3.79Å; A178-I196 HydrophobicContact CB-CG2 4.23Å; A179-I196 HydrophobicContact CB-CD1 4Å; A179-I196 HydrophobicContact CB-CG1 4.06Å; V194-I196 HydrophobicContact CG1-CD1 3.91Å; I196-V206 WeakPolarHBondContact O-CA 3.48Å; I196-S207 PolarHBondContact N-O 2.94Å; I196-S207 PolarHBondContact O-N 2.84Å; I196-S207 VanDerWaalsContact O-N 3.15Å; I196-L209 HydrophobicContact CB-CD1 4.41Å; I196-L209 HydrophobicContact CD1-CD1 4.48Å; I196-L209 HydrophobicContact CG1-CD1 3.45Å; I196-L209 VanDerWaalsContact CG1-CD1 3.45Å; I196-V334 HydrophobicContact CD1-CB 3.81Å; I196-V334 HydrophobicContact CD1-CG1 4.27Å; I196-V334 HydrophobicContact CD1-CG2 4.14Å; I196-V336 HydrophobicContact CG2-CG2 3.75Å
197	F	96.6	Very high	88.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	96.7	175.9	-170.9	-82.5	0	0	0	108	L195 L199 F204 V206 T312 V316 V334 L335 V336 T340 V345 L349	L195-F197 HydrophobicContact CD2-CB 3.77Å; L195-F197 HydrophobicContact CD2-CD2 4.37Å; F197-L199 HydrophobicContact CD1-CB 4.27Å; F197-L199 HydrophobicContact CE1-CB 3.82Å; F197-L199 HydrophobicContact CE1-CD2 4.22Å; F197-F204 AromaticContact CD1-CE2 3.99Å; F197-F204 HydrophobicContact CD1-CE2 3.99Å; F197-F204 AromaticContact CD2-CE2 3.89Å; F197-F204 HydrophobicContact CD2-CE2 3.89Å; F197-F204 AromaticContact CD2-CZ 3.97Å; F197-F204 HydrophobicContact CD2-CZ 3.97Å; F197-F204 HydrophobicContact CE1-CD2 4.46Å; F197-F204 AromaticContact CE1-CE2 3.61Å; F197-F204 HydrophobicContact CE1-CE2 3.61Å; F197-F204 HydrophobicContact CE1-CZ 4.28Å; F197-F204 AromaticContact CE2-CE2 3.51Å; F197-F204 HydrophobicContact CE2-CE2 3.51Å; F197-F204 AromaticContact CE2-CZ 3.37Å; F197-F204 HydrophobicContact CE2-CZ 3.37Å; F197-F204 HydrophobicContact CG-CE2 4.13Å; F197-F204 HydrophobicContact CZ-CD2 4.44Å; F197-F204 AromaticContact CZ-CE2 3.36Å; F197-F204 HydrophobicContact CZ-CE2 3.36Å; F197-F204 AromaticContact CZ-CZ 3.55Å; F197-F204 HydrophobicContact CZ-CZ 3.55Å; F197-V206 HydrophobicContact CD2-CG2 4.27Å; F197-T312 HydrophobicContact CZ-CG2 4.46Å; F197-V316 HydrophobicContact CD2-CG2 3.81Å; F197-V316 HydrophobicContact CE2-CG2 3.71Å; F197-V334 PolarHBondContact N-O 2.82Å; F197-L335 HydrophobicContact CB-CD2 4.3Å; F197-L335 HydrophobicContact CD1-CD2 4.31Å; F197-V336 PolarHBondContact O-N 3.32Å; F197-T340 HydrophobicContact CD1-CG2 3.82Å; F197-T340 HydrophobicContact CE1-CG2 4.19Å; F197-V345 HydrophobicContact CE1-CG1 3.68Å; F197-V345 HydrophobicContact CZ-CG1 3.88Å; F197-L349 HydrophobicContact CB-CD2 4.04Å; F197-L349 HydrophobicContact CD1-CD2 4.19Å; F197-L349 HydrophobicContact CD2-CD1 3.8Å; F197-L349 HydrophobicContact CD2-CD2 3.65Å; F197-L349 HydrophobicContact CD2-CG 4.37Å; F197-L349 HydrophobicContact CE2-CD1 3.92Å; F197-L349 HydrophobicContact CE2-CD2 4.08Å; F197-L349 HydrophobicContact CG-CD2 3.7Å
198	D	94.7	Very high	89.6	Confident	7 Å²	7	20 Å²	20	4%	0.037	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	99.8	-177	-167.5	-8.8	0	0	0	110.6	F204 D205 V336	D198-F204 CarbonylContact O-C 3.52Å; D198-F204 VanDerWaalsContact O-CA 3.31Å; D198-F204 WeakPolarHBondContact O-CA 3.47Å; D198-F204 VanDerWaalsContact O-CD2 3.23Å; D198-F204 WeakPolarHBondContact O-CD2 3.3Å; D198-D205 HydrophobicContact CB-CB 4.48Å; D198-D205 PolarHBondContact N-O 2.91Å; D198-D205 PolarHBondContact O-N 2.93Å; D198-V336 WeakPolarHBondContact CA-O 3.26Å; D198-V336 HydrophobicContact CB-CB 4.02Å; D198-V336 HydrophobicContact CB-CG1 4.31Å
199	L	94.1	Very high	90.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	95	177.4	-173.8	67.2	0	0	0	109.3	F197 F204 L227 F232 T312 V336 G337 S339 T340 V345	F197-L199 HydrophobicContact CD1-CB 4.27Å; F197-L199 HydrophobicContact CE1-CB 3.82Å; F197-L199 HydrophobicContact CE1-CD2 4.22Å; L199-F204 HydrophobicContact CB-CD2 3.85Å; L199-F204 HydrophobicContact CB-CE2 4.28Å; L199-F204 HydrophobicContact CD1-CB 3.7Å; L199-F204 HydrophobicContact CD1-CD2 3.49Å; L199-F204 VanDerWaalsContact CD1-CD2 3.49Å; L199-F204 HydrophobicContact CD1-CE2 4.35Å; L199-F204 HydrophobicContact CD1-CG 3.75Å; L199-F204 HydrophobicContact CG-CD2 4.22Å; L199-L227 HydrophobicContact CD1-CG 4.49Å; L199-F232 HydrophobicContact CD2-CE2 4.23Å; L199-F232 HydrophobicContact CD2-CZ 4.26Å; L199-T312 HydrophobicContact CD1-CG2 4.33Å; L199-T312 HydrophobicContact CD2-CG2 4.4Å; L199-V336 PolarHBondContact N-O 3.46Å; L199-G337 CarbonylContact O-C 3.59Å; L199-G337 VanDerWaalsContact O-C 3.31Å; L199-G337 WeakPolarHBondContact O-CA 3.46Å; L199-S339 VanDerWaalsContact O-CB 3.28Å; L199-S339 WeakPolarHBondContact O-CB 3.33Å; L199-S339 PolarHBondContact O-N 2.88Å; L199-T340 HydrophobicContact CB-CG2 3.79Å; L199-V345 HydrophobicContact CD2-CG1 3.91Å; L199-V345 HydrophobicContact CD2-CG2 4.13Å
200	G	91.1	Very high	92.1	Very high	12 Å²	12	13.7 Å²	13.7	12%	0.124	8%	0.082	C	C	.	.			trans	-88.8	-154.2	-174.6	0	0	0	0	0	114.5	T203 G229 S339	G200-T203 PolarHBondContact N-O 3.39Å; G200-G229 PolarHBondContact O-N 2.74Å; G200-S339 WeakPolarHBondContact O-CB 3.45Å; G200-S339 PolarHBondContact O-OG 3.12Å
201	G	87.1	Confident	92.5	Very high	21 Å²	21	12.7 Å²	12.7	22%	0.216	7%	0.068	C	C	.	.	S	Bend	trans	-76.4	-36.1	177.2	0	0	0	0	0	113.7	T13 G228 G229 E230	T13-G201 WeakPolarHBondContact OG1-CA 3.33Å; G201-G228 CarbonylContact O-C 3.5Å; G201-G229 PolarHBondContact O-N 2.69Å; G201-E230 WeakPolarHBondContact O-CB 3.37Å; G201-E230 PolarHBondContact O-N 2.99Å
202	G	84.7	Confident	92.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-140.9	-5.5	-179.7	0	0	0	0	0	116.5	R71 T225	R71-G202 PolarHBondContact NH2-O 3.41Å; G202-T225 CarbonylContact O-C 3.29Å; G202-T225 VanDerWaalsContact O-O 3.07Å
203	T	85.1	Confident	92	Very high	10 Å²	10	13.6 Å²	13.6	6%	0.061	8%	0.078	C	C	.	.			trans	-126.5	150.4	178.5	53.4	0	0	0	0	110.3	P146 G200 L227	P146-T203 HydrophobicContact CB-CG2 4.48Å; P146-T203 HydrophobicContact CG-CG2 3.97Å; G200-T203 PolarHBondContact N-O 3.39Å; T203-L227 CarbonylContact C-O 3.53Å
204	F	91.9	Very high	91.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.9	173.5	176	-127.7	0	0	0	109.5	F197 D198 L199 V206 G223 D224 L227 T312 P315	F197-F204 AromaticContact CD1-CE2 3.99Å; F197-F204 HydrophobicContact CD1-CE2 3.99Å; F197-F204 AromaticContact CD2-CE2 3.89Å; F197-F204 HydrophobicContact CD2-CE2 3.89Å; F197-F204 AromaticContact CD2-CZ 3.97Å; F197-F204 HydrophobicContact CD2-CZ 3.97Å; F197-F204 HydrophobicContact CE1-CD2 4.46Å; F197-F204 AromaticContact CE1-CE2 3.61Å; F197-F204 HydrophobicContact CE1-CE2 3.61Å; F197-F204 HydrophobicContact CE1-CZ 4.28Å; F197-F204 AromaticContact CE2-CE2 3.51Å; F197-F204 HydrophobicContact CE2-CE2 3.51Å; F197-F204 AromaticContact CE2-CZ 3.37Å; F197-F204 HydrophobicContact CE2-CZ 3.37Å; F197-F204 HydrophobicContact CG-CE2 4.13Å; F197-F204 HydrophobicContact CZ-CD2 4.44Å; F197-F204 AromaticContact CZ-CE2 3.36Å; F197-F204 HydrophobicContact CZ-CE2 3.36Å; F197-F204 AromaticContact CZ-CZ 3.55Å; F197-F204 HydrophobicContact CZ-CZ 3.55Å; D198-F204 CarbonylContact O-C 3.52Å; D198-F204 VanDerWaalsContact O-CA 3.31Å; D198-F204 WeakPolarHBondContact O-CA 3.47Å; D198-F204 VanDerWaalsContact O-CD2 3.23Å; D198-F204 WeakPolarHBondContact O-CD2 3.3Å; L199-F204 HydrophobicContact CB-CD2 3.85Å; L199-F204 HydrophobicContact CB-CE2 4.28Å; L199-F204 HydrophobicContact CD1-CB 3.7Å; L199-F204 HydrophobicContact CD1-CD2 3.49Å; L199-F204 VanDerWaalsContact CD1-CD2 3.49Å; L199-F204 HydrophobicContact CD1-CE2 4.35Å; L199-F204 HydrophobicContact CD1-CG 3.75Å; L199-F204 HydrophobicContact CG-CD2 4.22Å; F204-V206 HydrophobicContact CE1-CG2 3.83Å; F204-V206 HydrophobicContact CE2-CG2 3.68Å; F204-V206 HydrophobicContact CZ-CG2 3.23Å; F204-G223 CarbonylContact O-C 3.55Å; F204-G223 WeakPolarHBondContact O-CA 3.42Å; F204-D224 PolarHBondContact N-O 3.5Å; F204-D224 PolarHBondContact O-N 3.33Å; F204-L227 HydrophobicContact CB-CB 4.06Å; F204-L227 HydrophobicContact CB-CD2 4.32Å; F204-L227 HydrophobicContact CB-CG 4.24Å; F204-L227 WeakPolarHBondContact CB-O 3.4Å; F204-L227 HydrophobicContact CD1-CD2 3.89Å; F204-L227 HydrophobicContact CG-CD2 4.33Å; F204-L227 PolarHBondContact N-O 2.95Å; F204-T312 HydrophobicContact CD1-CG2 4.49Å; F204-T312 HydrophobicContact CE1-CG2 4.29Å; F204-T312 WeakPolarHBondContact CE1-O 3.44Å; F204-T312 HydrophobicContact CZ-CG2 4.39Å; F204-T312 VanDerWaalsContact CZ-O 3.23Å; F204-T312 WeakPolarHBondContact CZ-O 3.42Å; F204-P315 HydrophobicContact CD1-CB 4.42Å; F204-P315 HydrophobicContact CD1-CG 3.95Å; F204-P315 HydrophobicContact CE1-CB 3.82Å; F204-P315 HydrophobicContact CE1-CG 3.61Å
205	D	91.5	Very high	91	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.1	177.8	-67.8	-94.7	0	0	0	110.2	P146 A147 Y148 P175 D198	P146-D205 WeakPolarHBondContact CB-OD2 3.14Å; A147-D205 PolarHBondContact N-OD1 3.43Å; Y148-D205 PolarHBondContact N-OD1 3.47Å; P175-D205 HydrophobicContact CG-CB 4.34Å; D198-D205 HydrophobicContact CB-CB 4.48Å; D198-D205 PolarHBondContact N-O 2.91Å; D198-D205 PolarHBondContact O-N 2.93Å
206	V	93.6	Very high	90.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.2	176.4	-176.7	0	0	0	0	108.9	L195 I196 F197 F204 T221 A222 P315 V316 S319	L195-V206 HydrophobicContact CD1-CG1 3.82Å; L195-V206 HydrophobicContact CD2-CG1 4.06Å; L195-V206 HydrophobicContact CG-CG1 3.93Å; I196-V206 WeakPolarHBondContact O-CA 3.48Å; F197-V206 HydrophobicContact CD2-CG2 4.27Å; F204-V206 HydrophobicContact CE1-CG2 3.83Å; F204-V206 HydrophobicContact CE2-CG2 3.68Å; F204-V206 HydrophobicContact CZ-CG2 3.23Å; V206-T221 WeakPolarHBondContact O-CA 3.41Å; V206-A222 PolarHBondContact N-O 2.93Å; V206-A222 PolarHBondContact O-N 2.93Å; V206-P315 HydrophobicContact CB-CB 4.45Å; V206-P315 HydrophobicContact CG2-CB 4.06Å; V206-V316 HydrophobicContact CG1-CG2 4.17Å; V206-V316 HydrophobicContact CG2-CG2 3.88Å; V206-S319 PolarHBondContact O-OG 2.85Å; V206-S319 VanDerWaalsContact O-OG 3.07Å
207	S	94	Very high	90.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.1	175.5	-54.2	0	0	0	0	110.8	P175 I196 S220 T221	P175-S207 WeakPolarHBondContact CB-OG 3.27Å; P175-S207 WeakPolarHBondContact CG-OG 3.32Å; I196-S207 PolarHBondContact N-O 2.94Å; I196-S207 PolarHBondContact O-N 2.84Å; I196-S207 VanDerWaalsContact O-N 3.15Å; S207-S220 WeakPolarHBondContact CA-O 3.25Å; S207-T221 PolarHBondContact OG-OG1 2.96Å
208	I	95.6	Very high	90.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.4	170	-65.1	179.4	0	0	0	107.3	V194 L195 K219 S220 L320 A323 L325	V194-I208 WeakPolarHBondContact O-CA 3.4Å; L195-I208 HydrophobicContact CD1-CD1 4.5Å; L195-I208 HydrophobicContact CD1-CG1 4.18Å; L195-I208 HydrophobicContact CG-CG1 4.43Å; I208-K219 HydrophobicContact CG2-CB 4.37Å; I208-K219 PolarHBondContact O-N 3Å; I208-S220 PolarHBondContact N-O 3.01Å; I208-S220 PolarHBondContact O-N 3.2Å; I208-L320 HydrophobicContact CD1-CB 4.37Å; I208-L320 HydrophobicContact CD1-CD2 3.69Å; I208-L320 HydrophobicContact CD1-CG 3.92Å; I208-A323 HydrophobicContact CB-CB 4.27Å; I208-A323 HydrophobicContact CD1-CB 3.91Å; I208-A323 HydrophobicContact CG2-CB 4.09Å; I208-L325 HydrophobicContact CG2-CD1 3.82Å
209	L	94.3	Very high	90.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146	178.5	-58.7	92.4	0	0	0	110.5	A179 N193 V194 I196 E217 V218	A179-L209 HydrophobicContact CB-CD1 3.98Å; A179-L209 HydrophobicContact CB-CD2 3.55Å; A179-L209 HydrophobicContact CB-CG 4.33Å; N193-L209 CarbonylContact C-O 3.5Å; N193-L209 WeakPolarHBondContact CA-O 3.46Å; V194-L209 PolarHBondContact N-O 3.3Å; V194-L209 PolarHBondContact O-N 3.26Å; I196-L209 HydrophobicContact CB-CD1 4.41Å; I196-L209 HydrophobicContact CD1-CD1 4.48Å; I196-L209 HydrophobicContact CG1-CD1 3.45Å; I196-L209 VanDerWaalsContact CG1-CD1 3.45Å; L209-E217 CarbonylContact C-O 3.57Å; L209-E217 WeakPolarHBondContact CA-O 3.46Å; L209-V218 HydrophobicContact CD2-CG2 3.67Å; L209-V218 HydrophobicContact CG-CB 4.46Å; L209-V218 HydrophobicContact CG-CG2 4.02Å
210	T	93	Very high	90.1	Very high	9 Å²	9	22.2 Å²	22.2	6%	0.055	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.6	164.4	-57.2	0	0	0	0	107.8	E191 R192 N193 E217 K219	E191-T210 HydrophobicContact CG-CG2 3.4Å; E191-T210 VanDerWaalsContact CG-CG2 3.4Å; E191-T210 WeakPolarHBondContact OE1-CG2 3.4Å; R192-T210 WeakPolarHBondContact O-CA 3.3Å; N193-T210 PolarHBondContact OD1-OG1 2.89Å; T210-E217 PolarHBondContact N-O 2.9Å; T210-E217 PolarHBondContact O-N 3.08Å; T210-K219 WeakPolarHBondContact OG1-CE 3.28Å
211	I	90.7	Very high	90	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.077	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.4	178.4	-52.4	177.7	0	0	0	108	Y182 R192 V194 I215 F216	Y182-I211 HydrophobicContact CD1-CD1 4Å; Y182-I211 HydrophobicContact CE1-CD1 4.35Å; R192-I211 PolarHBondContact N-O 2.87Å; R192-I211 PolarHBondContact O-N 3.36Å; V194-I211 HydrophobicContact CB-CD1 4.37Å; V194-I211 HydrophobicContact CG2-CD1 3.84Å; V194-I211 HydrophobicContact CG2-CG1 4.34Å; I211-I215 WeakPolarHBondContact CA-O 3.35Å; I211-F216 HydrophobicContact CD1-CD1 4.01Å; I211-F216 HydrophobicContact CD1-CE1 3.84Å; I211-F216 HydrophobicContact CG1-CD1 3.9Å; I211-F216 HydrophobicContact CG1-CE1 4.11Å; I211-F216 HydrophobicContact CG2-CD1 4.21Å; I211-F216 HydrophobicContact CG2-CE1 3.87Å; I211-F216 HydrophobicContact CG2-CZ 4.04Å
212	E	88.8	Confident	90	Very high	90 Å²	90	20.7 Å²	20.7	42%	0.421	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	117.2	179	-174	178.9	-162.5	0	0	109.5	E191 G214 I215	E191-E212 HydrophobicContact CB-CB 4.48Å; E191-E212 HydrophobicContact CB-CG 4.39Å; E212-G214 PolarHBondContact O-N 2.65Å; E212-I215 PolarHBondContact N-O 3.21Å; E212-I215 WeakPolarHBondContact O-CA 3.15Å; E212-I215 VanDerWaalsContact O-CB 3.31Å; E212-I215 WeakPolarHBondContact O-CB 3.43Å; E212-I215 PolarHBondContact O-N 2.64Å
213	D	83	Confident	90.2	Very high	108 Å²	108	21.5 Å²	21.5	58%	0.578	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.9	42.1	173.5	-65.1	-25.4	0	0	0	116
214	G	81.6	Confident	90	Very high	6 Å²	6	24.1 Å²	24.1	6%	0.062	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-4.6	179	0	0	0	0	0	114.7	E212 F216 L390 L391	E212-G214 PolarHBondContact O-N 2.65Å; G214-F216 VanDerWaalsContact O-CD2 3.24Å; G214-F216 WeakPolarHBondContact O-CD2 3.28Å; G214-F216 WeakPolarHBondContact O-CE2 3.29Å; G214-L390 WeakPolarHBondContact O-CA 3.45Å; G214-L391 PolarHBondContact O-N 3.06Å
215	I	87.7	Confident	89.3	Confident	69 Å²	69	25 Å²	25	35%	0.354	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.8	170.6	-52.9	175.7	0	0	0	108.8	I211 E212 L391 L393	I211-I215 WeakPolarHBondContact CA-O 3.35Å; E212-I215 PolarHBondContact N-O 3.21Å; E212-I215 WeakPolarHBondContact O-CA 3.15Å; E212-I215 VanDerWaalsContact O-CB 3.31Å; E212-I215 WeakPolarHBondContact O-CB 3.43Å; E212-I215 PolarHBondContact O-N 2.64Å; I215-L391 WeakPolarHBondContact CA-O 3.29Å; I215-L391 HydrophobicContact CG1-CB 4.35Å; I215-L391 HydrophobicContact CG1-CD2 4.46Å; I215-L391 HydrophobicContact CG2-CD2 4.4Å; I215-L393 HydrophobicContact CG2-CD1 4.41Å
216	F	90.3	Very high	88.8	Confident	4 Å²	4	27 Å²	27	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	100.2	176.4	-65.6	-102.9	0	0	0	108.1	A179 I211 G214 L390 L391 L392 L393	A179-F216 HydrophobicContact CB-CD1 4.35Å; A179-F216 WeakPolarHBondContact O-CE1 3.29Å; I211-F216 HydrophobicContact CD1-CD1 4.01Å; I211-F216 HydrophobicContact CD1-CE1 3.84Å; I211-F216 HydrophobicContact CG1-CD1 3.9Å; I211-F216 HydrophobicContact CG1-CE1 4.11Å; I211-F216 HydrophobicContact CG2-CD1 4.21Å; I211-F216 HydrophobicContact CG2-CE1 3.87Å; I211-F216 HydrophobicContact CG2-CZ 4.04Å; G214-F216 VanDerWaalsContact O-CD2 3.24Å; G214-F216 WeakPolarHBondContact O-CD2 3.28Å; G214-F216 WeakPolarHBondContact O-CE2 3.29Å; F216-L390 HydrophobicContact CD2-CD2 4.31Å; F216-L390 HydrophobicContact CE2-CD2 3.42Å; F216-L390 VanDerWaalsContact CE2-CD2 3.42Å; F216-L390 HydrophobicContact CZ-CD2 4.15Å; F216-L391 PolarHBondContact N-O 2.97Å; F216-L392 HydrophobicContact CB-CD1 3.9Å; F216-L393 PolarHBondContact O-N 3.19Å
217	E	91.4	Very high	88.4	Confident	56 Å²	56	27.1 Å²	27.1	26%	0.262	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.5	-179.2	-168.6	-168.6	157.5	0	0	110.4	L209 T210 K219 L393	L209-E217 CarbonylContact C-O 3.57Å; L209-E217 WeakPolarHBondContact CA-O 3.46Å; T210-E217 PolarHBondContact N-O 2.9Å; T210-E217 PolarHBondContact O-N 3.08Å; E217-K219 PolarHBondContact O-N 2.97Å; E217-K219 IonicContact OE1-NZ 3.32Å; E217-K219 PolarHBondContact OE1-NZ 2.98Å; E217-K219 WeakPolarHBondContact OE2-CE 3.47Å; E217-K219 IonicContact OE2-NZ 3.12Å; E217-K219 PolarHBondContact OE2-NZ 3.2Å; E217-L393 HydrophobicContact CB-CB 4.39Å; E217-L393 HydrophobicContact CG-CB 4.08Å; E217-L393 HydrophobicContact CG-CD1 4.3Å
218	V	92	Very high	88.2	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.5	172	-172.1	0	0	0	0	108.4	T176 L209 L393 D394 V395	T176-V218 HydrophobicContact CG2-CG2 4.34Å; L209-V218 HydrophobicContact CD2-CG2 3.67Å; L209-V218 HydrophobicContact CG-CB 4.46Å; L209-V218 HydrophobicContact CG-CG2 4.02Å; V218-L393 PolarHBondContact N-O 3.03Å; V218-D394 HydrophobicContact CG2-CB 4.48Å; V218-V395 HydrophobicContact CB-CG1 4.35Å; V218-V395 HydrophobicContact CB-CG2 4.13Å; V218-V395 HydrophobicContact CG1-CG2 3.65Å; V218-V395 WeakPolarHBondContact O-CG1 3.45Å
219	K	93.2	Very high	88.1	Confident	64 Å²	64	27.2 Å²	27.2	28%	0.278	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-35.2	177.9	-62.6	-63.6	-179.7	-178.1	0	112.2	I208 T210 E217 A323	I208-K219 HydrophobicContact CG2-CB 4.37Å; I208-K219 PolarHBondContact O-N 3Å; T210-K219 WeakPolarHBondContact OG1-CE 3.28Å; E217-K219 PolarHBondContact O-N 2.97Å; E217-K219 IonicContact OE1-NZ 3.32Å; E217-K219 PolarHBondContact OE1-NZ 2.98Å; E217-K219 WeakPolarHBondContact OE2-CE 3.47Å; E217-K219 IonicContact OE2-NZ 3.12Å; E217-K219 PolarHBondContact OE2-NZ 3.2Å; K219-A323 HydrophobicContact CB-CB 4.01Å
220	S	91.1	Very high	87.8	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	155.3	176.6	64.6	0	0	0	0	111.3	S207 I208 S319 N416	S207-S220 WeakPolarHBondContact CA-O 3.25Å; I208-S220 PolarHBondContact N-O 3.01Å; I208-S220 PolarHBondContact O-N 3.2Å; S220-S319 WeakPolarHBondContact OG-CA 3.44Å; S220-S319 PolarHBondContact OG-O 2.93Å; S220-N416 WeakPolarHBondContact CA-OD1 3.29Å
221	T	90.2	Very high	87.7	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.9	171.2	-162.9	0	0	0	0	111.6	A147 V206 S207 V395 P397 R415 N416	A147-T221 HydrophobicContact CB-CG2 4.39Å; A147-T221 VanDerWaalsContact CB-OG1 3.32Å; A147-T221 WeakPolarHBondContact CB-OG1 3.37Å; V206-T221 WeakPolarHBondContact O-CA 3.41Å; S207-T221 PolarHBondContact OG-OG1 2.96Å; T221-V395 HydrophobicContact CG2-CG2 4.43Å; T221-P397 HydrophobicContact CG2-CB 3.88Å; T221-R415 PolarHBondContact O-NH2 2.93Å; T221-N416 PolarHBondContact N-OD1 3.25Å
222	A	87.4	Confident	87.9	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	166.1	174.3	0	0	0	0	0	109.2	V206 P315 K318 S319	V206-A222 PolarHBondContact N-O 2.93Å; V206-A222 PolarHBondContact O-N 2.93Å; A222-P315 HydrophobicContact CB-CB 4.05Å; A222-K318 HydrophobicContact CB-CB 4.32Å; A222-K318 HydrophobicContact CB-CD 4.1Å; A222-K318 HydrophobicContact CB-CG 4.36Å; A222-S319 VanDerWaalsContact CB-OG 3.26Å; A222-S319 WeakPolarHBondContact CB-OG 3.26Å; A222-S319 PolarHBondContact N-OG 3.23Å
223	G	87.7	Confident	88.2	Confident	17 Å²	17	24.2 Å²	24.2	18%	0.175	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-174.3	179.8	0	0	0	0	0	112.9	F204	F204-G223 CarbonylContact O-C 3.55Å; F204-G223 WeakPolarHBondContact O-CA 3.42Å
224	D	81.6	Confident	88.6	Confident	66 Å²	66	20.2 Å²	20.2	35%	0.353	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	118.9	171.7	-173.6	-14.1	0	0	0	109.1	F204 H226 L227	F204-D224 PolarHBondContact N-O 3.5Å; F204-D224 PolarHBondContact O-N 3.33Å; D224-H226 PolarHBondContact O-N 3.26Å; D224-H226 PolarHBondContact OD1-N 3.17Å; D224-L227 HydrophobicContact CB-CB 3.9Å
225	T	77	Confident	89.3	Confident	18 Å²	18	24 Å²	24	11%	0.11	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	0.6	-178.4	65.6	0	0	0	0	113.8	R75 Y148 G202	R75-T225 PolarHBondContact NH2-OG1 3.48Å; Y148-T225 HydrophobicContact CD1-CG2 4.24Å; G202-T225 CarbonylContact O-C 3.29Å; G202-T225 VanDerWaalsContact O-O 3.07Å
226	H	79.8	Confident	89.7	Confident	42 Å²	42	20.7 Å²	20.7	19%	0.194	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	37	178.2	-55.8	90.5	0	0	0	112.1	R71 R75 A81 D85 D224	R71-H226 PolarHBondContact NH1-CD2 3.3Å; R75-H226 PolarHBondContact NH2-CE1 3.24Å; A81-H226 WeakPolarHBondContact CB-CE1 3.28Å; A81-H226 WeakPolarHBondContact CB-NE2 3.46Å; D85-H226 IonicContact OD2-CD2 2.71Å; D85-H226 PolarHBondContact OD2-CD2 2.78Å; D85-H226 IonicContact OD2-NE2 3.94Å; D224-H226 PolarHBondContact O-N 3.26Å; D224-H226 PolarHBondContact OD1-N 3.17Å
227	L	85.9	Confident	89.9	Confident	3 Å²	3	21 Å²	21	2%	0.016	10%	0.104	C	C	.	.			trans	-129.7	109.2	173.2	-179.7	59.3	0	0	0	109.4	L199 T203 F204 D224 F232 L308 T312	L199-L227 HydrophobicContact CD1-CG 4.49Å; T203-L227 CarbonylContact C-O 3.53Å; F204-L227 HydrophobicContact CB-CB 4.06Å; F204-L227 HydrophobicContact CB-CD2 4.32Å; F204-L227 HydrophobicContact CB-CG 4.24Å; F204-L227 WeakPolarHBondContact CB-O 3.4Å; F204-L227 HydrophobicContact CD1-CD2 3.89Å; F204-L227 HydrophobicContact CG-CD2 4.33Å; F204-L227 PolarHBondContact N-O 2.95Å; D224-L227 HydrophobicContact CB-CB 3.9Å; L227-F232 HydrophobicContact CD1-CE1 4.37Å; L227-L308 HydrophobicContact CD1-CB 4.01Å; L227-L308 HydrophobicContact CD1-CD2 4.19Å; L227-T312 HydrophobicContact CD2-CG2 3.79Å; L227-T312 HydrophobicContact CG-CG2 4.46Å
228	G	90.7	Very high	90.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-166.9	-165.6	178	0	0	0	0	0	114.8	G201 E230 D231 F232	G201-G228 CarbonylContact O-C 3.5Å; G228-E230 VanDerWaalsContact C-N 3.26Å; G228-E230 PolarHBondContact O-N 2.74Å; G228-D231 PolarHBondContact N-OD2 3.27Å; G228-D231 PolarHBondContact O-N 3.39Å; G228-D231 VanDerWaalsContact O-N 3.15Å; G228-F232 WeakPolarHBondContact O-CD2 3.48Å; G228-F232 PolarHBondContact O-N 2.91Å
229	G	91.9	Very high	90.4	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-53.8	-37.2	-179.9	0	0	0	0	0	114.8	G200 G201 F232 D233 K270 S339	G200-G229 PolarHBondContact O-N 2.74Å; G201-G229 PolarHBondContact O-N 2.69Å; G229-F232 PolarHBondContact O-N 2.97Å; G229-D233 VanDerWaalsContact O-CG 3.29Å; G229-D233 PolarHBondContact O-N 3.42Å; G229-K270 PolarHBondContact O-NZ 2.96Å; G229-S339 WeakPolarHBondContact CA-OG 3.38Å; G229-S339 PolarHBondContact N-OG 3.45Å
230	E	88.9	Confident	90.6	Very high	18 Å²	18	21.7 Å²	21.7	8%	0.084	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-35.4	179.2	-78.6	156.6	-151.5	0	0	112.4	T13 R71 G201 G228 F232 D233 N234	T13-E230 PolarHBondContact OG1-OE1 3.39Å; R71-E230 IonicContact CZ-OE2 3.53Å; R71-E230 VanDerWaalsContact CZ-OE2 3.27Å; R71-E230 IonicContact NE-OE2 3.65Å; R71-E230 PolarHBondContact NE-OE2 3.14Å; R71-E230 IonicContact NH2-OE2 3.5Å; R71-E230 PolarHBondContact NH2-OE2 3.39Å; G201-E230 WeakPolarHBondContact O-CB 3.37Å; G201-E230 PolarHBondContact O-N 2.99Å; G228-E230 VanDerWaalsContact C-N 3.26Å; G228-E230 PolarHBondContact O-N 2.74Å; E230-F232 VanDerWaalsContact C-N 3.31Å; E230-F232 PolarHBondContact O-N 3.39Å; E230-D233 CarbonylContact O-C 3.6Å; E230-D233 WeakPolarHBondContact O-CB 3.44Å; E230-D233 PolarHBondContact O-N 3.38Å; E230-N234 WeakPolarHBondContact O-CB 3.38Å; E230-N234 VanDerWaalsContact O-CG 3.29Å; E230-N234 PolarHBondContact O-N 3.32Å; E230-N234 PolarHBondContact O-ND2 2.87Å
231	D	91.6	Very high	90.8	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-36.9	177.9	-56.4	-68	0	0	0	110.6	R71 G228 N234 R235 L308	R71-D231 IonicContact NH2-OD2 3.71Å; R71-D231 PolarHBondContact NH2-OD2 3.06Å; G228-D231 PolarHBondContact N-OD2 3.27Å; G228-D231 PolarHBondContact O-N 3.39Å; G228-D231 VanDerWaalsContact O-N 3.15Å; D231-N234 WeakPolarHBondContact O-CB 3.48Å; D231-N234 PolarHBondContact O-N 3.38Å; D231-R235 WeakPolarHBondContact O-CG 3.15Å; D231-R235 PolarHBondContact O-N 3.41Å; D231-R235 VanDerWaalsContact O-N 3.13Å; D231-L308 HydrophobicContact CB-CD1 4.11Å
232	F	95.3	Very high	91.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-40.4	171.1	-48.8	-35.4	0	0	0	111.9	L199 L227 G228 G229 E230 N234 R235 M236 K270 F301 C305 L308 F309 I342	L199-F232 HydrophobicContact CD2-CE2 4.23Å; L199-F232 HydrophobicContact CD2-CZ 4.26Å; L227-F232 HydrophobicContact CD1-CE1 4.37Å; G228-F232 WeakPolarHBondContact O-CD2 3.48Å; G228-F232 PolarHBondContact O-N 2.91Å; G229-F232 PolarHBondContact O-N 2.97Å; E230-F232 VanDerWaalsContact C-N 3.31Å; E230-F232 PolarHBondContact O-N 3.39Å; F232-N234 VanDerWaalsContact C-N 3.34Å; F232-R235 PolarHBondContact O-N 2.89Å; F232-M236 PolarHBondContact O-N 3.41Å; F232-K270 HydrophobicContact CB-CD 4.06Å; F232-F301 HydrophobicContact CB-CE2 4.19Å; F232-F301 HydrophobicContact CB-CZ 4.27Å; F232-C305 HydrophobicContact CD1-CB 4.26Å; F232-L308 HydrophobicContact CD1-CB 4.27Å; F232-L308 HydrophobicContact CD1-CD1 3.91Å; F232-L308 HydrophobicContact CE1-CB 3.76Å; F232-L308 HydrophobicContact CE1-CD1 4.13Å; F232-F309 HydrophobicContact CD1-CD1 4.39Å; F232-F309 AromaticContact CD1-CE1 3.81Å; F232-F309 HydrophobicContact CD1-CE1 3.81Å; F232-F309 HydrophobicContact CD2-CE1 4.26Å; F232-F309 AromaticContact CE1-CD1 3.76Å; F232-F309 HydrophobicContact CE1-CD1 3.76Å; F232-F309 AromaticContact CE1-CE1 3.56Å; F232-F309 HydrophobicContact CE1-CE1 3.56Å; F232-F309 HydrophobicContact CE2-CE1 4.05Å; F232-F309 HydrophobicContact CG-CE1 4.18Å; F232-F309 AromaticContact CZ-CD1 3.93Å; F232-F309 HydrophobicContact CZ-CD1 3.93Å; F232-F309 AromaticContact CZ-CE1 3.7Å; F232-F309 HydrophobicContact CZ-CE1 3.7Å; F232-I342 HydrophobicContact CD2-CD1 3.6Å; F232-I342 HydrophobicContact CE2-CD1 3.75Å
233	D	94.4	Very high	91.5	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.4	-65.8	-29.3	0	0	0	111.1	G229 E230 R235 M236 V237 E267 K270	G229-D233 VanDerWaalsContact O-CG 3.29Å; G229-D233 PolarHBondContact O-N 3.42Å; E230-D233 CarbonylContact O-C 3.6Å; E230-D233 WeakPolarHBondContact O-CB 3.44Å; E230-D233 PolarHBondContact O-N 3.38Å; D233-R235 VanDerWaalsContact C-N 3.33Å; D233-R235 PolarHBondContact O-N 3.08Å; D233-M236 PolarHBondContact O-N 2.66Å; D233-M236 VanDerWaalsContact O-N 3.16Å; D233-V237 WeakPolarHBondContact O-CG2 3.26Å; D233-V237 PolarHBondContact O-N 3.43Å; D233-E267 WeakPolarHBondContact OD1-CA 3.3Å; D233-K270 VanDerWaalsContact OD1-CD 3.26Å; D233-K270 WeakPolarHBondContact OD1-CD 3.4Å; D233-K270 WeakPolarHBondContact OD1-CE 3.47Å; D233-K270 IonicContact OD1-NZ 3.91Å; D233-K270 PolarHBondContact OD1-NZ 3.36Å; D233-K270 IonicContact OD2-NZ 3.32Å; D233-K270 PolarHBondContact OD2-NZ 3.03Å
234	N	92	Very high	91.9	Very high	24 Å²	24	25.9 Å²	25.9	13%	0.128	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-43.8	175.5	-77.5	-31.2	0	0	0	111.4	E230 D231 F232 M236 V237 T238 R263	E230-N234 WeakPolarHBondContact O-CB 3.38Å; E230-N234 VanDerWaalsContact O-CG 3.29Å; E230-N234 PolarHBondContact O-N 3.32Å; E230-N234 PolarHBondContact O-ND2 2.87Å; D231-N234 WeakPolarHBondContact O-CB 3.48Å; D231-N234 PolarHBondContact O-N 3.38Å; F232-N234 VanDerWaalsContact C-N 3.34Å; N234-M236 VanDerWaalsContact C-N 3.33Å; N234-M236 PolarHBondContact O-N 3.05Å; N234-V237 PolarHBondContact O-N 3.09Å; N234-T238 WeakPolarHBondContact O-CB 3.2Å; N234-T238 PolarHBondContact O-N 3.08Å; N234-T238 PolarHBondContact O-OG1 2.95Å; N234-T238 VanDerWaalsContact O-OG1 3.09Å; N234-R263 PolarHBondContact OD1-NH1 3.39Å; N234-R263 PolarHBondContact OD1-NH2 3.38Å
235	R	94.7	Very high	92.6	Very high	85 Å²	85	27.8 Å²	27.8	32%	0.321	15%	0.146	S	C	.	.	H	α-helix	trans	-59.2	-42.5	175	-66.6	-60.9	-178.8	99.7	-2.5	112.4	D231 F232 D233 H239 L304 D307 L308	D231-R235 WeakPolarHBondContact O-CG 3.15Å; D231-R235 PolarHBondContact O-N 3.41Å; D231-R235 VanDerWaalsContact O-N 3.13Å; F232-R235 PolarHBondContact O-N 2.89Å; D233-R235 VanDerWaalsContact C-N 3.33Å; D233-R235 PolarHBondContact O-N 3.08Å; R235-H239 WeakPolarHBondContact O-CB 3.33Å; R235-H239 PolarHBondContact O-N 3.4Å; R235-H239 VanDerWaalsContact O-N 3.07Å; R235-L304 PolarHBondContact NH1-O 3.14Å; R235-D307 IonicContact CZ-OD1 3.78Å; R235-D307 IonicContact CZ-OD2 2.69Å; R235-D307 IonicContact NH1-OD1 3.4Å; R235-D307 PolarHBondContact NH1-OD1 3.25Å; R235-D307 IonicContact NH1-OD2 3.46Å; R235-D307 PolarHBondContact NH1-OD2 3.36Å; R235-D307 IonicContact NH2-OD1 2.92Å; R235-D307 IonicContact NH2-OD2 2.8Å; R235-D307 PolarHBondContact NH2-OD2 2.71Å; R235-L308 HydrophobicContact CG-CD1 3.97Å
236	M	96.8	Very high	93.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-45.8	176.8	-67.6	-177.5	65.9	0	0	111.7	F232 D233 N234 T238 H239 F240 C266 A269 K270 I296 F301	F232-M236 PolarHBondContact O-N 3.41Å; D233-M236 PolarHBondContact O-N 2.66Å; D233-M236 VanDerWaalsContact O-N 3.16Å; N234-M236 VanDerWaalsContact C-N 3.33Å; N234-M236 PolarHBondContact O-N 3.05Å; M236-T238 PolarHBondContact O-N 3.45Å; M236-H239 WeakPolarHBondContact O-CB 3.32Å; M236-H239 PolarHBondContact O-N 2.87Å; M236-F240 HydrophobicContact CB-CD2 4.4Å; M236-F240 HydrophobicContact CB-CE2 4.28Å; M236-F240 HydrophobicContact CE-CE2 4Å; M236-F240 WeakPolarHBondContact O-CD2 3.38Å; M236-F240 PolarHBondContact O-N 2.97Å; M236-C266 HydrophobicContact CB-CB 3.86Å; M236-C266 HydrophobicContact CE-CB 4.27Å; M236-A269 HydrophobicContact CE-CB 3.9Å; M236-K270 HydrophobicContact SD-CB 3.86Å; M236-I296 HydrophobicContact CE-CD1 4.3Å; M236-I296 HydrophobicContact CE-CG2 4.3Å; M236-F301 HydrophobicContact CG-CD2 3.91Å; M236-F301 HydrophobicContact CG-CE2 4.2Å; M236-F301 HydrophobicContact SD-CD2 3.61Å; M236-F301 HydrophobicContact SD-CE2 3.76Å
237	V	95.4	Very high	94.2	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-49.5	178.3	171.8	0	0	0	0	110.5	D233 N234 H239 F240 V241 L259 L262 R263 C266	D233-V237 WeakPolarHBondContact O-CG2 3.26Å; D233-V237 PolarHBondContact O-N 3.43Å; N234-V237 PolarHBondContact O-N 3.09Å; V237-H239 VanDerWaalsContact C-N 3.29Å; V237-H239 PolarHBondContact O-N 2.93Å; V237-F240 PolarHBondContact O-N 3.4Å; V237-V241 HydrophobicContact CG1-CG2 4.08Å; V237-V241 WeakPolarHBondContact O-CB 3.26Å; V237-V241 VanDerWaalsContact O-CG2 3.26Å; V237-V241 WeakPolarHBondContact O-CG2 3.48Å; V237-V241 PolarHBondContact O-N 2.97Å; V237-L259 HydrophobicContact CG1-CD2 4.33Å; V237-L262 HydrophobicContact CG1-CD2 4.4Å; V237-R263 HydrophobicContact CG2-CB 3.82Å; V237-R263 HydrophobicContact CG2-CG 4.11Å; V237-C266 HydrophobicContact CG2-CB 4.17Å
238	T	95.2	Very high	94.5	Very high	91 Å²	91	39.7 Å²	39.7	56%	0.558	19%	0.194	S	C	*	.	H	α-helix	trans	-57.8	-43.2	177	-61.3	0	0	0	0	111.6	N234 M236 A242	N234-T238 WeakPolarHBondContact O-CB 3.2Å; N234-T238 PolarHBondContact O-N 3.08Å; N234-T238 PolarHBondContact O-OG1 2.95Å; N234-T238 VanDerWaalsContact O-OG1 3.09Å; M236-T238 PolarHBondContact O-N 3.45Å; T238-A242 WeakPolarHBondContact O-CB 3.28Å; T238-A242 PolarHBondContact O-N 3.11Å; T238-A242 VanDerWaalsContact O-N 3.13Å
239	H	96.9	Very high	94.6	Very high	44 Å²	44	45.3 Å²	45.3	20%	0.204	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-47.7	176.8	177.2	60.9	0	0	0	112.2	R235 M236 V237 A242 E243 L304	R235-H239 WeakPolarHBondContact O-CB 3.33Å; R235-H239 PolarHBondContact O-N 3.4Å; R235-H239 VanDerWaalsContact O-N 3.07Å; M236-H239 WeakPolarHBondContact O-CB 3.32Å; M236-H239 PolarHBondContact O-N 2.87Å; V237-H239 VanDerWaalsContact C-N 3.29Å; V237-H239 PolarHBondContact O-N 2.93Å; H239-A242 PolarHBondContact O-N 3.25Å; H239-E243 PolarHBondContact O-N 2.99Å; H239-L304 HydrophobicContact CB-CD1 3.92Å; H239-L304 HydrophobicContact CB-CD2 4.25Å
240	F	97.6	Very high	94.6	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-78.9	-26.5	-177.1	-67.2	-58.3	0	0	0	114.2	M236 V237 A242 E243 F244 L262 I281 Y292 T294 I296	M236-F240 HydrophobicContact CB-CD2 4.4Å; M236-F240 HydrophobicContact CB-CE2 4.28Å; M236-F240 HydrophobicContact CE-CE2 4Å; M236-F240 WeakPolarHBondContact O-CD2 3.38Å; M236-F240 PolarHBondContact O-N 2.97Å; V237-F240 PolarHBondContact O-N 3.4Å; F240-A242 VanDerWaalsContact C-N 3.35Å; F240-E243 PolarHBondContact O-N 3.5Å; F240-F244 VanDerWaalsContact O-CB 3.26Å; F240-F244 WeakPolarHBondContact O-CB 3.47Å; F240-F244 PolarHBondContact O-N 2.82Å; F240-L262 HydrophobicContact CB-CD1 3.96Å; F240-L262 HydrophobicContact CB-CD2 4Å; F240-L262 HydrophobicContact CB-CG 4.47Å; F240-I281 HydrophobicContact CD2-CD1 3.79Å; F240-I281 HydrophobicContact CE1-CD1 4.33Å; F240-I281 HydrophobicContact CE2-CD1 3.25Å; F240-I281 HydrophobicContact CZ-CD1 3.53Å; F240-Y292 HydrophobicContact CB-CE1 4.34Å; F240-Y292 HydrophobicContact CD1-CE1 4.45Å; F240-Y292 WeakPolarHBondContact CD1-OH 3.01Å; F240-Y292 PolarHBondContact O-OH 3.19Å; F240-T294 HydrophobicContact CD1-CG2 3.84Å; F240-T294 HydrophobicContact CE1-CG2 3.57Å; F240-T294 HydrophobicContact CZ-CG2 4.31Å; F240-I296 HydrophobicContact CE2-CD1 4.24Å; F240-I296 HydrophobicContact CZ-CB 3.82Å; F240-I296 HydrophobicContact CZ-CD1 3.81Å; F240-I296 HydrophobicContact CZ-CG1 4.36Å; F240-I296 HydrophobicContact CZ-CG2 3.98Å
241	V	96.1	Very high	94.7	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.127	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-45.4	168.1	169.4	0	0	0	0	109.9	V237 F244 K245 M252 L259 L262	V237-V241 HydrophobicContact CG1-CG2 4.08Å; V237-V241 WeakPolarHBondContact O-CB 3.26Å; V237-V241 VanDerWaalsContact O-CG2 3.26Å; V237-V241 WeakPolarHBondContact O-CG2 3.48Å; V237-V241 PolarHBondContact O-N 2.97Å; V241-F244 PolarHBondContact O-N 3.04Å; V241-K245 WeakPolarHBondContact O-CB 3.44Å; V241-K245 PolarHBondContact O-N 2.74Å; V241-M252 HydrophobicContact CG1-CG 4.47Å; V241-M252 HydrophobicContact CG2-CE 4.17Å; V241-M252 HydrophobicContact CG2-CG 4.43Å; V241-L259 HydrophobicContact CG2-CD2 3.59Å; V241-L262 HydrophobicContact CG2-CD2 3.75Å
242	A	96.4	Very high	94.7	Very high	59 Å²	59	49.7 Å²	49.7	49%	0.488	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-39.9	176.1	0	0	0	0	0	112.1	T238 H239 F240 R246	T238-A242 WeakPolarHBondContact O-CB 3.28Å; T238-A242 PolarHBondContact O-N 3.11Å; T238-A242 VanDerWaalsContact O-N 3.13Å; H239-A242 PolarHBondContact O-N 3.25Å; F240-A242 VanDerWaalsContact C-N 3.35Å; A242-R246 VanDerWaalsContact O-CB 3.31Å; A242-R246 WeakPolarHBondContact O-CB 3.36Å; A242-R246 PolarHBondContact O-N 3.18Å
243	E	96	Very high	94.4	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-47	173.8	175.6	166.2	105.7	0	0	112.2	H239 F240 K245 R246 K247 Y292 T294	H239-E243 PolarHBondContact O-N 2.99Å; F240-E243 PolarHBondContact O-N 3.5Å; E243-K245 VanDerWaalsContact C-N 3.32Å; E243-K245 PolarHBondContact O-N 3.41Å; E243-R246 WeakPolarHBondContact O-CB 3.28Å; E243-R246 PolarHBondContact O-N 3.37Å; E243-R246 VanDerWaalsContact O-N 3.14Å; E243-R246 IonicContact OE2-NH2 3.47Å; E243-R246 PolarHBondContact OE2-NH2 2.79Å; E243-K247 VanDerWaalsContact CD-CE 3.44Å; E243-K247 HydrophobicContact CG-CD 3.74Å; E243-K247 HydrophobicContact CG-CG 4.12Å; E243-K247 WeakPolarHBondContact O-CB 3.34Å; E243-K247 WeakPolarHBondContact O-CG 3.38Å; E243-K247 PolarHBondContact O-N 2.79Å; E243-K247 WeakPolarHBondContact OE1-CE 3.38Å; E243-K247 IonicContact OE1-NZ 3.78Å; E243-K247 PolarHBondContact OE1-NZ 3.27Å; E243-K247 IonicContact OE2-NZ 3.97Å; E243-Y292 WeakPolarHBondContact CG-OH 3.31Å; E243-Y292 PolarHBondContact OE1-OH 3.43Å; E243-T294 WeakPolarHBondContact OE1-CB 3.2Å; E243-T294 PolarHBondContact OE1-OG1 2.78Å
244	F	96.2	Very high	94.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-47.6	177.2	-176.3	-83.4	0	0	0	110.4	F240 V241 R246 K247 N248 K250 M252 L286 Y287 I290 Y292	F240-F244 VanDerWaalsContact O-CB 3.26Å; F240-F244 WeakPolarHBondContact O-CB 3.47Å; F240-F244 PolarHBondContact O-N 2.82Å; V241-F244 PolarHBondContact O-N 3.04Å; F244-R246 VanDerWaalsContact C-N 3.31Å; F244-R246 PolarHBondContact O-N 2.93Å; F244-K247 PolarHBondContact O-N 3.03Å; F244-N248 HydrophobicContact CD1-CB 4.38Å; F244-N248 VanDerWaalsContact CD2-ND2 3.26Å; F244-N248 WeakPolarHBondContact CD2-ND2 3.47Å; F244-N248 HydrophobicContact CE1-CB 4.07Å; F244-N248 WeakPolarHBondContact CE2-ND2 3.41Å; F244-N248 HydrophobicContact CZ-CB 4.18Å; F244-N248 WeakPolarHBondContact O-CB 3.48Å; F244-N248 PolarHBondContact O-N 3.34Å; F244-N248 PolarHBondContact O-ND2 2.69Å; F244-K250 WeakPolarHBondContact CD1-O 3.32Å; F244-K250 HydrophobicContact CE1-CB 4.11Å; F244-M252 HydrophobicContact CB-SD 4.06Å; F244-M252 HydrophobicContact CD1-CB 4.39Å; F244-M252 HydrophobicContact CD1-CG 4.01Å; F244-M252 HydrophobicContact CD1-SD 3.95Å; F244-M252 HydrophobicContact CD2-SD 4.12Å; F244-M252 HydrophobicContact CE1-CB 4.41Å; F244-M252 HydrophobicContact CE1-CG 4.5Å; F244-M252 HydrophobicContact CE1-SD 4.47Å; F244-M252 HydrophobicContact CG-CG 4.39Å; F244-M252 HydrophobicContact CG-SD 3.76Å; F244-L286 HydrophobicContact CD2-CD2 4Å; F244-L286 HydrophobicContact CE2-CD2 4.16Å; F244-Y287 AromaticContact CE1-CD1 3.97Å; F244-Y287 HydrophobicContact CE1-CD1 3.97Å; F244-Y287 HydrophobicContact CZ-CD1 4.24Å; F244-I290 HydrophobicContact CE2-CB 4.44Å; F244-I290 HydrophobicContact CE2-CG2 4.09Å; F244-I290 HydrophobicContact CZ-CB 4.22Å; F244-I290 HydrophobicContact CZ-CD1 4.27Å; F244-I290 HydrophobicContact CZ-CG2 4.2Å; F244-Y292 HydrophobicContact CB-CE2 4.08Å; F244-Y292 AromaticContact CD2-CD2 3.49Å; F244-Y292 HydrophobicContact CD2-CD2 3.49Å; F244-Y292 VanDerWaalsContact CD2-CD2 3.49Å; F244-Y292 AromaticContact CD2-CE2 3.88Å; F244-Y292 HydrophobicContact CD2-CE2 3.88Å; F244-Y292 AromaticContact CD2-CG 4Å; F244-Y292 HydrophobicContact CD2-CG 4Å; F244-Y292 HydrophobicContact CE2-CD2 4.17Å; F244-Y292 HydrophobicContact CG-CD2 4.48Å; F244-Y292 HydrophobicContact CG-CE2 4.47Å
245	K	95.4	Very high	93.9	Very high	105 Å²	105	57.1 Å²	57.1	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-41	175.9	-172.9	172.9	-175.9	166	0	112.2	V241 E243 K249 K250 D251	V241-K245 WeakPolarHBondContact O-CB 3.44Å; V241-K245 PolarHBondContact O-N 2.74Å; E243-K245 VanDerWaalsContact C-N 3.32Å; E243-K245 PolarHBondContact O-N 3.41Å; K245-K249 WeakPolarHBondContact O-CA 3.37Å; K245-K249 PolarHBondContact O-N 3.46Å; K245-K250 VanDerWaalsContact CA-O 3.31Å; K245-K250 WeakPolarHBondContact CA-O 3.41Å; K245-D251 HydrophobicContact CD-CB 4.21Å; K245-D251 IonicContact NZ-OD2 3.86Å; K245-D251 PolarHBondContact NZ-OD2 3.37Å
246	R	95.4	Very high	93.6	Very high	167 Å²	167	55 Å²	55	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-67.7	-42.2	177.3	-176.5	-176	61.8	78.4	-1.6	112.6	A242 E243 F244	A242-R246 VanDerWaalsContact O-CB 3.31Å; A242-R246 WeakPolarHBondContact O-CB 3.36Å; A242-R246 PolarHBondContact O-N 3.18Å; E243-R246 WeakPolarHBondContact O-CB 3.28Å; E243-R246 PolarHBondContact O-N 3.37Å; E243-R246 VanDerWaalsContact O-N 3.14Å; E243-R246 IonicContact OE2-NH2 3.47Å; E243-R246 PolarHBondContact OE2-NH2 2.79Å; F244-R246 VanDerWaalsContact C-N 3.31Å; F244-R246 PolarHBondContact O-N 2.93Å
247	K	94.7	Very high	93.2	Very high	94 Å²	94	61.4 Å²	61.4	41%	0.409	32%	0.321	S	S	.	.	H	α-helix	trans	-75.9	-40.7	-177.8	-74.6	-180	174.8	170.4	0	112.1	E243 F244 T294	E243-K247 VanDerWaalsContact CD-CE 3.44Å; E243-K247 HydrophobicContact CG-CD 3.74Å; E243-K247 HydrophobicContact CG-CG 4.12Å; E243-K247 WeakPolarHBondContact O-CB 3.34Å; E243-K247 WeakPolarHBondContact O-CG 3.38Å; E243-K247 PolarHBondContact O-N 2.79Å; E243-K247 WeakPolarHBondContact OE1-CE 3.38Å; E243-K247 IonicContact OE1-NZ 3.78Å; E243-K247 PolarHBondContact OE1-NZ 3.27Å; E243-K247 IonicContact OE2-NZ 3.97Å; F244-K247 PolarHBondContact O-N 3.03Å; K247-T294 PolarHBondContact NZ-OG1 2.71Å
248	N	93	Very high	93.1	Very high	52 Å²	52	61 Å²	61	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-110.8	-5.2	-168.9	-59.5	-49	0	0	0	114.2	F244 K250 I290	F244-N248 HydrophobicContact CD1-CB 4.38Å; F244-N248 VanDerWaalsContact CD2-ND2 3.26Å; F244-N248 WeakPolarHBondContact CD2-ND2 3.47Å; F244-N248 HydrophobicContact CE1-CB 4.07Å; F244-N248 WeakPolarHBondContact CE2-ND2 3.41Å; F244-N248 HydrophobicContact CZ-CB 4.18Å; F244-N248 WeakPolarHBondContact O-CB 3.48Å; F244-N248 PolarHBondContact O-N 3.34Å; F244-N248 PolarHBondContact O-ND2 2.69Å; N248-K250 PolarHBondContact O-N 3.32Å; N248-K250 VanDerWaalsContact O-N 3.09Å; N248-I290 HydrophobicContact CB-CD1 4.15Å
249	K	92.7	Very high	92.9	Very high	118 Å²	118	59 Å²	59	51%	0.513	30%	0.304	S	S	.	.	S	Bend	trans	55.2	23.1	-176.6	-56.4	179.7	-175	171	0	114.2	K245 E1138	K245-K249 WeakPolarHBondContact O-CA 3.37Å; K245-K249 PolarHBondContact O-N 3.46Å; K249-E1138 VanDerWaalsContact CE-OE2 3.32Å; K249-E1138 WeakPolarHBondContact CE-OE2 3.31Å; K249-E1138 VanDerWaalsContact NZ-CD 3.32Å; K249-E1138 IonicContact NZ-OE1 3.8Å; K249-E1138 IonicContact NZ-OE2 3.67Å; K249-E1138 PolarHBondContact NZ-OE2 3.4Å
250	K	91.2	Very high	92.6	Very high	76 Å²	76	57.3 Å²	57.3	33%	0.33	30%	0.296	S	S	.	.			trans	-122.8	139.6	178.2	-70.1	-168.1	-178.1	-175.5	0	110.2	F244 K245 N248 Y287 E288 I290	F244-K250 WeakPolarHBondContact CD1-O 3.32Å; F244-K250 HydrophobicContact CE1-CB 4.11Å; K245-K250 VanDerWaalsContact CA-O 3.31Å; K245-K250 WeakPolarHBondContact CA-O 3.41Å; N248-K250 PolarHBondContact O-N 3.32Å; N248-K250 VanDerWaalsContact O-N 3.09Å; K250-Y287 HydrophobicContact CB-CD1 4.24Å; K250-Y287 HydrophobicContact CB-CE1 4.07Å; K250-Y287 HydrophobicContact CD-CE1 4.4Å; K250-E288 VanDerWaalsContact CD-OE2 3.26Å; K250-E288 WeakPolarHBondContact CD-OE2 3.4Å; K250-E288 VanDerWaalsContact CE-OE2 3.25Å; K250-E288 WeakPolarHBondContact CE-OE2 3.37Å; K250-E288 IonicContact NZ-OE2 3.65Å; K250-E288 PolarHBondContact NZ-OE2 2.86Å; K250-I290 HydrophobicContact CD-CD1 3.84Å
251	D	92.1	Very high	92.4	Very high	61 Å²	61	60.6 Å²	60.6	33%	0.326	31%	0.309	S	S	.	.			trans	-102.1	105.1	-178.5	-163.2	-17.9	0	0	0	110.8	K245 S253	K245-D251 HydrophobicContact CD-CB 4.21Å; K245-D251 IonicContact NZ-OD2 3.86Å; K245-D251 PolarHBondContact NZ-OD2 3.37Å; D251-S253 VanDerWaalsContact C-N 3.29Å; D251-S253 VanDerWaalsContact CG-OG 3.25Å; D251-S253 WeakPolarHBondContact OD1-CB 3.25Å; D251-S253 PolarHBondContact OD1-N 3.34Å; D251-S253 PolarHBondContact OD1-OG 3.42Å
252	M	92.2	Very high	92.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-82.3	-2.9	178.7	60.5	176.9	-90.9	0	0	113.7	V241 F244 G254 N255 A258 L259 L262 L286 Y287	V241-M252 HydrophobicContact CG1-CG 4.47Å; V241-M252 HydrophobicContact CG2-CE 4.17Å; V241-M252 HydrophobicContact CG2-CG 4.43Å; F244-M252 HydrophobicContact CB-SD 4.06Å; F244-M252 HydrophobicContact CD1-CB 4.39Å; F244-M252 HydrophobicContact CD1-CG 4.01Å; F244-M252 HydrophobicContact CD1-SD 3.95Å; F244-M252 HydrophobicContact CD2-SD 4.12Å; F244-M252 HydrophobicContact CE1-CB 4.41Å; F244-M252 HydrophobicContact CE1-CG 4.5Å; F244-M252 HydrophobicContact CE1-SD 4.47Å; F244-M252 HydrophobicContact CG-CG 4.39Å; F244-M252 HydrophobicContact CG-SD 3.76Å; M252-G254 PolarHBondContact O-N 3.3Å; M252-G254 VanDerWaalsContact O-N 3.17Å; M252-N255 PolarHBondContact O-N 3.05Å; M252-A258 HydrophobicContact CB-CB 4.41Å; M252-A258 HydrophobicContact CE-CB 4.21Å; M252-L259 HydrophobicContact CE-CD2 4.08Å; M252-L262 HydrophobicContact CE-CB 3.84Å; M252-L262 HydrophobicContact CE-CD2 3.45Å; M252-L262 VanDerWaalsContact CE-CD2 3.45Å; M252-L262 HydrophobicContact CE-CG 4.27Å; M252-L262 HydrophobicContact SD-CD2 4.26Å; M252-L286 HydrophobicContact CE-CD1 4.28Å; M252-L286 HydrophobicContact CE-CD2 4.12Å; M252-L286 HydrophobicContact CE-CG 4.33Å; M252-L286 HydrophobicContact SD-CD2 3.8Å; M252-L286 HydrophobicContact SD-CG 4.23Å; M252-Y287 HydrophobicContact CB-CD1 4.02Å; M252-Y287 HydrophobicContact CB-CD2 4.06Å; M252-Y287 HydrophobicContact CB-CE1 4.49Å; M252-Y287 HydrophobicContact CB-CG 3.76Å
253	S	88.5	Confident	92.2	Very high	63 Å²	63	58.4 Å²	58.4	44%	0.441	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.6	-23.5	-174.6	60.7	0	0	0	0	114.1	D251 N255 L259	D251-S253 VanDerWaalsContact C-N 3.29Å; D251-S253 VanDerWaalsContact CG-OG 3.25Å; D251-S253 WeakPolarHBondContact OD1-CB 3.25Å; D251-S253 PolarHBondContact OD1-N 3.34Å; D251-S253 PolarHBondContact OD1-OG 3.42Å; S253-N255 VanDerWaalsContact C-N 3.33Å; S253-L259 WeakPolarHBondContact O-CD1 3.2Å
254	G	87.4	Confident	91.9	Very high	70 Å²	70	59.5 Å²	59.5	72%	0.722	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-82.4	-1	174.6	0	0	0	0	0	115	M252 P256	M252-G254 PolarHBondContact O-N 3.3Å; M252-G254 VanDerWaalsContact O-N 3.17Å; G254-P256 WeakPolarHBondContact O-CD 3.35Å
255	N	89	Confident	91.9	Very high	56 Å²	56	60.4 Å²	60.4	30%	0.299	30%	0.302	S	S	.	.			trans	-111	102.9	-176.7	-172.2	-53.4	0	0	0	111.3	M252 S253 R257 A258 L259 Y287	M252-N255 PolarHBondContact O-N 3.05Å; S253-N255 VanDerWaalsContact C-N 3.33Å; N255-R257 VanDerWaalsContact C-N 3.3Å; N255-R257 PolarHBondContact O-N 3.2Å; N255-R257 WeakPolarHBondContact OD1-CB 3.5Å; N255-R257 PolarHBondContact OD1-N 3.47Å; N255-R257 VanDerWaalsContact OD1-N 3.13Å; N255-A258 HydrophobicContact CB-CB 3.94Å; N255-A258 PolarHBondContact O-N 3.33Å; N255-A258 PolarHBondContact OD1-N 3.42Å; N255-L259 PolarHBondContact O-N 2.8Å; N255-Y287 HydrophobicContact CB-CD2 3.98Å; N255-Y287 HydrophobicContact CB-CE2 3.76Å
256	P	87.5	Confident	91.9	Very high	40 Å²	40	55.4 Å²	55.4	26%	0.26	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-38	-178	-26.9	35.6	0	0	0	113.6	P62 P90 G254 R260	P62-P256 HydrophobicContact CB-CB 4.28Å; P62-P256 HydrophobicContact CG-CB 4.13Å; P90-P256 HydrophobicContact CB-CB 4.2Å; G254-P256 WeakPolarHBondContact O-CD 3.35Å; P256-R260 VanDerWaalsContact O-CB 3.27Å; P256-R260 WeakPolarHBondContact O-CB 3.33Å; P256-R260 PolarHBondContact O-N 2.9Å
257	R	89.1	Confident	91.8	Very high	135 Å²	135	48.1 Å²	48.1	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-48.2	177.9	172.3	167.7	-174.5	-159	1.9	111.4	A59 N255 R260 R261	A59-R257 WeakPolarHBondContact O-CD 3.4Å; A59-R257 WeakPolarHBondContact O-CG 3.37Å; N255-R257 VanDerWaalsContact C-N 3.3Å; N255-R257 PolarHBondContact O-N 3.2Å; N255-R257 WeakPolarHBondContact OD1-CB 3.5Å; N255-R257 PolarHBondContact OD1-N 3.47Å; N255-R257 VanDerWaalsContact OD1-N 3.13Å; R257-R260 PolarHBondContact O-N 2.62Å; R257-R261 VanDerWaalsContact O-CG 3.32Å; R257-R261 WeakPolarHBondContact O-CG 3.43Å; R257-R261 PolarHBondContact O-N 3.32Å
258	A	91.9	Very high	91.8	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-47	177.7	0	0	0	0	0	111.3	M252 N255 R260 R261 L262 L286 Y287	M252-A258 HydrophobicContact CB-CB 4.41Å; M252-A258 HydrophobicContact CE-CB 4.21Å; N255-A258 HydrophobicContact CB-CB 3.94Å; N255-A258 PolarHBondContact O-N 3.33Å; N255-A258 PolarHBondContact OD1-N 3.42Å; A258-R260 VanDerWaalsContact C-N 3.32Å; A258-R260 PolarHBondContact O-N 2.96Å; A258-R261 PolarHBondContact O-N 3.44Å; A258-L262 PolarHBondContact O-N 2.68Å; A258-L286 HydrophobicContact CB-CD1 4.33Å; A258-L286 VanDerWaalsContact CB-O 3.24Å; A258-L286 WeakPolarHBondContact CB-O 3.28Å; A258-L286 WeakPolarHBondContact O-CD1 3.32Å; A258-Y287 HydrophobicContact CB-CD2 4.21Å
259	L	92.6	Very high	91.9	Very high	48 Å²	48	50.1 Å²	50.1	25%	0.251	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-42.9	176.2	-77.7	179.1	0	0	0	112.2	V237 V241 M252 S253 N255 L262 R263	V237-L259 HydrophobicContact CG1-CD2 4.33Å; V241-L259 HydrophobicContact CG2-CD2 3.59Å; M252-L259 HydrophobicContact CE-CD2 4.08Å; S253-L259 WeakPolarHBondContact O-CD1 3.2Å; N255-L259 PolarHBondContact O-N 2.8Å; L259-L262 PolarHBondContact O-N 2.88Å; L259-R263 WeakPolarHBondContact O-CB 3.48Å; L259-R263 PolarHBondContact O-N 2.9Å
260	R	90.2	Very high	92.1	Very high	9 Å²	9	45.4 Å²	45.4	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-42.9	179.4	-174.7	65.5	-161.7	-176.2	3.9	112	Y40 V58 P256 R257 A258 L262 R263 T264	Y40-R260 VanDerWaalsContact CE1-NH2 3.26Å; Y40-R260 PolarHBondContact OH-NH1 3.26Å; Y40-R260 PolarHBondContact OH-NH2 3.17Å; V58-R260 HydrophobicContact CB-CG 4.44Å; V58-R260 HydrophobicContact CG1-CG 3.81Å; V58-R260 VanDerWaalsContact CG1-NE 3.28Å; V58-R260 HydrophobicContact CG2-CG 3.97Å; P256-R260 VanDerWaalsContact O-CB 3.27Å; P256-R260 WeakPolarHBondContact O-CB 3.33Å; P256-R260 PolarHBondContact O-N 2.9Å; R257-R260 PolarHBondContact O-N 2.62Å; A258-R260 VanDerWaalsContact C-N 3.32Å; A258-R260 PolarHBondContact O-N 2.96Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-L262 PolarHBondContact O-N 3.09Å; R260-R263 PolarHBondContact O-N 3.3Å; R260-T264 PolarHBondContact O-N 3.48Å; R260-T264 PolarHBondContact O-OG1 2.82Å; R260-T264 VanDerWaalsContact O-OG1 3.12Å
261	R	92.7	Very high	92.2	Very high	70 Å²	70	47.8 Å²	47.8	26%	0.264	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-44.2	174.9	-69.7	177.3	73.4	-155	0.7	111.5	A59 R257 A258 T264 A265 I283 D284 S285 L286	A59-R261 HydrophobicContact CB-CG 3.96Å; R257-R261 VanDerWaalsContact O-CG 3.32Å; R257-R261 WeakPolarHBondContact O-CG 3.43Å; R257-R261 PolarHBondContact O-N 3.32Å; A258-R261 PolarHBondContact O-N 3.44Å; R261-T264 PolarHBondContact O-N 2.65Å; R261-A265 PolarHBondContact O-N 2.87Å; R261-A265 VanDerWaalsContact O-N 3.1Å; R261-I283 HydrophobicContact CB-CG2 4.4Å; R261-D284 VanDerWaalsContact CZ-O 3.28Å; R261-D284 PolarHBondContact NH1-O 2.88Å; R261-D284 PolarHBondContact NH2-O 3.01Å; R261-S285 PolarHBondContact NH1-O 3.22Å; R261-L286 HydrophobicContact CB-CD1 4.18Å
262	L	95.1	Very high	92.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-43.6	175.5	179.1	62.4	0	0	0	112	V237 F240 V241 M252 A258 L259 R260 A265 C266 I283 L286 Y292	V237-L262 HydrophobicContact CG1-CD2 4.4Å; F240-L262 HydrophobicContact CB-CD1 3.96Å; F240-L262 HydrophobicContact CB-CD2 4Å; F240-L262 HydrophobicContact CB-CG 4.47Å; V241-L262 HydrophobicContact CG2-CD2 3.75Å; M252-L262 HydrophobicContact CE-CB 3.84Å; M252-L262 HydrophobicContact CE-CD2 3.45Å; M252-L262 VanDerWaalsContact CE-CD2 3.45Å; M252-L262 HydrophobicContact CE-CG 4.27Å; M252-L262 HydrophobicContact SD-CD2 4.26Å; A258-L262 PolarHBondContact O-N 2.68Å; L259-L262 PolarHBondContact O-N 2.88Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-L262 PolarHBondContact O-N 3.09Å; L262-A265 PolarHBondContact O-N 2.69Å; L262-C266 PolarHBondContact O-N 2.88Å; L262-C266 PolarHBondContact O-SG 3.09Å; L262-I283 HydrophobicContact CB-CD1 4.35Å; L262-I283 HydrophobicContact CD1-CD1 4.01Å; L262-L286 HydrophobicContact CB-CD1 4.26Å; L262-Y292 HydrophobicContact CD1-CE1 4.29Å
263	R	92.8	Very high	92.5	Very high	34 Å²	34	47.7 Å²	47.7	13%	0.128	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-47.8	176.8	-177.5	-179.1	-64.9	-74.5	5.8	112.1	N234 V237 L259 R260 A265 C266 E267	N234-R263 PolarHBondContact OD1-NH1 3.39Å; N234-R263 PolarHBondContact OD1-NH2 3.38Å; V237-R263 HydrophobicContact CG2-CB 3.82Å; V237-R263 HydrophobicContact CG2-CG 4.11Å; L259-R263 WeakPolarHBondContact O-CB 3.48Å; L259-R263 PolarHBondContact O-N 2.9Å; R260-R263 PolarHBondContact O-N 3.3Å; R263-A265 VanDerWaalsContact C-N 3.25Å; R263-A265 PolarHBondContact O-N 3.39Å; R263-C266 WeakPolarHBondContact O-CB 3.38Å; R263-C266 PolarHBondContact O-N 2.86Å; R263-C266 VanDerWaalsContact O-N 3.08Å; R263-E267 PolarHBondContact O-N 3.26Å
264	T	91.1	Very high	92.8	Very high	50 Å²	50	46.2 Å²	46.2	31%	0.307	23%	0.232	S	C	.	.	H	α-helix	trans	-58	-40	175.9	-58.4	0	0	0	0	111.4	R260 R261 R268	R260-T264 PolarHBondContact O-N 3.48Å; R260-T264 PolarHBondContact O-OG1 2.82Å; R260-T264 VanDerWaalsContact O-OG1 3.12Å; R261-T264 PolarHBondContact O-N 2.65Å; T264-R268 PolarHBondContact O-N 2.71Å; T264-R268 VanDerWaalsContact O-N 3.1Å
265	A	94.6	Very high	93	Very high	19 Å²	19	47.6 Å²	47.6	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-69.7	-36.3	175.6	0	0	0	0	0	112.7	R261 L262 R263 R268 A269 I281 I283	R261-A265 PolarHBondContact O-N 2.87Å; R261-A265 VanDerWaalsContact O-N 3.1Å; L262-A265 PolarHBondContact O-N 2.69Å; R263-A265 VanDerWaalsContact C-N 3.25Å; R263-A265 PolarHBondContact O-N 3.39Å; A265-R268 PolarHBondContact O-N 3.3Å; A265-A269 WeakPolarHBondContact O-CB 3.42Å; A265-A269 PolarHBondContact O-N 3.23Å; A265-I281 HydrophobicContact CB-CG2 3.94Å; A265-I283 HydrophobicContact CB-CD1 3.57Å; A265-I283 HydrophobicContact CB-CG1 3.94Å
266	C	96.1	Very high	93.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-45.8	174.2	-67.7	0	0	0	0	111.7	M236 V237 L262 R263 R268 A269 K270	M236-C266 HydrophobicContact CB-CB 3.86Å; M236-C266 HydrophobicContact CE-CB 4.27Å; V237-C266 HydrophobicContact CG2-CB 4.17Å; L262-C266 PolarHBondContact O-N 2.88Å; L262-C266 PolarHBondContact O-SG 3.09Å; R263-C266 WeakPolarHBondContact O-CB 3.38Å; R263-C266 PolarHBondContact O-N 2.86Å; R263-C266 VanDerWaalsContact O-N 3.08Å; C266-R268 VanDerWaalsContact C-N 3.3Å; C266-R268 PolarHBondContact O-N 2.69Å; C266-A269 PolarHBondContact O-N 2.8Å; C266-K270 WeakPolarHBondContact O-CB 3.32Å; C266-K270 PolarHBondContact O-N 3.5Å
267	E	93.8	Very high	93.4	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.065	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-45.1	175.1	-175.8	-165.8	162.6	0	0	110.4	K55 D233 R263 K270 R271	K55-E267 IonicContact NZ-OE1 3.84Å; K55-E267 PolarHBondContact NZ-OE1 2.99Å; K55-E267 IonicContact NZ-OE2 2.8Å; D233-E267 WeakPolarHBondContact OD1-CA 3.3Å; R263-E267 PolarHBondContact O-N 3.26Å; E267-K270 PolarHBondContact O-N 3.44Å; E267-R271 WeakPolarHBondContact O-CG 3.28Å; E267-R271 PolarHBondContact O-N 3.01Å; E267-R271 IonicContact OE1-CZ 2.68Å; E267-R271 IonicContact OE1-NE 3.2Å; E267-R271 IonicContact OE1-NH1 3.64Å; E267-R271 IonicContact OE1-NH2 3.92Å; E267-R271 PolarHBondContact OE1-NH2 3.24Å
268	R	93.7	Very high	93.5	Very high	186 Å²	186	48.7 Å²	48.7	70%	0.702	25%	0.249	S	C	*	.	H	α-helix	trans	-62.5	-46.4	176.1	-175.2	-178.6	-75.7	-175.7	-3.6	111.6	T264 A265 C266 R271 T272	T264-R268 PolarHBondContact O-N 2.71Å; T264-R268 VanDerWaalsContact O-N 3.1Å; A265-R268 PolarHBondContact O-N 3.3Å; C266-R268 VanDerWaalsContact C-N 3.3Å; C266-R268 PolarHBondContact O-N 2.69Å; R268-R271 PolarHBondContact O-N 3.48Å; R268-T272 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-OG1 3.04Å
269	A	95.7	Very high	93.7	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-45.1	177.5	0	0	0	0	0	111.6	M236 A265 C266 R271 T272 L273 A279 I281	M236-A269 HydrophobicContact CE-CB 3.9Å; A265-A269 WeakPolarHBondContact O-CB 3.42Å; A265-A269 PolarHBondContact O-N 3.23Å; C266-A269 PolarHBondContact O-N 2.8Å; A269-R271 VanDerWaalsContact C-N 3.32Å; A269-R271 PolarHBondContact O-N 2.74Å; A269-T272 WeakPolarHBondContact O-CB 3.38Å; A269-T272 PolarHBondContact O-N 2.79Å; A269-T272 VanDerWaalsContact O-N 3.13Å; A269-L273 VanDerWaalsContact O-CG 3.29Å; A269-L273 WeakPolarHBondContact O-CG 3.43Å; A269-L273 PolarHBondContact O-N 3.48Å; A269-A279 HydrophobicContact CB-CB 3.95Å; A269-I281 HydrophobicContact CB-CD1 3.96Å; A269-I281 HydrophobicContact CB-CG1 3.76Å
270	K	96.6	Very high	93.8	Very high	19 Å²	19	49.7 Å²	49.7	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-52.9	-48.8	173.9	179.9	-174.9	72.4	-165.3	0	111.4	G229 F232 D233 M236 C266 E267 T272 L273 S274 F301	G229-K270 PolarHBondContact O-NZ 2.96Å; F232-K270 HydrophobicContact CB-CD 4.06Å; D233-K270 VanDerWaalsContact OD1-CD 3.26Å; D233-K270 WeakPolarHBondContact OD1-CD 3.4Å; D233-K270 WeakPolarHBondContact OD1-CE 3.47Å; D233-K270 IonicContact OD1-NZ 3.91Å; D233-K270 PolarHBondContact OD1-NZ 3.36Å; D233-K270 IonicContact OD2-NZ 3.32Å; D233-K270 PolarHBondContact OD2-NZ 3.03Å; M236-K270 HydrophobicContact SD-CB 3.86Å; C266-K270 WeakPolarHBondContact O-CB 3.32Å; C266-K270 PolarHBondContact O-N 3.5Å; E267-K270 PolarHBondContact O-N 3.44Å; K270-T272 PolarHBondContact O-N 3.02Å; K270-L273 PolarHBondContact O-N 2.88Å; K270-S274 PolarHBondContact O-N 3.28Å; K270-S274 PolarHBondContact O-OG 2.87Å; K270-F301 HydrophobicContact CD-CE2 4.47Å; K270-F301 HydrophobicContact CD-CZ 4.27Å; K270-F301 HydrophobicContact CG-CE2 4.1Å; K270-F301 HydrophobicContact CG-CZ 3.83Å
271	R	94.2	Very high	94.1	Very high	126 Å²	126	49.4 Å²	49.4	48%	0.475	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-44	177	-72.2	179.9	179.3	172.2	7.9	112.1	Y14 E267 R268 A269 L273 S274	Y14-R271 VanDerWaalsContact CE2-NH2 3.31Å; Y14-R271 PolarHBondContact OH-NH1 3.07Å; Y14-R271 PolarHBondContact OH-NH2 3.19Å; E267-R271 WeakPolarHBondContact O-CG 3.28Å; E267-R271 PolarHBondContact O-N 3.01Å; E267-R271 IonicContact OE1-CZ 2.68Å; E267-R271 IonicContact OE1-NE 3.2Å; E267-R271 IonicContact OE1-NH1 3.64Å; E267-R271 IonicContact OE1-NH2 3.92Å; E267-R271 PolarHBondContact OE1-NH2 3.24Å; R268-R271 PolarHBondContact O-N 3.48Å; A269-R271 VanDerWaalsContact C-N 3.32Å; A269-R271 PolarHBondContact O-N 2.74Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.91Å; R271-S274 WeakPolarHBondContact O-CB 3.41Å; R271-S274 PolarHBondContact O-N 2.93Å; R271-S274 VanDerWaalsContact O-N 3.16Å
272	T	94.8	Very high	94.2	Very high	56 Å²	56	52.1 Å²	52.1	34%	0.344	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-39.5	175.4	-59.8	0	0	0	0	111.7	R268 A269 K270 S274 S275 S276 A279	R268-T272 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-OG1 3.04Å; A269-T272 WeakPolarHBondContact O-CB 3.38Å; A269-T272 PolarHBondContact O-N 2.79Å; A269-T272 VanDerWaalsContact O-N 3.13Å; K270-T272 PolarHBondContact O-N 3.02Å; T272-S274 PolarHBondContact O-N 2.62Å; T272-S275 PolarHBondContact O-N 2.87Å; T272-S275 VanDerWaalsContact O-N 3.15Å; T272-S275 PolarHBondContact O-OG 2.92Å; T272-S276 WeakPolarHBondContact O-CB 3.45Å; T272-S276 PolarHBondContact O-N 2.71Å; T272-A279 HydrophobicContact CG2-CB 3.88Å
273	L	96.3	Very high	94.2	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-21.3	178	-68.1	175.6	0	0	0	113.3	A269 K270 R271 S275 S276 A279 I296 R298 F301	A269-L273 VanDerWaalsContact O-CG 3.29Å; A269-L273 WeakPolarHBondContact O-CG 3.43Å; A269-L273 PolarHBondContact O-N 3.48Å; K270-L273 PolarHBondContact O-N 2.88Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.91Å; L273-S275 PolarHBondContact O-N 3.43Å; L273-S276 CarbonylContact C-O 3.55Å; L273-S276 WeakPolarHBondContact CA-O 3.49Å; L273-A279 HydrophobicContact CD2-CB 3.91Å; L273-A279 HydrophobicContact CG-CB 3.97Å; L273-I296 HydrophobicContact CD1-CG2 4.11Å; L273-R298 HydrophobicContact CD2-CB 4.17Å; L273-R298 VanDerWaalsContact O-CZ 3.31Å; L273-R298 PolarHBondContact O-NE 3.04Å; L273-R298 PolarHBondContact O-NH2 3.11Å; L273-F301 HydrophobicContact CD1-CB 3.56Å; L273-F301 HydrophobicContact CD1-CD1 4.26Å; L273-F301 HydrophobicContact CD1-CG 3.89Å
274	S	93.2	Very high	94.2	Very high	33 Å²	33	55.6 Å²	55.6	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-67	-25.4	174.3	-61.5	0	0	0	0	113.1	K270 R271 T272 P343	K270-S274 PolarHBondContact O-N 3.28Å; K270-S274 PolarHBondContact O-OG 2.87Å; R271-S274 WeakPolarHBondContact O-CB 3.41Å; R271-S274 PolarHBondContact O-N 2.93Å; R271-S274 VanDerWaalsContact O-N 3.16Å; T272-S274 PolarHBondContact O-N 2.62Å; S274-P343 WeakPolarHBondContact O-CG 3.47Å
275	S	91.9	Very high	94.2	Very high	98 Å²	98	56.2 Å²	56.2	69%	0.685	30%	0.303	S	S	*	.	H	α-helix	trans	-113.6	-25.6	177.1	61.6	0	0	0	0	113.6	T272 L273 R298	T272-S275 PolarHBondContact O-N 2.87Å; T272-S275 VanDerWaalsContact O-N 3.15Å; T272-S275 PolarHBondContact O-OG 2.92Å; L273-S275 PolarHBondContact O-N 3.43Å; S275-R298 VanDerWaalsContact C-NH2 3.26Å; S275-R298 PolarHBondContact O-NH2 3.29Å
276	S	91.9	Very high	94.2	Very high	50 Å²	50	55.6 Å²	55.6	35%	0.35	30%	0.297	S	S	.	.	S	Bend	trans	-115.6	153.6	-175.4	-56.3	0	0	0	0	112.5	T272 L273 Q278 R298	T272-S276 WeakPolarHBondContact O-CB 3.45Å; T272-S276 PolarHBondContact O-N 2.71Å; L273-S276 CarbonylContact C-O 3.55Å; L273-S276 WeakPolarHBondContact CA-O 3.49Å; S276-Q278 VanDerWaalsContact C-N 3.28Å; S276-Q278 WeakPolarHBondContact CB-O 3.46Å; S276-Q278 PolarHBondContact O-N 3.08Å; S276-R298 PolarHBondContact O-NE 2.81Å; S276-R298 PolarHBondContact O-NH2 3.36Å
277	T	92.7	Very high	94.1	Very high	104 Å²	104	57.7 Å²	57.7	64%	0.638	31%	0.305	S	S	*	.	S	Bend	trans	-77.1	-15.5	-179.8	50.6	0	0	0	0	113.4	R298	T277-R298 PolarHBondContact O-N 3.22Å
278	Q	92.9	Very high	94	Very high	100 Å²	100	62.6 Å²	62.6	47%	0.467	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159	177.9	66.5	-177.9	8.8	0	0	110.8	S276 I296	S276-Q278 VanDerWaalsContact C-N 3.28Å; S276-Q278 WeakPolarHBondContact CB-O 3.46Å; S276-Q278 PolarHBondContact O-N 3.08Å; Q278-I296 CarbonylContact C-O 3.58Å; Q278-I296 WeakPolarHBondContact CA-O 3.12Å
279	A	95.8	Very high	93.8	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.6	173.2	0	0	0	0	0	109.9	A269 T272 L273 T295 I296	A269-A279 HydrophobicContact CB-CB 3.95Å; T272-A279 HydrophobicContact CG2-CB 3.88Å; L273-A279 HydrophobicContact CD2-CB 3.91Å; L273-A279 HydrophobicContact CG-CB 3.97Å; A279-T295 WeakPolarHBondContact O-CA 3.48Å; A279-I296 PolarHBondContact N-O 3.32Å; A279-I296 PolarHBondContact O-N 2.83Å
280	S	94.6	Very high	93.6	Very high	66 Å²	66	58 Å²	58	46%	0.462	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.6	169.5	60.9	0	0	0	0	110.9	E282	S280-E282 VanDerWaalsContact CB-OE1 3.27Å; S280-E282 WeakPolarHBondContact CB-OE1 3.36Å; S280-E282 PolarHBondContact OG-OE1 2.89Å
281	I	96.4	Very high	93.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.8	169.3	-68.2	176.6	0	0	0	106.3	F240 A265 A269 I283 Y292 Y293 T294	F240-I281 HydrophobicContact CD2-CD1 3.79Å; F240-I281 HydrophobicContact CE1-CD1 4.33Å; F240-I281 HydrophobicContact CE2-CD1 3.25Å; F240-I281 HydrophobicContact CZ-CD1 3.53Å; A265-I281 HydrophobicContact CB-CG2 3.94Å; A269-I281 HydrophobicContact CB-CD1 3.96Å; A269-I281 HydrophobicContact CB-CG1 3.76Å; I281-I283 HydrophobicContact CG2-CD1 3.97Å; I281-I283 HydrophobicContact CG2-CG1 4.04Å; I281-Y292 HydrophobicContact CG2-CD1 4.34Å; I281-Y292 HydrophobicContact CG2-CE1 4.47Å; I281-Y293 WeakPolarHBondContact O-CA 3.36Å; I281-T294 HydrophobicContact CB-CG2 3.97Å; I281-T294 HydrophobicContact CG2-CG2 4.42Å; I281-T294 PolarHBondContact N-O 3.03Å; I281-T294 PolarHBondContact O-N 3.07Å
282	E	94	Very high	93.6	Very high	127 Å²	127	55 Å²	55	59%	0.593	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.6	-172.7	-55.1	177.5	-156.9	0	0	106.9	S280 Y293	S280-E282 VanDerWaalsContact CB-OE1 3.27Å; S280-E282 WeakPolarHBondContact CB-OE1 3.36Å; S280-E282 PolarHBondContact OG-OE1 2.89Å; E282-Y293 HydrophobicContact CB-CD1 3.76Å; E282-Y293 HydrophobicContact CB-CE1 3.97Å; E282-Y293 HydrophobicContact CG-CD1 3.89Å; E282-Y293 HydrophobicContact CG-CE1 4.46Å
283	I	94.9	Very high	93.6	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	107.1	-176.8	-46	173	0	0	0	109.3	R261 L262 A265 I281 L286 Y292	R261-I283 HydrophobicContact CB-CG2 4.4Å; L262-I283 HydrophobicContact CB-CD1 4.35Å; L262-I283 HydrophobicContact CD1-CD1 4.01Å; A265-I283 HydrophobicContact CB-CD1 3.57Å; A265-I283 HydrophobicContact CB-CG1 3.94Å; I281-I283 HydrophobicContact CG2-CD1 3.97Å; I281-I283 HydrophobicContact CG2-CG1 4.04Å; I283-L286 HydrophobicContact CB-CB 4.28Å; I283-L286 HydrophobicContact CB-CD1 4.42Å; I283-L286 HydrophobicContact CD1-CD1 4.02Å; I283-L286 HydrophobicContact CD1-CD2 4.36Å; I283-L286 HydrophobicContact CG2-CB 4.07Å; I283-L286 HydrophobicContact CG2-CD1 3.89Å; I283-Y292 PolarHBondContact N-O 3.22Å; I283-Y292 PolarHBondContact O-N 2.95Å
284	D	93.1	Very high	93.6	Very high	95 Å²	95	58.8 Å²	58.8	51%	0.508	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138	178	-51.4	-32.2	0	0	0	110.7	R261 L286 D291 Y293	R261-D284 VanDerWaalsContact CZ-O 3.28Å; R261-D284 PolarHBondContact NH1-O 2.88Å; R261-D284 PolarHBondContact NH2-O 3.01Å; D284-L286 PolarHBondContact O-N 3.15Å; D284-L286 VanDerWaalsContact O-N 3.15Å; D284-D291 WeakPolarHBondContact CA-OD1 3.31Å; D284-Y293 PolarHBondContact OD1-OH 3.32Å
285	S	91.6	Very high	93.7	Very high	64 Å²	64	61.7 Å²	61.7	45%	0.448	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.2	48.4	177.1	-66.9	0	0	0	0	112.1	R261 Y287 I290 D291	R261-S285 PolarHBondContact NH1-O 3.22Å; S285-Y287 VanDerWaalsContact C-N 3.3Å; S285-Y287 PolarHBondContact O-N 2.74Å; S285-I290 CarbonylContact C-O 3.57Å; S285-D291 PolarHBondContact N-OD1 3.25Å
286	L	93.3	Very high	94	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	-45.8	-175.9	173.9	60.4	0	0	0	111	F244 M252 A258 R261 L262 I283 D284 I290 Y292	F244-L286 HydrophobicContact CD2-CD2 4Å; F244-L286 HydrophobicContact CE2-CD2 4.16Å; M252-L286 HydrophobicContact CE-CD1 4.28Å; M252-L286 HydrophobicContact CE-CD2 4.12Å; M252-L286 HydrophobicContact CE-CG 4.33Å; M252-L286 HydrophobicContact SD-CD2 3.8Å; M252-L286 HydrophobicContact SD-CG 4.23Å; A258-L286 HydrophobicContact CB-CD1 4.33Å; A258-L286 VanDerWaalsContact CB-O 3.24Å; A258-L286 WeakPolarHBondContact CB-O 3.28Å; A258-L286 WeakPolarHBondContact O-CD1 3.32Å; R261-L286 HydrophobicContact CB-CD1 4.18Å; L262-L286 HydrophobicContact CB-CD1 4.26Å; I283-L286 HydrophobicContact CB-CB 4.28Å; I283-L286 HydrophobicContact CB-CD1 4.42Å; I283-L286 HydrophobicContact CD1-CD1 4.02Å; I283-L286 HydrophobicContact CD1-CD2 4.36Å; I283-L286 HydrophobicContact CG2-CB 4.07Å; I283-L286 HydrophobicContact CG2-CD1 3.89Å; D284-L286 PolarHBondContact O-N 3.15Å; D284-L286 VanDerWaalsContact O-N 3.15Å; L286-I290 PolarHBondContact N-O 3.3Å; L286-Y292 HydrophobicContact CD2-CD1 3.85Å; L286-Y292 HydrophobicContact CD2-CG 3.81Å
287	Y	95.4	Very high	94.2	Very high	43 Å²	43	58 Å²	58	17%	0.169	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	127.6	179.5	-176.7	-113	0	0	0	110.7	F244 K250 M252 N255 A258 S285 G289 I290	F244-Y287 AromaticContact CE1-CD1 3.97Å; F244-Y287 HydrophobicContact CE1-CD1 3.97Å; F244-Y287 HydrophobicContact CZ-CD1 4.24Å; K250-Y287 HydrophobicContact CB-CD1 4.24Å; K250-Y287 HydrophobicContact CB-CE1 4.07Å; K250-Y287 HydrophobicContact CD-CE1 4.4Å; M252-Y287 HydrophobicContact CB-CD1 4.02Å; M252-Y287 HydrophobicContact CB-CD2 4.06Å; M252-Y287 HydrophobicContact CB-CE1 4.49Å; M252-Y287 HydrophobicContact CB-CG 3.76Å; N255-Y287 HydrophobicContact CB-CD2 3.98Å; N255-Y287 HydrophobicContact CB-CE2 3.76Å; A258-Y287 HydrophobicContact CB-CD2 4.21Å; S285-Y287 VanDerWaalsContact C-N 3.3Å; S285-Y287 PolarHBondContact O-N 2.74Å; Y287-G289 VanDerWaalsContact C-N 3.28Å; Y287-G289 PolarHBondContact O-N 3.16Å; Y287-I290 WeakPolarHBondContact O-CB 3.43Å; Y287-I290 PolarHBondContact O-N 2.97Å
288	E	91.5	Very high	94.4	Very high	117 Å²	117	55.6 Å²	55.6	55%	0.547	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.6	179.3	-62	-174.1	178.1	0	0	114.1	K250 I290	K250-E288 VanDerWaalsContact CD-OE2 3.26Å; K250-E288 WeakPolarHBondContact CD-OE2 3.4Å; K250-E288 VanDerWaalsContact CE-OE2 3.25Å; K250-E288 WeakPolarHBondContact CE-OE2 3.37Å; K250-E288 IonicContact NZ-OE2 3.65Å; K250-E288 PolarHBondContact NZ-OE2 2.86Å; E288-I290 PolarHBondContact O-N 3.3Å
289	G	89.4	Confident	94.6	Very high	54 Å²	54	54 Å²	54	56%	0.557	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	3.2	179.5	0	0	0	0	0	115	Y287	Y287-G289 VanDerWaalsContact C-N 3.28Å; Y287-G289 PolarHBondContact O-N 3.16Å
290	I	91.9	Very high	94.6	Very high	39 Å²	39	58 Å²	58	20%	0.2	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.2	178.5	-58.2	175.9	0	0	0	109.4	F244 N248 K250 S285 L286 Y287 E288	F244-I290 HydrophobicContact CE2-CB 4.44Å; F244-I290 HydrophobicContact CE2-CG2 4.09Å; F244-I290 HydrophobicContact CZ-CB 4.22Å; F244-I290 HydrophobicContact CZ-CD1 4.27Å; F244-I290 HydrophobicContact CZ-CG2 4.2Å; N248-I290 HydrophobicContact CB-CD1 4.15Å; K250-I290 HydrophobicContact CD-CD1 3.84Å; S285-I290 CarbonylContact C-O 3.57Å; L286-I290 PolarHBondContact N-O 3.3Å; Y287-I290 WeakPolarHBondContact O-CB 3.43Å; Y287-I290 PolarHBondContact O-N 2.97Å; E288-I290 PolarHBondContact O-N 3.3Å
291	D	94.5	Very high	94.8	Very high	76 Å²	76	55 Å²	55	41%	0.406	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	140.6	168.8	-53.7	-35	0	0	0	110.3	D284 S285 Y293	D284-D291 WeakPolarHBondContact CA-OD1 3.31Å; S285-D291 PolarHBondContact N-OD1 3.25Å; D291-Y293 HydrophobicContact CB-CD2 4.12Å; D291-Y293 HydrophobicContact CB-CE2 3.36Å
292	Y	95.5	Very high	94.8	Very high	4 Å²	4	57 Å²	57	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.1	-179.5	-171.8	-114.1	0	0	0	111	F240 E243 F244 L262 I281 I283 L286 T294	F240-Y292 HydrophobicContact CB-CE1 4.34Å; F240-Y292 HydrophobicContact CD1-CE1 4.45Å; F240-Y292 WeakPolarHBondContact CD1-OH 3.01Å; F240-Y292 PolarHBondContact O-OH 3.19Å; E243-Y292 WeakPolarHBondContact CG-OH 3.31Å; E243-Y292 PolarHBondContact OE1-OH 3.43Å; F244-Y292 HydrophobicContact CB-CE2 4.08Å; F244-Y292 AromaticContact CD2-CD2 3.49Å; F244-Y292 HydrophobicContact CD2-CD2 3.49Å; F244-Y292 VanDerWaalsContact CD2-CD2 3.49Å; F244-Y292 AromaticContact CD2-CE2 3.88Å; F244-Y292 HydrophobicContact CD2-CE2 3.88Å; F244-Y292 AromaticContact CD2-CG 4Å; F244-Y292 HydrophobicContact CD2-CG 4Å; F244-Y292 HydrophobicContact CE2-CD2 4.17Å; F244-Y292 HydrophobicContact CG-CD2 4.48Å; F244-Y292 HydrophobicContact CG-CE2 4.47Å; L262-Y292 HydrophobicContact CD1-CE1 4.29Å; I281-Y292 HydrophobicContact CG2-CD1 4.34Å; I281-Y292 HydrophobicContact CG2-CE1 4.47Å; I283-Y292 PolarHBondContact N-O 3.22Å; I283-Y292 PolarHBondContact O-N 2.95Å; L286-Y292 HydrophobicContact CD2-CD1 3.85Å; L286-Y292 HydrophobicContact CD2-CG 3.81Å; Y292-T294 HydrophobicContact CD1-CG2 4.38Å; Y292-T294 HydrophobicContact CE1-CG2 3.57Å
293	Y	95.2	Very high	95	Very high	122 Å²	122	56.8 Å²	56.8	48%	0.478	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.2	174.9	-54.4	-75.3	0	0	0	109.3	I281 E282 D284 D291	I281-Y293 WeakPolarHBondContact O-CA 3.36Å; E282-Y293 HydrophobicContact CB-CD1 3.76Å; E282-Y293 HydrophobicContact CB-CE1 3.97Å; E282-Y293 HydrophobicContact CG-CD1 3.89Å; E282-Y293 HydrophobicContact CG-CE1 4.46Å; D284-Y293 PolarHBondContact OD1-OH 3.32Å; D291-Y293 HydrophobicContact CB-CD2 4.12Å; D291-Y293 HydrophobicContact CB-CE2 3.36Å
294	T	96	Very high	95.1	Very high	17 Å²	17	57.6 Å²	57.6	10%	0.104	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	168.9	174.8	-161.6	0	0	0	0	110.5	F240 E243 K247 I281 Y292	F240-T294 HydrophobicContact CD1-CG2 3.84Å; F240-T294 HydrophobicContact CE1-CG2 3.57Å; F240-T294 HydrophobicContact CZ-CG2 4.31Å; E243-T294 WeakPolarHBondContact OE1-CB 3.2Å; E243-T294 PolarHBondContact OE1-OG1 2.78Å; K247-T294 PolarHBondContact NZ-OG1 2.71Å; I281-T294 HydrophobicContact CB-CG2 3.97Å; I281-T294 HydrophobicContact CG2-CG2 4.42Å; I281-T294 PolarHBondContact N-O 3.03Å; I281-T294 PolarHBondContact O-N 3.07Å; Y292-T294 HydrophobicContact CD1-CG2 4.38Å; Y292-T294 HydrophobicContact CE1-CG2 3.57Å
295	T	95.6	Very high	95.3	Very high	94 Å²	94	53.1 Å²	53.1	58%	0.577	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.7	178	56.3	0	0	0	0	109.5	A279	A279-T295 WeakPolarHBondContact O-CA 3.48Å
296	I	97.2	Very high	95.5	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.5	173	-175.1	166.3	0	0	0	110.2	M236 F240 L273 Q278 A279 R300 F301 L304	M236-I296 HydrophobicContact CE-CD1 4.3Å; M236-I296 HydrophobicContact CE-CG2 4.3Å; F240-I296 HydrophobicContact CE2-CD1 4.24Å; F240-I296 HydrophobicContact CZ-CB 3.82Å; F240-I296 HydrophobicContact CZ-CD1 3.81Å; F240-I296 HydrophobicContact CZ-CG1 4.36Å; F240-I296 HydrophobicContact CZ-CG2 3.98Å; L273-I296 HydrophobicContact CD1-CG2 4.11Å; Q278-I296 CarbonylContact C-O 3.58Å; Q278-I296 WeakPolarHBondContact CA-O 3.12Å; A279-I296 PolarHBondContact N-O 3.32Å; A279-I296 PolarHBondContact O-N 2.83Å; I296-R300 HydrophobicContact CD1-CG 4.38Å; I296-R300 HydrophobicContact CG1-CB 4.1Å; I296-R300 HydrophobicContact CG1-CG 4.24Å; I296-F301 HydrophobicContact CD1-CB 4.23Å; I296-L304 HydrophobicContact CD1-CD1 4.13Å
297	T	97.6	Very high	95.6	Very high	64 Å²	64	54.7 Å²	54.7	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	153.7	174.2	64.7	0	0	0	0	110.1	A299 R300 F301	T297-A299 PolarHBondContact O-N 3.46Å; T297-R300 PolarHBondContact O-N 2.9Å; T297-R300 VanDerWaalsContact O-N 3.1Å; T297-R300 WeakPolarHBondContact OG1-CB 3.3Å; T297-R300 PolarHBondContact OG1-N 3.16Å; T297-F301 PolarHBondContact O-N 3.02Å
298	R	97.3	Very high	95.5	Very high	54 Å²	54	54 Å²	54	20%	0.204	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-42.2	173.9	-174.5	-172.2	-64.2	166.8	-3.8	110.8	L273 S275 S276 T277 R300 F301 E302	L273-R298 HydrophobicContact CD2-CB 4.17Å; L273-R298 VanDerWaalsContact O-CZ 3.31Å; L273-R298 PolarHBondContact O-NE 3.04Å; L273-R298 PolarHBondContact O-NH2 3.11Å; S275-R298 VanDerWaalsContact C-NH2 3.26Å; S275-R298 PolarHBondContact O-NH2 3.29Å; S276-R298 PolarHBondContact O-NE 2.81Å; S276-R298 PolarHBondContact O-NH2 3.36Å; T277-R298 PolarHBondContact O-N 3.22Å; R298-R300 VanDerWaalsContact C-N 3.3Å; R298-R300 PolarHBondContact O-N 3.47Å; R298-F301 PolarHBondContact O-N 2.93Å; R298-E302 WeakPolarHBondContact CD-OE1 3.49Å; R298-E302 HydrophobicContact CG-CG 4.28Å; R298-E302 WeakPolarHBondContact CG-OE1 3.47Å; R298-E302 WeakPolarHBondContact O-CB 3.36Å; R298-E302 VanDerWaalsContact O-CG 3.3Å; R298-E302 WeakPolarHBondContact O-CG 3.21Å; R298-E302 PolarHBondContact O-N 3.04Å
299	A	95.4	Very high	95.8	Very high	68 Å²	68	48.4 Å²	48.4	56%	0.562	27%	0.266	S	S	*	.	H	α-helix	trans	-58	-41.7	177.3	0	0	0	0	0	112.4	T297 E302 E303	T297-A299 PolarHBondContact O-N 3.46Å; A299-E302 PolarHBondContact O-N 3.35Å; A299-E303 PolarHBondContact O-N 3.02Å
300	R	96.8	Very high	96.1	Very high	88 Å²	88	53.9 Å²	53.9	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-68.9	-41.6	177.3	-176.4	58.2	178.6	175.1	5.5	112.2	I296 T297 R298 E302 E303 L304	I296-R300 HydrophobicContact CD1-CG 4.38Å; I296-R300 HydrophobicContact CG1-CB 4.1Å; I296-R300 HydrophobicContact CG1-CG 4.24Å; T297-R300 PolarHBondContact O-N 2.9Å; T297-R300 VanDerWaalsContact O-N 3.1Å; T297-R300 WeakPolarHBondContact OG1-CB 3.3Å; T297-R300 PolarHBondContact OG1-N 3.16Å; R298-R300 VanDerWaalsContact C-N 3.3Å; R298-R300 PolarHBondContact O-N 3.47Å; R300-E302 VanDerWaalsContact C-N 3.33Å; R300-E303 WeakPolarHBondContact CD-OE2 3.2Å; R300-E303 IonicContact CZ-OE2 3.9Å; R300-E303 IonicContact NH1-OE1 3.95Å; R300-E303 PolarHBondContact NH1-OE1 2.95Å; R300-E303 IonicContact NH1-OE2 3.89Å; R300-E303 PolarHBondContact NH1-OE2 2.94Å; R300-E303 WeakPolarHBondContact O-CB 3.4Å; R300-E303 PolarHBondContact O-N 2.86Å; R300-L304 HydrophobicContact CG-CD1 4.47Å; R300-L304 VanDerWaalsContact O-CG 3.31Å; R300-L304 WeakPolarHBondContact O-CG 3.45Å; R300-L304 PolarHBondContact O-N 3.47Å
301	F	98	Very high	96.2	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-44.8	172.7	167	-109.8	0	0	0	111.7	F232 M236 K270 L273 I296 T297 R298 E303 L304 C305 F309 I342	F232-F301 HydrophobicContact CB-CE2 4.19Å; F232-F301 HydrophobicContact CB-CZ 4.27Å; M236-F301 HydrophobicContact CG-CD2 3.91Å; M236-F301 HydrophobicContact CG-CE2 4.2Å; M236-F301 HydrophobicContact SD-CD2 3.61Å; M236-F301 HydrophobicContact SD-CE2 3.76Å; K270-F301 HydrophobicContact CD-CE2 4.47Å; K270-F301 HydrophobicContact CD-CZ 4.27Å; K270-F301 HydrophobicContact CG-CE2 4.1Å; K270-F301 HydrophobicContact CG-CZ 3.83Å; L273-F301 HydrophobicContact CD1-CB 3.56Å; L273-F301 HydrophobicContact CD1-CD1 4.26Å; L273-F301 HydrophobicContact CD1-CG 3.89Å; I296-F301 HydrophobicContact CD1-CB 4.23Å; T297-F301 PolarHBondContact O-N 3.02Å; R298-F301 PolarHBondContact O-N 2.93Å; F301-E303 VanDerWaalsContact C-N 3.29Å; F301-E303 PolarHBondContact O-N 3Å; F301-L304 PolarHBondContact O-N 3.17Å; F301-C305 PolarHBondContact O-N 3.32Å; F301-F309 HydrophobicContact CE1-CE2 4.35Å; F301-F309 AromaticContact CE1-CZ 3.74Å; F301-F309 HydrophobicContact CE1-CZ 3.74Å; F301-F309 AromaticContact CZ-CZ 3.83Å; F301-F309 HydrophobicContact CZ-CZ 3.83Å; F301-I342 HydrophobicContact CE1-CD1 4.38Å; F301-I342 HydrophobicContact CE1-CG2 4.08Å; F301-I342 HydrophobicContact CZ-CD1 4.17Å
302	E	97.5	Very high	96.2	Very high	45 Å²	45	50.1 Å²	50.1	21%	0.21	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-34.8	177.5	-71.3	179	-167.3	0	0	113	R298 A299 R300 A306 F309 K344	R298-E302 WeakPolarHBondContact CD-OE1 3.49Å; R298-E302 HydrophobicContact CG-CG 4.28Å; R298-E302 WeakPolarHBondContact CG-OE1 3.47Å; R298-E302 WeakPolarHBondContact O-CB 3.36Å; R298-E302 VanDerWaalsContact O-CG 3.3Å; R298-E302 WeakPolarHBondContact O-CG 3.21Å; R298-E302 PolarHBondContact O-N 3.04Å; A299-E302 PolarHBondContact O-N 3.35Å; R300-E302 VanDerWaalsContact C-N 3.33Å; E302-A306 WeakPolarHBondContact O-CA 3.35Å; E302-A306 WeakPolarHBondContact O-CB 3.42Å; E302-A306 PolarHBondContact O-N 3.1Å; E302-F309 HydrophobicContact CB-CE2 4.48Å; E302-F309 HydrophobicContact CG-CE2 4.32Å; E302-K344 HydrophobicContact CB-CG 4.41Å; E302-K344 HydrophobicContact CG-CB 3.71Å; E302-K344 HydrophobicContact CG-CG 4.01Å
303	E	96.9	Very high	96.2	Very high	122 Å²	122	51.2 Å²	51.2	57%	0.57	26%	0.259	S	S	*	.	H	α-helix	trans	-67.4	-44.1	173.9	-170.1	-166.5	163.4	0	0	112	A299 R300 F301 C305 A306	A299-E303 PolarHBondContact O-N 3.02Å; R300-E303 WeakPolarHBondContact CD-OE2 3.2Å; R300-E303 IonicContact CZ-OE2 3.9Å; R300-E303 IonicContact NH1-OE1 3.95Å; R300-E303 PolarHBondContact NH1-OE1 2.95Å; R300-E303 IonicContact NH1-OE2 3.89Å; R300-E303 PolarHBondContact NH1-OE2 2.94Å; R300-E303 WeakPolarHBondContact O-CB 3.4Å; R300-E303 PolarHBondContact O-N 2.86Å; F301-E303 VanDerWaalsContact C-N 3.29Å; F301-E303 PolarHBondContact O-N 3Å; E303-C305 PolarHBondContact O-N 3.39Å; E303-A306 WeakPolarHBondContact O-CB 3.3Å; E303-A306 PolarHBondContact O-N 3.33Å
304	L	96.6	Very high	96.2	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-28.7	-179.4	-70.2	172.6	0	0	0	113.4	R235 H239 I296 R300 F301	R235-L304 PolarHBondContact NH1-O 3.14Å; H239-L304 HydrophobicContact CB-CD1 3.92Å; H239-L304 HydrophobicContact CB-CD2 4.25Å; I296-L304 HydrophobicContact CD1-CD1 4.13Å; R300-L304 HydrophobicContact CG-CD1 4.47Å; R300-L304 VanDerWaalsContact O-CG 3.31Å; R300-L304 WeakPolarHBondContact O-CG 3.45Å; R300-L304 PolarHBondContact O-N 3.47Å; F301-L304 PolarHBondContact O-N 3.17Å
305	C	97.3	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	10.5	-177.5	-61	0	0	0	0	112.9	F232 F301 E303 D307 L308 F309	F232-C305 HydrophobicContact CD1-CB 4.26Å; F301-C305 PolarHBondContact O-N 3.32Å; E303-C305 PolarHBondContact O-N 3.39Å; C305-D307 VanDerWaalsContact C-N 3.28Å; C305-D307 PolarHBondContact O-N 3.18Å; C305-L308 PolarHBondContact O-N 3.21Å; C305-L308 VanDerWaalsContact O-N 3.16Å; C305-F309 HydrophobicContact CB-CD1 4.24Å; C305-F309 HydrophobicContact CB-CD2 4.15Å; C305-F309 HydrophobicContact CB-CE1 3.79Å; C305-F309 HydrophobicContact CB-CE2 3.73Å; C305-F309 HydrophobicContact CB-CG 4.4Å; C305-F309 HydrophobicContact CB-CZ 3.51Å; C305-F309 VanDerWaalsContact O-CG 3.31Å; C305-F309 WeakPolarHBondContact O-CG 3.38Å; C305-F309 PolarHBondContact O-N 3.28Å
306	A	96	Very high	96	Very high	28 Å²	28	45.5 Å²	45.5	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-35.8	-170	0	0	0	0	0	113.9	E302 E303 R310	E302-A306 WeakPolarHBondContact O-CA 3.35Å; E302-A306 WeakPolarHBondContact O-CB 3.42Å; E302-A306 PolarHBondContact O-N 3.1Å; E303-A306 WeakPolarHBondContact O-CB 3.3Å; E303-A306 PolarHBondContact O-N 3.33Å; A306-R310 VanDerWaalsContact O-CG 3.32Å; A306-R310 WeakPolarHBondContact O-CG 3.36Å; A306-R310 PolarHBondContact O-N 3.41Å
307	D	95.4	Very high	96	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-69.6	-46.8	176.2	59.4	-46.6	0	0	0	111.7	R235 C305 F309 R310 S311	R235-D307 IonicContact CZ-OD1 3.78Å; R235-D307 IonicContact CZ-OD2 2.69Å; R235-D307 IonicContact NH1-OD1 3.4Å; R235-D307 PolarHBondContact NH1-OD1 3.25Å; R235-D307 IonicContact NH1-OD2 3.46Å; R235-D307 PolarHBondContact NH1-OD2 3.36Å; R235-D307 IonicContact NH2-OD1 2.92Å; R235-D307 IonicContact NH2-OD2 2.8Å; R235-D307 PolarHBondContact NH2-OD2 2.71Å; C305-D307 VanDerWaalsContact C-N 3.28Å; C305-D307 PolarHBondContact O-N 3.18Å; D307-F309 VanDerWaalsContact C-N 3.31Å; D307-F309 PolarHBondContact O-N 3.09Å; D307-R310 PolarHBondContact O-N 3.23Å; D307-R310 VanDerWaalsContact O-N 3.12Å; D307-S311 PolarHBondContact O-N 3.49Å
308	L	94.9	Very high	95.7	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.147	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-34.8	177.5	-58.4	179.1	0	0	0	112.3	L227 D231 F232 R235 C305 R310 S311	L227-L308 HydrophobicContact CD1-CB 4.01Å; L227-L308 HydrophobicContact CD1-CD2 4.19Å; D231-L308 HydrophobicContact CB-CD1 4.11Å; F232-L308 HydrophobicContact CD1-CB 4.27Å; F232-L308 HydrophobicContact CD1-CD1 3.91Å; F232-L308 HydrophobicContact CE1-CB 3.76Å; F232-L308 HydrophobicContact CE1-CD1 4.13Å; R235-L308 HydrophobicContact CG-CD1 3.97Å; C305-L308 PolarHBondContact O-N 3.21Å; C305-L308 VanDerWaalsContact O-N 3.16Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-S311 WeakPolarHBondContact CA-OG 3.38Å; L308-S311 PolarHBondContact O-OG 2.88Å
309	F	96.9	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71.3	-28.1	174.7	-64.6	-20.7	0	0	0	113.1	F232 F301 E302 C305 D307 T312 I342 K344 V345 L348	F232-F309 HydrophobicContact CD1-CD1 4.39Å; F232-F309 AromaticContact CD1-CE1 3.81Å; F232-F309 HydrophobicContact CD1-CE1 3.81Å; F232-F309 HydrophobicContact CD2-CE1 4.26Å; F232-F309 AromaticContact CE1-CD1 3.76Å; F232-F309 HydrophobicContact CE1-CD1 3.76Å; F232-F309 AromaticContact CE1-CE1 3.56Å; F232-F309 HydrophobicContact CE1-CE1 3.56Å; F232-F309 HydrophobicContact CE2-CE1 4.05Å; F232-F309 HydrophobicContact CG-CE1 4.18Å; F232-F309 AromaticContact CZ-CD1 3.93Å; F232-F309 HydrophobicContact CZ-CD1 3.93Å; F232-F309 AromaticContact CZ-CE1 3.7Å; F232-F309 HydrophobicContact CZ-CE1 3.7Å; F301-F309 HydrophobicContact CE1-CE2 4.35Å; F301-F309 AromaticContact CE1-CZ 3.74Å; F301-F309 HydrophobicContact CE1-CZ 3.74Å; F301-F309 AromaticContact CZ-CZ 3.83Å; F301-F309 HydrophobicContact CZ-CZ 3.83Å; E302-F309 HydrophobicContact CB-CE2 4.48Å; E302-F309 HydrophobicContact CG-CE2 4.32Å; C305-F309 HydrophobicContact CB-CD1 4.24Å; C305-F309 HydrophobicContact CB-CD2 4.15Å; C305-F309 HydrophobicContact CB-CE1 3.79Å; C305-F309 HydrophobicContact CB-CE2 3.73Å; C305-F309 HydrophobicContact CB-CG 4.4Å; C305-F309 HydrophobicContact CB-CZ 3.51Å; C305-F309 VanDerWaalsContact O-CG 3.31Å; C305-F309 WeakPolarHBondContact O-CG 3.38Å; C305-F309 PolarHBondContact O-N 3.28Å; D307-F309 VanDerWaalsContact C-N 3.31Å; D307-F309 PolarHBondContact O-N 3.09Å; F309-T312 PolarHBondContact O-OG1 3.36Å; F309-I342 HydrophobicContact CE1-CD1 4.19Å; F309-I342 HydrophobicContact CE1-CG2 4.32Å; F309-I342 HydrophobicContact CE2-CG2 4.31Å; F309-I342 HydrophobicContact CZ-CD1 4.35Å; F309-I342 HydrophobicContact CZ-CG2 3.83Å; F309-K344 HydrophobicContact CD2-CB 3.98Å; F309-K344 HydrophobicContact CD2-CG 3.58Å; F309-K344 HydrophobicContact CE2-CB 3.97Å; F309-K344 HydrophobicContact CE2-CG 4.02Å; F309-K344 HydrophobicContact CG-CG 4.46Å; F309-V345 HydrophobicContact CD1-CG2 3.73Å; F309-V345 HydrophobicContact CE1-CG2 3.96Å; F309-V345 HydrophobicContact CG-CG2 4.27Å; F309-L348 HydrophobicContact CB-CD1 3.74Å; F309-L348 WeakPolarHBondContact O-CD1 3.04Å
310	R	94.9	Very high	95.5	Very high	169 Å²	169	43.4 Å²	43.4	64%	0.638	21%	0.209	S	C	*	.	H	α-helix	trans	-77	-39.1	174.9	-75.5	174.6	-173.1	148.8	1.7	111.2	A306 D307 L308 T312 L313	A306-R310 VanDerWaalsContact O-CG 3.32Å; A306-R310 WeakPolarHBondContact O-CG 3.36Å; A306-R310 PolarHBondContact O-N 3.41Å; D307-R310 PolarHBondContact O-N 3.23Å; D307-R310 VanDerWaalsContact O-N 3.12Å; L308-R310 VanDerWaalsContact C-N 3.34Å; R310-T312 PolarHBondContact O-N 3.37Å; R310-T312 VanDerWaalsContact O-N 3.12Å; R310-L313 WeakPolarHBondContact O-CB 3.27Å; R310-L313 PolarHBondContact O-N 3.24Å
311	S	94.2	Very high	95.3	Very high	34 Å²	34	46.4 Å²	46.4	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-18.8	179.3	64.2	0	0	0	0	113	D307 L308 L313 D314 P315	D307-S311 PolarHBondContact O-N 3.49Å; L308-S311 WeakPolarHBondContact CA-OG 3.38Å; L308-S311 PolarHBondContact O-OG 2.88Å; S311-L313 PolarHBondContact O-N 2.9Å; S311-D314 PolarHBondContact O-N 2.96Å; S311-P315 WeakPolarHBondContact O-CD 3.31Å
312	T	95.5	Very high	94.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.1	171.9	65.3	0	0	0	0	113.5	F197 L199 F204 L227 F309 R310 V316	F197-T312 HydrophobicContact CZ-CG2 4.46Å; L199-T312 HydrophobicContact CD1-CG2 4.33Å; L199-T312 HydrophobicContact CD2-CG2 4.4Å; F204-T312 HydrophobicContact CD1-CG2 4.49Å; F204-T312 HydrophobicContact CE1-CG2 4.29Å; F204-T312 WeakPolarHBondContact CE1-O 3.44Å; F204-T312 HydrophobicContact CZ-CG2 4.39Å; F204-T312 VanDerWaalsContact CZ-O 3.23Å; F204-T312 WeakPolarHBondContact CZ-O 3.42Å; L227-T312 HydrophobicContact CD2-CG2 3.79Å; L227-T312 HydrophobicContact CG-CG2 4.46Å; F309-T312 PolarHBondContact O-OG1 3.36Å; R310-T312 PolarHBondContact O-N 3.37Å; R310-T312 VanDerWaalsContact O-N 3.12Å; T312-V316 WeakPolarHBondContact O-CG2 3.42Å
313	L	96.1	Very high	94.7	Very high	27 Å²	27	47.4 Å²	47.4	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-80.5	-23.8	178.1	-63.7	179.6	0	0	0	112.6	R310 S311 V316 E317 F352	R310-L313 WeakPolarHBondContact O-CB 3.27Å; R310-L313 PolarHBondContact O-N 3.24Å; S311-L313 PolarHBondContact O-N 2.9Å; L313-V316 WeakPolarHBondContact O-CB 3.44Å; L313-V316 PolarHBondContact O-N 3.21Å; L313-V316 VanDerWaalsContact O-N 3.14Å; L313-E317 PolarHBondContact O-N 2.87Å; L313-F352 HydrophobicContact CD1-CD2 4.28Å; L313-F352 HydrophobicContact CD2-CB 3.97Å; L313-F352 HydrophobicContact CD2-CD2 4.14Å; L313-F352 HydrophobicContact CD2-CG 4.06Å
314	D	94.3	Very high	94.6	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-45	-177.3	-54.1	-31.1	0	0	0	111.7	S311 V316 E317 K318	S311-D314 PolarHBondContact O-N 2.96Å; D314-V316 VanDerWaalsContact C-N 3.35Å; D314-V316 PolarHBondContact O-N 2.92Å; D314-E317 PolarHBondContact O-N 3.44Å; D314-K318 VanDerWaalsContact O-CB 3.31Å; D314-K318 WeakPolarHBondContact O-CB 3.4Å; D314-K318 PolarHBondContact O-N 3.09Å
315	P	92.4	Very high	94.5	Very high	13 Å²	13	50.3 Å²	50.3	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-35.1	171.6	-26.7	39.3	0	0	0	113.6	F204 V206 A222 S311 K318 S319	F204-P315 HydrophobicContact CD1-CB 4.42Å; F204-P315 HydrophobicContact CD1-CG 3.95Å; F204-P315 HydrophobicContact CE1-CB 3.82Å; F204-P315 HydrophobicContact CE1-CG 3.61Å; V206-P315 HydrophobicContact CB-CB 4.45Å; V206-P315 HydrophobicContact CG2-CB 4.06Å; A222-P315 HydrophobicContact CB-CB 4.05Å; S311-P315 WeakPolarHBondContact O-CD 3.31Å; P315-K318 PolarHBondContact O-N 2.89Å; P315-S319 WeakPolarHBondContact O-CB 3.5Å; P315-S319 PolarHBondContact O-N 3.16Å; P315-S319 PolarHBondContact O-OG 2.96Å; P315-S319 VanDerWaalsContact O-OG 3.11Å
316	V	95.8	Very high	94.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-48.7	176.9	176.6	0	0	0	0	111.1	L195 F197 V206 T312 L313 D314 K318 S319 L320 L349 F352 F353	L195-V316 HydrophobicContact CD1-CG1 3.92Å; F197-V316 HydrophobicContact CD2-CG2 3.81Å; F197-V316 HydrophobicContact CE2-CG2 3.71Å; V206-V316 HydrophobicContact CG1-CG2 4.17Å; V206-V316 HydrophobicContact CG2-CG2 3.88Å; T312-V316 WeakPolarHBondContact O-CG2 3.42Å; L313-V316 WeakPolarHBondContact O-CB 3.44Å; L313-V316 PolarHBondContact O-N 3.21Å; L313-V316 VanDerWaalsContact O-N 3.14Å; D314-V316 VanDerWaalsContact C-N 3.35Å; D314-V316 PolarHBondContact O-N 2.92Å; V316-K318 VanDerWaalsContact C-N 3.32Å; V316-K318 PolarHBondContact O-N 2.95Å; V316-S319 PolarHBondContact O-N 3.21Å; V316-L320 HydrophobicContact CG1-CD1 4.28Å; V316-L320 WeakPolarHBondContact O-CG 3.43Å; V316-L320 PolarHBondContact O-N 2.85Å; V316-L349 HydrophobicContact CG1-CD1 4.46Å; V316-L349 HydrophobicContact CG2-CD1 4.23Å; V316-F352 HydrophobicContact CG1-CD1 4.02Å; V316-F352 HydrophobicContact CG1-CE1 3.53Å; V316-F352 HydrophobicContact CG1-CZ 4.08Å; V316-F353 HydrophobicContact CG1-CE2 3.94Å; V316-F353 HydrophobicContact CG1-CZ 4.12Å
317	E	95.5	Very high	94.2	Very high	75 Å²	75	56.2 Å²	56.2	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-41	175.6	-75.2	-172.6	-171.6	0	0	112.4	L313 D314 L320 R321 F352	L313-E317 PolarHBondContact O-N 2.87Å; D314-E317 PolarHBondContact O-N 3.44Å; E317-L320 PolarHBondContact O-N 2.94Å; E317-R321 WeakPolarHBondContact O-CG 3.39Å; E317-R321 PolarHBondContact O-N 2.93Å; E317-R321 IonicContact OE2-NH1 3.56Å; E317-R321 PolarHBondContact OE2-NH1 3.48Å; E317-R321 VanDerWaalsContact OE2-NH1 3.15Å; E317-F352 HydrophobicContact CB-CZ 4.46Å; E317-F352 HydrophobicContact CG-CE2 3.39Å; E317-F352 HydrophobicContact CG-CZ 3.44Å; E317-F352 VanDerWaalsContact CG-CZ 3.44Å
318	K	91.4	Very high	94.1	Very high	61 Å²	61	57.1 Å²	57.1	27%	0.265	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-49.1	178.4	-171.8	179.8	178.3	-166.1	0	110.8	A222 D314 P315 V316 L320 R321 D322	A222-K318 HydrophobicContact CB-CB 4.32Å; A222-K318 HydrophobicContact CB-CD 4.1Å; A222-K318 HydrophobicContact CB-CG 4.36Å; D314-K318 VanDerWaalsContact O-CB 3.31Å; D314-K318 WeakPolarHBondContact O-CB 3.4Å; D314-K318 PolarHBondContact O-N 3.09Å; P315-K318 PolarHBondContact O-N 2.89Å; V316-K318 VanDerWaalsContact C-N 3.32Å; V316-K318 PolarHBondContact O-N 2.95Å; K318-L320 PolarHBondContact O-N 3.35Å; K318-R321 PolarHBondContact O-N 2.78Å; K318-D322 WeakPolarHBondContact O-CB 3.31Å; K318-D322 PolarHBondContact O-N 3.03Å
319	S	92.1	Very high	94.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-43.4	177.3	-62.2	0	0	0	0	111.8	V206 S220 A222 P315 V316 R321 D322 A323	V206-S319 PolarHBondContact O-OG 2.85Å; V206-S319 VanDerWaalsContact O-OG 3.07Å; S220-S319 WeakPolarHBondContact OG-CA 3.44Å; S220-S319 PolarHBondContact OG-O 2.93Å; A222-S319 VanDerWaalsContact CB-OG 3.26Å; A222-S319 WeakPolarHBondContact CB-OG 3.26Å; A222-S319 PolarHBondContact N-OG 3.23Å; P315-S319 WeakPolarHBondContact O-CB 3.5Å; P315-S319 PolarHBondContact O-N 3.16Å; P315-S319 PolarHBondContact O-OG 2.96Å; P315-S319 VanDerWaalsContact O-OG 3.11Å; V316-S319 PolarHBondContact O-N 3.21Å; S319-R321 PolarHBondContact O-N 3.19Å; S319-D322 PolarHBondContact O-N 3.14Å; S319-A323 VanDerWaalsContact O-CB 3.3Å; S319-A323 WeakPolarHBondContact O-CB 3.2Å; S319-A323 PolarHBondContact O-N 3.3Å
320	L	96.1	Very high	94.1	Very high	10 Å²	10	60 Å²	60	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176.4	-77.1	166.5	0	0	0	113.1	I208 V316 E317 K318 D322 A323 K324 L325 K327 V330 F352 F353	I208-L320 HydrophobicContact CD1-CB 4.37Å; I208-L320 HydrophobicContact CD1-CD2 3.69Å; I208-L320 HydrophobicContact CD1-CG 3.92Å; V316-L320 HydrophobicContact CG1-CD1 4.28Å; V316-L320 WeakPolarHBondContact O-CG 3.43Å; V316-L320 PolarHBondContact O-N 2.85Å; E317-L320 PolarHBondContact O-N 2.94Å; K318-L320 PolarHBondContact O-N 3.35Å; L320-D322 VanDerWaalsContact C-N 3.34Å; L320-D322 PolarHBondContact O-N 2.69Å; L320-A323 PolarHBondContact O-N 2.74Å; L320-K324 PolarHBondContact O-N 3.43Å; L320-K324 VanDerWaalsContact O-N 3.09Å; L320-L325 HydrophobicContact CD2-CB 4.48Å; L320-L325 PolarHBondContact O-N 2.83Å; L320-L325 VanDerWaalsContact O-N 3.09Å; L320-K327 HydrophobicContact CD1-CG 3.84Å; L320-V330 HydrophobicContact CD2-CG2 3.65Å; L320-F352 HydrophobicContact CD1-CE1 3.62Å; L320-F352 HydrophobicContact CD1-CZ 3.98Å; L320-F353 HydrophobicContact CD1-CE1 4.34Å; L320-F353 HydrophobicContact CD1-CZ 4.12Å
321	R	93.8	Very high	94	Very high	151 Å²	151	55.8 Å²	55.8	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-61.6	-43.6	176.8	-74	-172.8	-62.9	-100.7	-2.7	111.6	E317 K318 S319 K324	E317-R321 WeakPolarHBondContact O-CG 3.39Å; E317-R321 PolarHBondContact O-N 2.93Å; E317-R321 IonicContact OE2-NH1 3.56Å; E317-R321 PolarHBondContact OE2-NH1 3.48Å; E317-R321 VanDerWaalsContact OE2-NH1 3.15Å; K318-R321 PolarHBondContact O-N 2.78Å; S319-R321 PolarHBondContact O-N 3.19Å; R321-K324 PolarHBondContact O-N 2.82Å; R321-K324 VanDerWaalsContact O-N 3.13Å
322	D	89.9	Confident	94	Very high	50 Å²	50	55.4 Å²	55.4	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-68.5	-39.3	-178.7	-71	-25.4	0	0	0	112.2	K318 S319 L320 K324 R415	K318-D322 WeakPolarHBondContact O-CB 3.31Å; K318-D322 PolarHBondContact O-N 3.03Å; S319-D322 PolarHBondContact O-N 3.14Å; L320-D322 VanDerWaalsContact C-N 3.34Å; L320-D322 PolarHBondContact O-N 2.69Å; D322-K324 PolarHBondContact O-N 2.95Å; D322-R415 VanDerWaalsContact CG-NH1 3.31Å; D322-R415 IonicContact OD1-NH1 3.96Å; D322-R415 PolarHBondContact OD1-NH1 3.44Å; D322-R415 IonicContact OD2-CZ 2.86Å; D322-R415 IonicContact OD2-NH1 3.92Å; D322-R415 PolarHBondContact OD2-NH1 2.92Å; D322-R415 IonicContact OD2-NH2 2.95Å; D322-R415 PolarHBondContact OD2-NH2 3.22Å
323	A	93.1	Very high	94.1	Very high	19 Å²	19	55.3 Å²	55.3	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-70.7	-11	172.5	0	0	0	0	0	113.1	I208 K219 S319 L320 L325	I208-A323 HydrophobicContact CB-CB 4.27Å; I208-A323 HydrophobicContact CD1-CB 3.91Å; I208-A323 HydrophobicContact CG2-CB 4.09Å; K219-A323 HydrophobicContact CB-CB 4.01Å; S319-A323 VanDerWaalsContact O-CB 3.3Å; S319-A323 WeakPolarHBondContact O-CB 3.2Å; S319-A323 PolarHBondContact O-N 3.3Å; L320-A323 PolarHBondContact O-N 2.74Å; A323-L325 HydrophobicContact CB-CB 4.44Å; A323-L325 HydrophobicContact CB-CD1 4.27Å; A323-L325 HydrophobicContact CB-CG 4.13Å; A323-L325 PolarHBondContact O-N 3.48Å
324	K	93.6	Very high	94.1	Very high	184 Å²	184	54 Å²	54	80%	0.8	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	38.6	-173	-54.1	175.2	-176	172.1	0	112.4	L320 R321 D322	L320-K324 PolarHBondContact O-N 3.43Å; L320-K324 VanDerWaalsContact O-N 3.09Å; R321-K324 PolarHBondContact O-N 2.82Å; R321-K324 VanDerWaalsContact O-N 3.13Å; D322-K324 PolarHBondContact O-N 2.95Å
325	L	94.6	Very high	94.2	Very high	29 Å²	29	49.7 Å²	49.7	15%	0.152	24%	0.242	C	C	.	.			trans	-112.2	136.5	177.2	-67.2	-179.1	0	0	0	110.5	N193 I208 L320 A323 Q329	N193-L325 HydrophobicContact CB-CD1 3.95Å; I208-L325 HydrophobicContact CG2-CD1 3.82Å; L320-L325 HydrophobicContact CD2-CB 4.48Å; L320-L325 PolarHBondContact O-N 2.83Å; L320-L325 VanDerWaalsContact O-N 3.09Å; A323-L325 HydrophobicContact CB-CB 4.44Å; A323-L325 HydrophobicContact CB-CD1 4.27Å; A323-L325 HydrophobicContact CB-CG 4.13Å; A323-L325 PolarHBondContact O-N 3.48Å; L325-Q329 HydrophobicContact CB-CB 4.45Å; L325-Q329 HydrophobicContact CD2-CB 4.13Å
326	D	93.4	Very high	94.2	Very high	93 Å²	93	49.1 Å²	49.1	50%	0.497	24%	0.239	S	C	.	.			trans	-72.3	154.6	162.8	-169.8	-90.7	0	0	0	110.4	S328 Q329	D326-S328 PolarHBondContact O-N 2.93Å; D326-S328 VanDerWaalsContact O-N 3.15Å; D326-S328 WeakPolarHBondContact OD1-CB 3.43Å; D326-S328 PolarHBondContact OD1-N 2.95Å; D326-S328 PolarHBondContact OD1-OG 3.41Å; D326-Q329 HydrophobicContact CB-CG 4.4Å; D326-Q329 WeakPolarHBondContact O-CB 3.24Å; D326-Q329 PolarHBondContact O-N 3.4Å
327	K	93.4	Very high	94.1	Very high	60 Å²	60	49.5 Å²	49.5	26%	0.261	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.2	-33	175.3	-57.8	-177.3	-176.9	-167.2	0	112.5	L320 Q329 V330 F352 F353	L320-K327 HydrophobicContact CD1-CG 3.84Å; K327-Q329 PolarHBondContact O-N 2.79Å; K327-V330 PolarHBondContact O-N 2.92Å; K327-F352 HydrophobicContact CD-CD1 4.23Å; K327-F352 HydrophobicContact CD-CE1 3.89Å; K327-F352 HydrophobicContact CD-CZ 4.24Å; K327-F352 VanDerWaalsContact CD-O 3.23Å; K327-F352 WeakPolarHBondContact CD-O 3.43Å; K327-F352 HydrophobicContact CG-CE1 4.24Å; K327-F352 VanDerWaalsContact NZ-CD2 3.32Å; K327-F352 VanDerWaalsContact NZ-CZ 3.3Å; K327-F352 PolarHBondContact NZ-O 3.45Å; K327-F353 HydrophobicContact CB-CD1 3.99Å; K327-F353 HydrophobicContact CB-CE1 4.1Å; K327-F353 HydrophobicContact CG-CE1 4.4Å
328	S	93.8	Very high	93.9	Very high	95 Å²	95	47.3 Å²	47.3	66%	0.664	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-68	-22.2	178.4	71.8	0	0	0	0	113.2	D326	D326-S328 PolarHBondContact O-N 2.93Å; D326-S328 VanDerWaalsContact O-N 3.15Å; D326-S328 WeakPolarHBondContact OD1-CB 3.43Å; D326-S328 PolarHBondContact OD1-N 2.95Å; D326-S328 PolarHBondContact OD1-OG 3.41Å
329	Q	95	Very high	94.1	Very high	88 Å²	88	44.9 Å²	44.9	41%	0.411	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-86.5	-11.5	-179.3	-60.7	177.9	-88.9	0	0	112.9	N193 L325 D326 K327 H331	N193-Q329 WeakPolarHBondContact CB-O 3.24Å; N193-Q329 PolarHBondContact ND2-O 3.15Å; L325-Q329 HydrophobicContact CB-CB 4.45Å; L325-Q329 HydrophobicContact CD2-CB 4.13Å; D326-Q329 HydrophobicContact CB-CG 4.4Å; D326-Q329 WeakPolarHBondContact O-CB 3.24Å; D326-Q329 PolarHBondContact O-N 3.4Å; K327-Q329 PolarHBondContact O-N 2.79Å; Q329-H331 PolarHBondContact O-CE1 2.74Å; Q329-H331 PolarHBondContact O-ND1 3.02Å
330	V	96.4	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.			trans	-77.6	119.8	169.9	179.7	0	0	0	0	108.1	L195 L320 K327 D332 V333 F353 K356	L195-V330 HydrophobicContact CB-CG1 3.9Å; L320-V330 HydrophobicContact CD2-CG2 3.65Å; K327-V330 PolarHBondContact O-N 2.92Å; V330-D332 WeakPolarHBondContact CG1-O 3.5Å; V330-V333 HydrophobicContact CG1-CG2 4.15Å; V330-F353 HydrophobicContact CB-CE1 3.99Å; V330-F353 HydrophobicContact CG1-CE1 4.28Å; V330-F353 HydrophobicContact CG2-CE1 4.02Å; V330-K356 WeakPolarHBondContact O-CE 3.48Å; V330-K356 PolarHBondContact O-NZ 3.5Å
331	H	94.3	Very high	94.2	Very high	80 Å²	80	50 Å²	50	37%	0.37	25%	0.25	S	C	.	.			trans	-78.2	-55.2	-178.3	-59.6	82.1	0	0	0	109.9	N193 Q329 K356	N193-H331 PolarHBondContact N-ND1 2.94Å; N193-H331 WeakPolarHBondContact O-CB 3.29Å; N193-H331 PolarHBondContact O-N 2.69Å; N193-H331 PolarHBondContact O-ND1 2.74Å; Q329-H331 PolarHBondContact O-CE1 2.74Å; Q329-H331 PolarHBondContact O-ND1 3.02Å; H331-K356 PolarHBondContact O-NZ 3.03Å
332	D	94.4	Very high	94.4	Very high	26 Å²	26	43 Å²	43	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.4	-174.4	-56.3	-64	0	0	0	111.4	Y182 R192 V194 L195 V330	Y182-D332 PolarHBondContact OH-OD2 3.39Å; R192-D332 IonicContact CZ-OD2 3.99Å; R192-D332 IonicContact NE-OD2 2.92Å; R192-D332 PolarHBondContact NE-OD2 2.85Å; R192-D332 IonicContact NH2-OD1 2.68Å; R192-D332 PolarHBondContact NH2-OD1 3.01Å; R192-D332 VanDerWaalsContact NH2-OD1 3.16Å; R192-D332 IonicContact NH2-OD2 3.84Å; R192-D332 PolarHBondContact NH2-OD2 3.43Å; V194-D332 WeakPolarHBondContact CA-O 3.45Å; V194-D332 HydrophobicContact CG1-CB 4.35Å; V194-D332 HydrophobicContact CG2-CB 4.44Å; L195-D332 PolarHBondContact N-O 2.61Å; V330-D332 WeakPolarHBondContact CG1-O 3.5Å
333	V	96.3	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.3	172.6	178.7	0	0	0	0	107.7	L195 V330 L349 F353 K356 L358 N359	L195-V333 HydrophobicContact CB-CG2 4.44Å; L195-V333 HydrophobicContact CD2-CG1 3.92Å; L195-V333 CarbonylContact O-C 3.56Å; L195-V333 WeakPolarHBondContact O-CA 3.45Å; V330-V333 HydrophobicContact CG1-CG2 4.15Å; V333-L349 HydrophobicContact CG1-CD2 3.58Å; V333-L349 HydrophobicContact CG1-CG 4.09Å; V333-F353 HydrophobicContact CG2-CD1 4.43Å; V333-F353 HydrophobicContact CG2-CD2 3.95Å; V333-F353 HydrophobicContact CG2-CE1 4.46Å; V333-F353 HydrophobicContact CG2-CE2 3.99Å; V333-F353 HydrophobicContact CG2-CG 4.2Å; V333-F353 HydrophobicContact CG2-CZ 4.27Å; V333-K356 HydrophobicContact CG2-CD 4.03Å; V333-L358 HydrophobicContact CB-CD2 3.91Å; V333-L358 HydrophobicContact CG1-CD2 3.75Å; V333-N359 WeakPolarHBondContact O-CB 3.35Å; V333-N359 PolarHBondContact O-N 3.4Å
334	V	95.6	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.3	-174.5	-178.2	0	0	0	0	109.5	Y182 V194 L195 I196 F197 V336 N359 I362	Y182-V334 HydrophobicContact CD1-CG2 4.03Å; Y182-V334 HydrophobicContact CD2-CG2 3.76Å; Y182-V334 HydrophobicContact CE1-CG2 4.22Å; Y182-V334 HydrophobicContact CE2-CG2 3.98Å; Y182-V334 HydrophobicContact CG-CG2 3.79Å; V194-V334 HydrophobicContact CG1-CG2 3.6Å; L195-V334 PolarHBondContact O-N 2.87Å; I196-V334 HydrophobicContact CD1-CB 3.81Å; I196-V334 HydrophobicContact CD1-CG1 4.27Å; I196-V334 HydrophobicContact CD1-CG2 4.14Å; F197-V334 PolarHBondContact N-O 2.82Å; V334-V336 HydrophobicContact CG1-CG2 4.3Å; V334-N359 HydrophobicContact CG2-CB 4.22Å; V334-I362 HydrophobicContact CG1-CD1 3.46Å; V334-I362 VanDerWaalsContact CG1-CD1 3.46Å; V334-I362 HydrophobicContact CG1-CG1 4.05Å
335	L	96.3	Very high	94.9	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.2	179.4	-59.4	-178.7	0	0	0	111	F197 T340 Q346 L349 L358 N359 K360	F197-L335 HydrophobicContact CB-CD2 4.3Å; F197-L335 HydrophobicContact CD1-CD2 4.31Å; L335-T340 HydrophobicContact CB-CG2 4.26Å; L335-T340 HydrophobicContact CD2-CG2 4.4Å; L335-Q346 HydrophobicContact CD1-CG 3.93Å; L335-L349 HydrophobicContact CD2-CD2 3.8Å; L335-L358 HydrophobicContact CD1-CB 4.18Å; L335-L358 HydrophobicContact CD1-CD1 4Å; L335-L358 HydrophobicContact CD2-CD1 4.24Å; L335-L358 HydrophobicContact CG-CB 4.39Å; L335-L358 HydrophobicContact CG-CD1 4.49Å; L335-N359 PolarHBondContact N-O 2.95Å; L335-K360 HydrophobicContact CD1-CG 4.39Å
336	V	94.4	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	179.5	-174.3	0	0	0	0	109.2	A178 I196 F197 D198 L199 V334 T340 A367 V368	A178-V336 HydrophobicContact CB-CB 4.35Å; A178-V336 HydrophobicContact CB-CG1 3.92Å; A178-V336 HydrophobicContact CB-CG2 3.53Å; I196-V336 HydrophobicContact CG2-CG2 3.75Å; F197-V336 PolarHBondContact O-N 3.32Å; D198-V336 WeakPolarHBondContact CA-O 3.26Å; D198-V336 HydrophobicContact CB-CB 4.02Å; D198-V336 HydrophobicContact CB-CG1 4.31Å; L199-V336 PolarHBondContact N-O 3.46Å; V334-V336 HydrophobicContact CG1-CG2 4.3Å; V336-T340 WeakPolarHBondContact O-CG2 3.38Å; V336-A367 HydrophobicContact CG1-CB 4.49Å; V336-V368 HydrophobicContact CG1-CG2 3.73Å
337	G	92.2	Very high	95.2	Very high	9 Å²	9	36.4 Å²	36.4	9%	0.093	19%	0.188	C	C	.	.	S	Bend	trans	83.7	140	-178	0	0	0	0	0	113.9	L199 S339 T340 P364	L199-G337 CarbonylContact O-C 3.59Å; L199-G337 VanDerWaalsContact O-C 3.31Å; L199-G337 WeakPolarHBondContact O-CA 3.46Å; G337-S339 PolarHBondContact O-N 3.38Å; G337-S339 VanDerWaalsContact O-N 3.13Å; G337-T340 WeakPolarHBondContact O-CB 3.22Å; G337-T340 PolarHBondContact O-N 3Å; G337-T340 VanDerWaalsContact O-N 3.1Å; G337-T340 PolarHBondContact O-OG1 2.95Å; G337-P364 PolarHBondContact N-O 3.09Å
338	G	91.6	Very high	95.3	Very high	28 Å²	28	34.9 Å²	34.9	29%	0.289	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-61.9	-23.8	-171.2	0	0	0	0	0	115.5	T340 R341 D365	G338-T340 VanDerWaalsContact C-N 3.26Å; G338-T340 PolarHBondContact O-N 2.86Å; G338-R341 WeakPolarHBondContact O-CB 3.32Å; G338-R341 WeakPolarHBondContact O-CG 3.27Å; G338-R341 PolarHBondContact O-N 3.1Å; G338-D365 WeakPolarHBondContact CA-OD1 3.48Å; G338-D365 PolarHBondContact N-OD1 3.19Å
339	S	95.3	Very high	95.4	Very high	11 Å²	11	30.4 Å²	30.4	8%	0.077	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-74.6	-16.7	179.1	-61.5	0	0	0	0	112.7	L199 G200 G229 G337 R341 I342	L199-S339 VanDerWaalsContact O-CB 3.28Å; L199-S339 WeakPolarHBondContact O-CB 3.33Å; L199-S339 PolarHBondContact O-N 2.88Å; G200-S339 WeakPolarHBondContact O-CB 3.45Å; G200-S339 PolarHBondContact O-OG 3.12Å; G229-S339 WeakPolarHBondContact CA-OG 3.38Å; G229-S339 PolarHBondContact N-OG 3.45Å; G337-S339 PolarHBondContact O-N 3.38Å; G337-S339 VanDerWaalsContact O-N 3.13Å; S339-R341 PolarHBondContact O-N 3.42Å; S339-R341 VanDerWaalsContact O-N 3.16Å; S339-I342 WeakPolarHBondContact O-CB 3.44Å; S339-I342 WeakPolarHBondContact O-CD1 3.45Å; S339-I342 VanDerWaalsContact O-CG1 3.3Å; S339-I342 WeakPolarHBondContact O-CG1 3.21Å; S339-I342 PolarHBondContact O-N 3.21Å
340	T	96	Very high	95.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-64.9	-14.1	170.6	62.8	0	0	0	0	113.4	F197 L199 L335 V336 G337 G338 I342 Q346	F197-T340 HydrophobicContact CD1-CG2 3.82Å; F197-T340 HydrophobicContact CE1-CG2 4.19Å; L199-T340 HydrophobicContact CB-CG2 3.79Å; L335-T340 HydrophobicContact CB-CG2 4.26Å; L335-T340 HydrophobicContact CD2-CG2 4.4Å; V336-T340 WeakPolarHBondContact O-CG2 3.38Å; G337-T340 WeakPolarHBondContact O-CB 3.22Å; G337-T340 PolarHBondContact O-N 3Å; G337-T340 VanDerWaalsContact O-N 3.1Å; G337-T340 PolarHBondContact O-OG1 2.95Å; G338-T340 VanDerWaalsContact C-N 3.26Å; G338-T340 PolarHBondContact O-N 2.86Å; T340-I342 PolarHBondContact O-N 3.47Å; T340-Q346 WeakPolarHBondContact O-CG 3.5Å; T340-Q346 PolarHBondContact O-NE2 3.36Å
341	R	95.2	Very high	95.5	Very high	114 Å²	114	33.5 Å²	33.5	43%	0.43	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-69.2	-12.7	174.6	-60.9	176.4	-177.1	-81.8	3.9	112.8	G338 S339 P343 N363 D365	G338-R341 WeakPolarHBondContact O-CB 3.32Å; G338-R341 WeakPolarHBondContact O-CG 3.27Å; G338-R341 PolarHBondContact O-N 3.1Å; S339-R341 PolarHBondContact O-N 3.42Å; S339-R341 VanDerWaalsContact O-N 3.16Å; R341-P343 WeakPolarHBondContact O-CD 3.25Å; R341-N363 PolarHBondContact NH2-OD1 3.35Å; R341-D365 IonicContact CZ-OD2 3.09Å; R341-D365 IonicContact NE-OD2 3.62Å; R341-D365 PolarHBondContact NE-OD2 3.29Å; R341-D365 IonicContact NH2-OD2 2.69Å; R341-D365 PolarHBondContact NH2-OD2 2.97Å
342	I	96.9	Very high	95.5	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.155	C	C	.	.			trans	-67.5	120	178.2	-64.8	168.9	0	0	0	109.8	F232 F301 F309 S339 T340 K344 V345 Q346	F232-I342 HydrophobicContact CD2-CD1 3.6Å; F232-I342 HydrophobicContact CE2-CD1 3.75Å; F301-I342 HydrophobicContact CE1-CD1 4.38Å; F301-I342 HydrophobicContact CE1-CG2 4.08Å; F301-I342 HydrophobicContact CZ-CD1 4.17Å; F309-I342 HydrophobicContact CE1-CD1 4.19Å; F309-I342 HydrophobicContact CE1-CG2 4.32Å; F309-I342 HydrophobicContact CE2-CG2 4.31Å; F309-I342 HydrophobicContact CZ-CD1 4.35Å; F309-I342 HydrophobicContact CZ-CG2 3.83Å; S339-I342 WeakPolarHBondContact O-CB 3.44Å; S339-I342 WeakPolarHBondContact O-CD1 3.45Å; S339-I342 VanDerWaalsContact O-CG1 3.3Å; S339-I342 WeakPolarHBondContact O-CG1 3.21Å; S339-I342 PolarHBondContact O-N 3.21Å; T340-I342 PolarHBondContact O-N 3.47Å; I342-K344 VanDerWaalsContact C-N 3.27Å; I342-K344 HydrophobicContact CG2-CB 4.29Å; I342-K344 PolarHBondContact O-N 3.12Å; I342-V345 HydrophobicContact CB-CB 4.36Å; I342-V345 HydrophobicContact CB-CG2 4.03Å; I342-V345 HydrophobicContact CG2-CG2 4.03Å; I342-V345 PolarHBondContact O-N 3.01Å; I342-V345 VanDerWaalsContact O-N 3.16Å; I342-Q346 PolarHBondContact O-N 3.48Å
343	P	95.7	Very high	95.7	Very high	36 Å²	36	29.7 Å²	29.7	23%	0.234	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-35.1	-175.9	-29.1	36	0	0	0	114.3	S274 R341 Q346 K347	S274-P343 WeakPolarHBondContact O-CG 3.47Å; R341-P343 WeakPolarHBondContact O-CD 3.25Å; P343-Q346 PolarHBondContact O-N 2.99Å; P343-K347 WeakPolarHBondContact O-CB 3.17Å; P343-K347 PolarHBondContact O-N 3.01Å
344	K	96.8	Very high	95.5	Very high	60 Å²	60	36.3 Å²	36.3	26%	0.261	19%	0.185	S	C	.	.	H	α-helix	trans	-67.4	-38.7	180	-172.7	55.9	174.7	179.6	0	113.2	E302 F309 I342 K347 L348	E302-K344 HydrophobicContact CB-CG 4.41Å; E302-K344 HydrophobicContact CG-CB 3.71Å; E302-K344 HydrophobicContact CG-CG 4.01Å; F309-K344 HydrophobicContact CD2-CB 3.98Å; F309-K344 HydrophobicContact CD2-CG 3.58Å; F309-K344 HydrophobicContact CE2-CB 3.97Å; F309-K344 HydrophobicContact CE2-CG 4.02Å; F309-K344 HydrophobicContact CG-CG 4.46Å; I342-K344 VanDerWaalsContact C-N 3.27Å; I342-K344 HydrophobicContact CG2-CB 4.29Å; I342-K344 PolarHBondContact O-N 3.12Å; K344-K347 PolarHBondContact O-N 2.96Å; K344-L348 HydrophobicContact CD-CG 4.43Å; K344-L348 HydrophobicContact CG-CD1 4.32Å; K344-L348 WeakPolarHBondContact O-CB 3.4Å; K344-L348 VanDerWaalsContact O-CG 3.32Å; K344-L348 WeakPolarHBondContact O-CG 3.07Å; K344-L348 PolarHBondContact O-N 2.93Å
345	V	96.4	Very high	95.3	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-49.2	175.3	173.7	0	0	0	0	109.5	F197 L199 F309 I342 K347 L348 L349	F197-V345 HydrophobicContact CE1-CG1 3.68Å; F197-V345 HydrophobicContact CZ-CG1 3.88Å; L199-V345 HydrophobicContact CD2-CG1 3.91Å; L199-V345 HydrophobicContact CD2-CG2 4.13Å; F309-V345 HydrophobicContact CD1-CG2 3.73Å; F309-V345 HydrophobicContact CE1-CG2 3.96Å; F309-V345 HydrophobicContact CG-CG2 4.27Å; I342-V345 HydrophobicContact CB-CB 4.36Å; I342-V345 HydrophobicContact CB-CG2 4.03Å; I342-V345 HydrophobicContact CG2-CG2 4.03Å; I342-V345 PolarHBondContact O-N 3.01Å; I342-V345 VanDerWaalsContact O-N 3.16Å; V345-K347 VanDerWaalsContact C-N 3.32Å; V345-K347 PolarHBondContact O-N 3.48Å; V345-L348 PolarHBondContact O-N 2.91Å; V345-L349 WeakPolarHBondContact O-CB 3.25Å; V345-L349 PolarHBondContact O-N 3.16Å
346	Q	96.6	Very high	95.2	Very high	30 Å²	30	41.3 Å²	41.3	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-45.2	176	-66.7	-173.2	10.6	0	0	111.8	L335 T340 I342 P343 L349 Q350 L358 K360	L335-Q346 HydrophobicContact CD1-CG 3.93Å; T340-Q346 WeakPolarHBondContact O-CG 3.5Å; T340-Q346 PolarHBondContact O-NE2 3.36Å; I342-Q346 PolarHBondContact O-N 3.48Å; P343-Q346 PolarHBondContact O-N 2.99Å; Q346-L349 PolarHBondContact O-N 3.22Å; Q346-Q350 WeakPolarHBondContact O-CB 3.26Å; Q346-Q350 VanDerWaalsContact O-CG 3.32Å; Q346-Q350 WeakPolarHBondContact O-CG 3.4Å; Q346-Q350 PolarHBondContact O-N 3.15Å; Q346-L358 HydrophobicContact CB-CD1 3.71Å; Q346-L358 HydrophobicContact CG-CD1 4.02Å; Q346-K360 VanDerWaalsContact OE1-CE 3.28Å
347	K	96.3	Very high	95.2	Very high	110 Å²	110	49.4 Å²	49.4	48%	0.478	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-47.1	179	-178.5	172	-179.4	175.1	0	112	P343 K344 V345 L349 Q350 D351	P343-K347 WeakPolarHBondContact O-CB 3.17Å; P343-K347 PolarHBondContact O-N 3.01Å; K344-K347 PolarHBondContact O-N 2.96Å; V345-K347 VanDerWaalsContact C-N 3.32Å; V345-K347 PolarHBondContact O-N 3.48Å; K347-L349 VanDerWaalsContact C-N 3.27Å; K347-L349 PolarHBondContact O-N 3.38Å; K347-Q350 PolarHBondContact O-N 3.41Å; K347-D351 WeakPolarHBondContact CG-OD2 3.2Å; K347-D351 VanDerWaalsContact O-CB 3.32Å; K347-D351 WeakPolarHBondContact O-CB 3.21Å; K347-D351 PolarHBondContact O-N 3.32Å
348	L	95.8	Very high	95.4	Very high	28 Å²	28	49.3 Å²	49.3	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-40.2	177.9	-74.4	170.8	0	0	0	111.6	F309 K344 V345 F352	F309-L348 HydrophobicContact CB-CD1 3.74Å; F309-L348 WeakPolarHBondContact O-CD1 3.04Å; K344-L348 HydrophobicContact CD-CG 4.43Å; K344-L348 HydrophobicContact CG-CD1 4.32Å; K344-L348 WeakPolarHBondContact O-CB 3.4Å; K344-L348 VanDerWaalsContact O-CG 3.32Å; K344-L348 WeakPolarHBondContact O-CG 3.07Å; K344-L348 PolarHBondContact O-N 2.93Å; V345-L348 PolarHBondContact O-N 2.91Å; L348-F352 VanDerWaalsContact O-CB 3.22Å; L348-F352 WeakPolarHBondContact O-CB 3.37Å; L348-F352 PolarHBondContact O-N 3.29Å
349	L	96.3	Very high	95.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-68.3	-43	177.3	-168.8	61.4	0	0	0	112.1	F197 V316 V333 L335 V345 Q346 K347 F352 F353 L358	F197-L349 HydrophobicContact CB-CD2 4.04Å; F197-L349 HydrophobicContact CD1-CD2 4.19Å; F197-L349 HydrophobicContact CD2-CD1 3.8Å; F197-L349 HydrophobicContact CD2-CD2 3.65Å; F197-L349 HydrophobicContact CD2-CG 4.37Å; F197-L349 HydrophobicContact CE2-CD1 3.92Å; F197-L349 HydrophobicContact CE2-CD2 4.08Å; F197-L349 HydrophobicContact CG-CD2 3.7Å; V316-L349 HydrophobicContact CG1-CD1 4.46Å; V316-L349 HydrophobicContact CG2-CD1 4.23Å; V333-L349 HydrophobicContact CG1-CD2 3.58Å; V333-L349 HydrophobicContact CG1-CG 4.09Å; L335-L349 HydrophobicContact CD2-CD2 3.8Å; V345-L349 WeakPolarHBondContact O-CB 3.25Å; V345-L349 PolarHBondContact O-N 3.16Å; Q346-L349 PolarHBondContact O-N 3.22Å; K347-L349 VanDerWaalsContact C-N 3.27Å; K347-L349 PolarHBondContact O-N 3.38Å; L349-F352 PolarHBondContact O-N 3.33Å; L349-F353 HydrophobicContact CD1-CD2 3.98Å; L349-F353 HydrophobicContact CD1-CE2 3.79Å; L349-F353 HydrophobicContact CG-CD2 4.33Å; L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.21Å; L349-L358 HydrophobicContact CD2-CD1 4.47Å; L349-L358 HydrophobicContact CD2-CD2 4.05Å; L349-L358 HydrophobicContact CG-CD2 4.09Å
350	Q	96	Very high	95.1	Very high	61 Å²	61	54.9 Å²	54.9	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-49.6	173.7	-76.4	177.4	-23.6	0	0	111.8	Q346 K347 F352 F353 N354 G355 L358	Q346-Q350 WeakPolarHBondContact O-CB 3.26Å; Q346-Q350 VanDerWaalsContact O-CG 3.32Å; Q346-Q350 WeakPolarHBondContact O-CG 3.4Å; Q346-Q350 PolarHBondContact O-N 3.15Å; K347-Q350 PolarHBondContact O-N 3.41Å; Q350-F352 VanDerWaalsContact C-N 3.26Å; Q350-F352 PolarHBondContact O-N 2.84Å; Q350-F353 CarbonylContact O-C 3.54Å; Q350-F353 VanDerWaalsContact O-C 3.31Å; Q350-F353 PolarHBondContact O-N 3.3Å; Q350-F353 VanDerWaalsContact O-N 3.12Å; Q350-N354 PolarHBondContact O-N 3.23Å; Q350-G355 PolarHBondContact O-N 3.27Å; Q350-L358 HydrophobicContact CG-CD1 3.67Å; Q350-L358 HydrophobicContact CG-CD2 3.89Å; Q350-L358 HydrophobicContact CG-CG 3.46Å; Q350-L358 VanDerWaalsContact CG-CG 3.46Å
351	D	96.2	Very high	94.6	Very high	91 Å²	91	58.7 Å²	58.7	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-42.4	178.3	-68.7	-16	0	0	0	109.7	K347 F353 N354	K347-D351 WeakPolarHBondContact CG-OD2 3.2Å; K347-D351 VanDerWaalsContact O-CB 3.32Å; K347-D351 WeakPolarHBondContact O-CB 3.21Å; K347-D351 PolarHBondContact O-N 3.32Å; D351-F353 VanDerWaalsContact C-N 3.31Å; D351-F353 PolarHBondContact O-N 3.05Å; D351-N354 PolarHBondContact O-N 3.42Å; D351-N354 VanDerWaalsContact O-N 3.14Å
352	F	96.3	Very high	94.4	Very high	19 Å²	19	54.7 Å²	54.7	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-36.2	177.1	-179	-89.4	0	0	0	113	L313 V316 E317 L320 K327 L348 L349 Q350 N354	L313-F352 HydrophobicContact CD1-CD2 4.28Å; L313-F352 HydrophobicContact CD2-CB 3.97Å; L313-F352 HydrophobicContact CD2-CD2 4.14Å; L313-F352 HydrophobicContact CD2-CG 4.06Å; V316-F352 HydrophobicContact CG1-CD1 4.02Å; V316-F352 HydrophobicContact CG1-CE1 3.53Å; V316-F352 HydrophobicContact CG1-CZ 4.08Å; E317-F352 HydrophobicContact CB-CZ 4.46Å; E317-F352 HydrophobicContact CG-CE2 3.39Å; E317-F352 HydrophobicContact CG-CZ 3.44Å; E317-F352 VanDerWaalsContact CG-CZ 3.44Å; L320-F352 HydrophobicContact CD1-CE1 3.62Å; L320-F352 HydrophobicContact CD1-CZ 3.98Å; K327-F352 HydrophobicContact CD-CD1 4.23Å; K327-F352 HydrophobicContact CD-CE1 3.89Å; K327-F352 HydrophobicContact CD-CZ 4.24Å; K327-F352 VanDerWaalsContact CD-O 3.23Å; K327-F352 WeakPolarHBondContact CD-O 3.43Å; K327-F352 HydrophobicContact CG-CE1 4.24Å; K327-F352 VanDerWaalsContact NZ-CD2 3.32Å; K327-F352 VanDerWaalsContact NZ-CZ 3.3Å; K327-F352 PolarHBondContact NZ-O 3.45Å; L348-F352 VanDerWaalsContact O-CB 3.22Å; L348-F352 WeakPolarHBondContact O-CB 3.37Å; L348-F352 PolarHBondContact O-N 3.29Å; L349-F352 PolarHBondContact O-N 3.33Å; Q350-F352 VanDerWaalsContact C-N 3.26Å; Q350-F352 PolarHBondContact O-N 2.84Å; F352-N354 VanDerWaalsContact C-N 3.34Å
353	F	96.6	Very high	94.1	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.031	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	27.4	175.3	-77.6	-79.9	0	0	0	113.4	L195 V316 L320 K327 V330 V333 L349 Q350 D351 G355 K356	L195-F353 HydrophobicContact CD1-CE2 4.24Å; L195-F353 HydrophobicContact CD1-CZ 3.81Å; V316-F353 HydrophobicContact CG1-CE2 3.94Å; V316-F353 HydrophobicContact CG1-CZ 4.12Å; L320-F353 HydrophobicContact CD1-CE1 4.34Å; L320-F353 HydrophobicContact CD1-CZ 4.12Å; K327-F353 HydrophobicContact CB-CD1 3.99Å; K327-F353 HydrophobicContact CB-CE1 4.1Å; K327-F353 HydrophobicContact CG-CE1 4.4Å; V330-F353 HydrophobicContact CB-CE1 3.99Å; V330-F353 HydrophobicContact CG1-CE1 4.28Å; V330-F353 HydrophobicContact CG2-CE1 4.02Å; V333-F353 HydrophobicContact CG2-CD1 4.43Å; V333-F353 HydrophobicContact CG2-CD2 3.95Å; V333-F353 HydrophobicContact CG2-CE1 4.46Å; V333-F353 HydrophobicContact CG2-CE2 3.99Å; V333-F353 HydrophobicContact CG2-CG 4.2Å; V333-F353 HydrophobicContact CG2-CZ 4.27Å; L349-F353 HydrophobicContact CD1-CD2 3.98Å; L349-F353 HydrophobicContact CD1-CE2 3.79Å; L349-F353 HydrophobicContact CG-CD2 4.33Å; L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.21Å; Q350-F353 CarbonylContact O-C 3.54Å; Q350-F353 VanDerWaalsContact O-C 3.31Å; Q350-F353 PolarHBondContact O-N 3.3Å; Q350-F353 VanDerWaalsContact O-N 3.12Å; D351-F353 VanDerWaalsContact C-N 3.31Å; D351-F353 PolarHBondContact O-N 3.05Å; F353-G355 VanDerWaalsContact C-N 3.31Å; F353-G355 PolarHBondContact O-N 2.9Å; F353-K356 HydrophobicContact CB-CB 3.83Å; F353-K356 HydrophobicContact CB-CD 4.44Å; F353-K356 WeakPolarHBondContact O-CB 3.44Å; F353-K356 PolarHBondContact O-N 2.96Å
354	N	94	Very high	93.9	Very high	140 Å²	140	56.4 Å²	56.4	75%	0.749	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	38.3	174.6	-55.7	-39	0	0	0	114.1	Q350 D351 F352	Q350-N354 PolarHBondContact O-N 3.23Å; D351-N354 PolarHBondContact O-N 3.42Å; D351-N354 VanDerWaalsContact O-N 3.14Å; F352-N354 VanDerWaalsContact C-N 3.34Å
355	G	91	Very high	93.7	Very high	56 Å²	56	56.4 Å²	56.4	58%	0.577	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	10.8	178.5	0	0	0	0	0	114.9	Q350 F353 E357	Q350-G355 PolarHBondContact O-N 3.27Å; F353-G355 VanDerWaalsContact C-N 3.31Å; F353-G355 PolarHBondContact O-N 2.9Å; G355-E357 PolarHBondContact O-N 3.47Å
356	K	94.4	Very high	93.6	Very high	57 Å²	57	57.8 Å²	57.8	25%	0.248	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-54.4	134.5	174.2	-177.1	-177.1	-75.7	-77.9	0	110.9	V330 H331 V333 F353 L358	V330-K356 WeakPolarHBondContact O-CE 3.48Å; V330-K356 PolarHBondContact O-NZ 3.5Å; H331-K356 PolarHBondContact O-NZ 3.03Å; V333-K356 HydrophobicContact CG2-CD 4.03Å; F353-K356 HydrophobicContact CB-CB 3.83Å; F353-K356 HydrophobicContact CB-CD 4.44Å; F353-K356 WeakPolarHBondContact O-CB 3.44Å; F353-K356 PolarHBondContact O-N 2.96Å; K356-L358 PolarHBondContact O-N 3.48Å
357	E	94.6	Very high	93.5	Very high	171 Å²	171	56.5 Å²	56.5	80%	0.799	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-66.1	131.9	176	-170.2	173.2	-175.9	0	0	110.8	G355	G355-E357 PolarHBondContact O-N 3.47Å
358	L	95.4	Very high	93.4	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-84.5	136.3	179	-56.8	178.9	0	0	0	109.7	V333 L335 Q346 L349 Q350 K356 K360	V333-L358 HydrophobicContact CB-CD2 3.91Å; V333-L358 HydrophobicContact CG1-CD2 3.75Å; L335-L358 HydrophobicContact CD1-CB 4.18Å; L335-L358 HydrophobicContact CD1-CD1 4Å; L335-L358 HydrophobicContact CD2-CD1 4.24Å; L335-L358 HydrophobicContact CG-CB 4.39Å; L335-L358 HydrophobicContact CG-CD1 4.49Å; Q346-L358 HydrophobicContact CB-CD1 3.71Å; Q346-L358 HydrophobicContact CG-CD1 4.02Å; L349-L358 HydrophobicContact CD2-CD1 4.47Å; L349-L358 HydrophobicContact CD2-CD2 4.05Å; L349-L358 HydrophobicContact CG-CD2 4.09Å; Q350-L358 HydrophobicContact CG-CD1 3.67Å; Q350-L358 HydrophobicContact CG-CD2 3.89Å; Q350-L358 HydrophobicContact CG-CG 3.46Å; Q350-L358 VanDerWaalsContact CG-CG 3.46Å; K356-L358 PolarHBondContact O-N 3.48Å; L358-K360 PolarHBondContact O-N 2.92Å
359	N	91.8	Very high	93.5	Very high	27 Å²	27	50.3 Å²	50.3	14%	0.144	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-78.2	122.3	-179.3	-166.3	-48.7	0	0	0	110.9	Y182 V333 V334 L335 S361	Y182-N359 VanDerWaalsContact CE2-ND2 3.32Å; Y182-N359 WeakPolarHBondContact CE2-ND2 3.47Å; V333-N359 WeakPolarHBondContact O-CB 3.35Å; V333-N359 PolarHBondContact O-N 3.4Å; V334-N359 HydrophobicContact CG2-CB 4.22Å; L335-N359 PolarHBondContact N-O 2.95Å; N359-S361 WeakPolarHBondContact OD1-CB 3.23Å; N359-S361 PolarHBondContact OD1-N 2.95Å; N359-S361 PolarHBondContact OD1-OG 3.08Å
360	K	88.6	Confident	93.4	Very high	130 Å²	130	53.2 Å²	53.2	57%	0.565	28%	0.283	S	S	*	.			trans	-121.8	22.2	179.8	-59.4	176.6	-178.5	179.7	0	111.8	L335 Q346 L358 I362	L335-K360 HydrophobicContact CD1-CG 4.39Å; Q346-K360 VanDerWaalsContact OE1-CE 3.28Å; L358-K360 PolarHBondContact O-N 2.92Å; K360-I362 VanDerWaalsContact C-N 3.31Å; K360-I362 PolarHBondContact O-N 2.86Å
361	S	86.1	Confident	93.3	Very high	82 Å²	82	50.3 Å²	50.3	57%	0.573	27%	0.269	S	S	*	.	S	Bend	trans	-74.5	-21.2	-174	69.8	0	0	0	0	113.5	N359	N359-S361 WeakPolarHBondContact OD1-CB 3.23Å; N359-S361 PolarHBondContact OD1-N 2.95Å; N359-S361 PolarHBondContact OD1-OG 3.08Å
362	I	89.6	Confident	93.3	Very high	29 Å²	29	46 Å²	46	15%	0.149	25%	0.246	C	C	.	.	S	Bend	trans	-107	152	176.7	67	179.2	0	0	0	110.6	V334 K360 P364 A367	V334-I362 HydrophobicContact CG1-CD1 3.46Å; V334-I362 VanDerWaalsContact CG1-CD1 3.46Å; V334-I362 HydrophobicContact CG1-CG1 4.05Å; K360-I362 VanDerWaalsContact C-N 3.31Å; K360-I362 PolarHBondContact O-N 2.86Å; I362-P364 WeakPolarHBondContact O-CD 3.31Å; I362-A367 HydrophobicContact CD1-CB 3.64Å; I362-A367 HydrophobicContact CG1-CB 4.25Å
363	N	91.5	Very high	93.3	Very high	59 Å²	59	45 Å²	45	32%	0.316	24%	0.242	S	C	.	.			trans	-74.8	116.2	173.5	-174.8	-9.5	0	0	0	109.5	R341 D365 E366 A367	R341-N363 PolarHBondContact NH2-OD1 3.35Å; N363-D365 PolarHBondContact O-N 3.24Å; N363-D365 VanDerWaalsContact O-N 3.16Å; N363-D365 PolarHBondContact OD1-N 3.12Å; N363-E366 HydrophobicContact CB-CB 4.18Å; N363-E366 HydrophobicContact CB-CG 4.38Å; N363-E366 PolarHBondContact ND2-OE1 3.12Å; N363-E366 PolarHBondContact ND2-OE2 3.26Å; N363-E366 VanDerWaalsContact ND2-OE2 3.17Å; N363-E366 PolarHBondContact O-N 3.42Å; N363-E366 VanDerWaalsContact O-N 3.14Å; N363-A367 WeakPolarHBondContact O-CB 3.08Å; N363-A367 PolarHBondContact O-N 3.41Å
364	P	92.3	Very high	93.1	Very high	18 Å²	18	44.7 Å²	44.7	12%	0.117	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.3	-173.3	25.5	-35.9	0	0	0	113.6	G337 I362	G337-P364 PolarHBondContact N-O 3.09Å; I362-P364 WeakPolarHBondContact O-CD 3.31Å
365	D	91.4	Very high	92.9	Very high	60 Å²	60	38.4 Å²	38.4	32%	0.321	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.3	-178.6	-59.5	-59.8	0	0	0	113	G338 R341 N363	G338-D365 WeakPolarHBondContact CA-OD1 3.48Å; G338-D365 PolarHBondContact N-OD1 3.19Å; R341-D365 IonicContact CZ-OD2 3.09Å; R341-D365 IonicContact NE-OD2 3.62Å; R341-D365 PolarHBondContact NE-OD2 3.29Å; R341-D365 IonicContact NH2-OD2 2.69Å; R341-D365 PolarHBondContact NH2-OD2 2.97Å; N363-D365 PolarHBondContact O-N 3.24Å; N363-D365 VanDerWaalsContact O-N 3.16Å; N363-D365 PolarHBondContact OD1-N 3.12Å
366	E	94.3	Very high	93.1	Very high	29 Å²	29	35.7 Å²	35.7	14%	0.136	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-19.3	-175.2	-63.5	171.5	-175.9	0	0	112.5	I27 R35 N363 V368 A369 Y370	I27-E366 HydrophobicContact CG1-CB 4.23Å; I27-E366 HydrophobicContact CG2-CG 4.33Å; R35-E366 WeakPolarHBondContact CD-OE1 3.32Å; R35-E366 IonicContact CZ-OE1 3.15Å; R35-E366 IonicContact NE-OE1 2.64Å; R35-E366 IonicContact NH1-OE1 3.18Å; R35-E366 PolarHBondContact NH1-OE1 2.85Å; R35-E366 VanDerWaalsContact NH1-OE1 3.14Å; R35-E366 IonicContact NH1-OE2 3.21Å; R35-E366 PolarHBondContact NH1-OE2 3.26Å; N363-E366 HydrophobicContact CB-CB 4.18Å; N363-E366 HydrophobicContact CB-CG 4.38Å; N363-E366 PolarHBondContact ND2-OE1 3.12Å; N363-E366 PolarHBondContact ND2-OE2 3.26Å; N363-E366 VanDerWaalsContact ND2-OE2 3.17Å; N363-E366 PolarHBondContact O-N 3.42Å; N363-E366 VanDerWaalsContact O-N 3.14Å; E366-V368 VanDerWaalsContact C-N 3.29Å; E366-V368 PolarHBondContact O-N 2.67Å; E366-A369 PolarHBondContact O-N 2.9Å; E366-Y370 WeakPolarHBondContact O-CB 3.26Å; E366-Y370 PolarHBondContact O-N 3.31Å
367	A	94.3	Very high	92.9	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-39.8	-171.9	0	0	0	0	0	114	A178 A181 V336 I362 N363 Y370 G371	A178-A367 HydrophobicContact CB-CB 4.24Å; A181-A367 HydrophobicContact CB-CB 4.38Å; A181-A367 VanDerWaalsContact CB-O 3.27Å; A181-A367 WeakPolarHBondContact CB-O 3.46Å; V336-A367 HydrophobicContact CG1-CB 4.49Å; I362-A367 HydrophobicContact CD1-CB 3.64Å; I362-A367 HydrophobicContact CG1-CB 4.25Å; N363-A367 WeakPolarHBondContact O-CB 3.08Å; N363-A367 PolarHBondContact O-N 3.41Å; A367-Y370 WeakPolarHBondContact O-CB 3.34Å; A367-Y370 PolarHBondContact O-N 3.14Å; A367-G371 PolarHBondContact O-N 3.08Å
368	V	95.4	Very high	92.6	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-67.2	-51.2	-179.1	175.5	0	0	0	0	110.9	D9 T144 E174 A177 A178 V336 E366 Y370 G371 A372	D9-V368 HydrophobicContact CB-CB 4.2Å; D9-V368 HydrophobicContact CB-CG1 3.84Å; D9-V368 WeakPolarHBondContact OD1-CG1 3.38Å; T144-V368 HydrophobicContact CG2-CG1 3.43Å; T144-V368 VanDerWaalsContact CG2-CG1 3.43Å; E174-V368 HydrophobicContact CB-CG1 4.17Å; E174-V368 HydrophobicContact CB-CG2 4.34Å; E174-V368 HydrophobicContact CG-CG1 3.86Å; A177-V368 HydrophobicContact CB-CG1 4.41Å; A178-V368 HydrophobicContact CB-CG2 4.29Å; V336-V368 HydrophobicContact CG1-CG2 3.73Å; E366-V368 VanDerWaalsContact C-N 3.29Å; E366-V368 PolarHBondContact O-N 2.67Å; V368-Y370 PolarHBondContact O-N 3.06Å; V368-G371 PolarHBondContact O-N 3.27Å; V368-A372 WeakPolarHBondContact O-CB 3.44Å; V368-A372 PolarHBondContact O-N 3.01Å
369	A	96.7	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-35.3	176.1	0	0	0	0	0	111.6	D9 C16 I27 E366 A372 A373	D9-A369 HydrophobicContact CB-CB 3.87Å; C16-A369 HydrophobicContact CB-CB 3.76Å; C16-A369 VanDerWaalsContact SG-CB 3.6Å; I27-A369 HydrophobicContact CD1-CB 4.26Å; E366-A369 PolarHBondContact O-N 2.9Å; A369-A372 PolarHBondContact O-N 3.37Å; A369-A373 WeakPolarHBondContact O-CB 3.44Å; A369-A373 PolarHBondContact O-N 3.42Å
370	Y	95.5	Very high	92.1	Very high	63 Å²	63	29.8 Å²	29.8	25%	0.247	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-53.3	175.7	-169	-72.9	0	0	0	111.2	V25 I27 A181 L184 E366 A367 V368 A372 A373 V374	V25-Y370 HydrophobicContact CB-CD1 4.2Å; V25-Y370 HydrophobicContact CB-CD2 3.68Å; V25-Y370 HydrophobicContact CB-CE1 3.98Å; V25-Y370 HydrophobicContact CB-CE2 3.46Å; V25-Y370 VanDerWaalsContact CB-CE2 3.46Å; V25-Y370 HydrophobicContact CB-CG 4.05Å; V25-Y370 HydrophobicContact CG1-CD2 3.74Å; V25-Y370 HydrophobicContact CG1-CE2 4.06Å; V25-Y370 HydrophobicContact CG1-CG 3.99Å; V25-Y370 HydrophobicContact CG2-CD1 3.9Å; V25-Y370 HydrophobicContact CG2-CD2 4.3Å; V25-Y370 HydrophobicContact CG2-CE1 3.63Å; V25-Y370 HydrophobicContact CG2-CE2 4.08Å; V25-Y370 HydrophobicContact CG2-CG 4.21Å; I27-Y370 HydrophobicContact CD1-CD2 4.5Å; A181-Y370 HydrophobicContact CB-CD1 3.59Å; A181-Y370 HydrophobicContact CB-CE1 4.43Å; A181-Y370 HydrophobicContact CB-CG 4.08Å; L184-Y370 HydrophobicContact CD1-CD1 4.42Å; L184-Y370 HydrophobicContact CD1-CE1 3.61Å; E366-Y370 WeakPolarHBondContact O-CB 3.26Å; E366-Y370 PolarHBondContact O-N 3.31Å; A367-Y370 WeakPolarHBondContact O-CB 3.34Å; A367-Y370 PolarHBondContact O-N 3.14Å; V368-Y370 PolarHBondContact O-N 3.06Å; Y370-A372 VanDerWaalsContact C-N 3.33Å; Y370-A372 PolarHBondContact O-N 3.32Å; Y370-A373 WeakPolarHBondContact O-CB 3.21Å; Y370-A373 PolarHBondContact O-N 3.35Å; Y370-A373 VanDerWaalsContact O-N 3.16Å; Y370-V374 HydrophobicContact CD1-CG2 4.18Å; Y370-V374 HydrophobicContact CE1-CG2 4.12Å; Y370-V374 WeakPolarHBondContact O-CG2 2.98Å; Y370-V374 PolarHBondContact O-N 3.15Å; Y370-V374 VanDerWaalsContact O-N 3.17Å
371	G	94	Very high	91.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-37.6	177.4	0	0	0	0	0	113.5	A177 A367 V368 A373 V374 Q375	A177-G371 VanDerWaalsContact O-CA 3.28Å; A177-G371 WeakPolarHBondContact O-CA 3.45Å; A367-G371 PolarHBondContact O-N 3.08Å; V368-G371 PolarHBondContact O-N 3.27Å; G371-A373 VanDerWaalsContact C-N 3.29Å; G371-A373 PolarHBondContact O-N 3.15Å; G371-V374 WeakPolarHBondContact O-CB 3.43Å; G371-V374 PolarHBondContact O-N 3.48Å; G371-Q375 PolarHBondContact O-N 3.32Å
372	A	95.6	Very high	91.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-37.7	174.3	0	0	0	0	0	111.9	G7 V142 T144 V368 A369 Y370 Q375 A376	G7-A372 VanDerWaalsContact CA-C 3.49Å; V142-A372 HydrophobicContact CG1-CB 4.32Å; T144-A372 HydrophobicContact CG2-CB 3.64Å; V368-A372 WeakPolarHBondContact O-CB 3.44Å; V368-A372 PolarHBondContact O-N 3.01Å; A369-A372 PolarHBondContact O-N 3.37Å; Y370-A372 VanDerWaalsContact C-N 3.33Å; Y370-A372 PolarHBondContact O-N 3.32Å; A372-Q375 PolarHBondContact O-N 3.5Å; A372-A376 WeakPolarHBondContact O-CB 3.29Å; A372-A376 PolarHBondContact O-N 3.21Å
373	A	95.1	Very high	91	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.6	-36.9	178.8	0	0	0	0	0	111.7	V25 A369 Y370 G371 A376 A377	V25-A373 HydrophobicContact CG1-CB 3.68Å; V25-A373 HydrophobicContact CG2-CB 4.28Å; A369-A373 WeakPolarHBondContact O-CB 3.44Å; A369-A373 PolarHBondContact O-N 3.42Å; Y370-A373 WeakPolarHBondContact O-CB 3.21Å; Y370-A373 PolarHBondContact O-N 3.35Å; Y370-A373 VanDerWaalsContact O-N 3.16Å; G371-A373 VanDerWaalsContact C-N 3.29Å; G371-A373 PolarHBondContact O-N 3.15Å; A373-A376 PolarHBondContact O-N 2.79Å; A373-A377 PolarHBondContact O-N 3.37Å
374	V	92.7	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-47.4	171.9	179.1	0	0	0	0	110.1	V25 I180 L184 Y370 G371 A376 A377 I378 V387 L390	V25-V374 HydrophobicContact CG2-CG2 3.49Å; V25-V374 VanDerWaalsContact CG2-CG2 3.49Å; I180-V374 HydrophobicContact CG2-CB 3.83Å; I180-V374 HydrophobicContact CG2-CG1 3.66Å; I180-V374 HydrophobicContact CG2-CG2 4.19Å; L184-V374 HydrophobicContact CD1-CB 4.46Å; L184-V374 HydrophobicContact CD1-CG1 4.23Å; L184-V374 HydrophobicContact CD1-CG2 3.47Å; L184-V374 VanDerWaalsContact CD1-CG2 3.47Å; Y370-V374 HydrophobicContact CD1-CG2 4.18Å; Y370-V374 HydrophobicContact CE1-CG2 4.12Å; Y370-V374 WeakPolarHBondContact O-CG2 2.98Å; Y370-V374 PolarHBondContact O-N 3.15Å; Y370-V374 VanDerWaalsContact O-N 3.17Å; G371-V374 WeakPolarHBondContact O-CB 3.43Å; G371-V374 PolarHBondContact O-N 3.48Å; V374-A376 VanDerWaalsContact C-N 3.3Å; V374-A376 PolarHBondContact O-N 3.4Å; V374-A377 VanDerWaalsContact O-CB 3.3Å; V374-A377 WeakPolarHBondContact O-CB 3.29Å; V374-A377 PolarHBondContact O-N 3.18Å; V374-A377 VanDerWaalsContact O-N 3.11Å; V374-I378 HydrophobicContact CG1-CD1 4.23Å; V374-I378 WeakPolarHBondContact O-CG1 3.4Å; V374-I378 PolarHBondContact O-N 3.35Å; V374-V387 HydrophobicContact CG1-CG1 3.9Å; V374-L390 HydrophobicContact CG1-CD1 3.57Å
375	Q	91.4	Very high	89.8	Confident	7 Å²	7	39.2 Å²	39.2	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-38.8	177.7	-171.6	62	33.8	0	0	112.1	V142 I172 G371 A372 A377 I378 L379	V142-Q375 HydrophobicContact CG1-CB 4.26Å; V142-Q375 HydrophobicContact CG1-CG 4.18Å; V142-Q375 HydrophobicContact CG2-CB 4.49Å; V142-Q375 HydrophobicContact CG2-CG 4.28Å; I172-Q375 HydrophobicContact CD1-CB 4.18Å; I172-Q375 HydrophobicContact CD1-CG 4.05Å; G371-Q375 PolarHBondContact O-N 3.32Å; A372-Q375 PolarHBondContact O-N 3.5Å; Q375-A377 VanDerWaalsContact C-N 3.31Å; Q375-A377 PolarHBondContact O-N 3.48Å; Q375-I378 PolarHBondContact O-N 3.38Å; Q375-L379 HydrophobicContact CG-CD1 4.15Å; Q375-L379 WeakPolarHBondContact O-CG 3.29Å; Q375-L379 PolarHBondContact O-N 3.26Å
376	A	93.5	Very high	88.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-38.4	175	0	0	0	0	0	111.7	A5 V6 V142 A372 A373 V374 S380	A5-A376 HydrophobicContact CB-CB 3.94Å; V6-A376 WeakPolarHBondContact O-CB 3.32Å; V142-A376 HydrophobicContact CB-CB 4.16Å; V142-A376 HydrophobicContact CG2-CB 3.79Å; A372-A376 WeakPolarHBondContact O-CB 3.29Å; A372-A376 PolarHBondContact O-N 3.21Å; A373-A376 PolarHBondContact O-N 2.79Å; V374-A376 VanDerWaalsContact C-N 3.3Å; V374-A376 PolarHBondContact O-N 3.4Å; A376-S380 VanDerWaalsContact O-CB 3.28Å; A376-S380 WeakPolarHBondContact O-CB 3.5Å; A376-S380 PolarHBondContact O-N 2.79Å; A376-S380 PolarHBondContact O-OG 3.1Å
377	A	91.4	Very high	88.2	Confident	7 Å²	7	36.4 Å²	36.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-47.4	175.8	0	0	0	0	0	111.9	F20 A373 V374 Q375 L379 S380 G381 D382	F20-A377 HydrophobicContact CB-CB 3.55Å; F20-A377 HydrophobicContact CD1-CB 3.82Å; F20-A377 HydrophobicContact CD2-CB 4.45Å; F20-A377 HydrophobicContact CG-CB 3.69Å; A373-A377 PolarHBondContact O-N 3.37Å; V374-A377 VanDerWaalsContact O-CB 3.3Å; V374-A377 WeakPolarHBondContact O-CB 3.29Å; V374-A377 PolarHBondContact O-N 3.18Å; V374-A377 VanDerWaalsContact O-N 3.11Å; Q375-A377 VanDerWaalsContact C-N 3.31Å; Q375-A377 PolarHBondContact O-N 3.48Å; A377-L379 PolarHBondContact O-N 2.96Å; A377-S380 PolarHBondContact O-N 3.41Å; A377-G381 PolarHBondContact O-N 3.2Å; A377-D382 HydrophobicContact CB-CB 4.02Å; A377-D382 WeakPolarHBondContact O-CB 3.07Å; A377-D382 PolarHBondContact O-N 3.04Å
378	I	88.5	Confident	87.1	Confident	48 Å²	48	41.5 Å²	41.5	25%	0.246	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-49.9	177.2	-63.6	165.5	0	0	0	110.3	V374 Q375 S380 G381 V387 L390	V374-I378 HydrophobicContact CG1-CD1 4.23Å; V374-I378 WeakPolarHBondContact O-CG1 3.4Å; V374-I378 PolarHBondContact O-N 3.35Å; Q375-I378 PolarHBondContact O-N 3.38Å; I378-S380 PolarHBondContact O-N 2.84Å; I378-G381 PolarHBondContact O-N 3.35Å; I378-G381 VanDerWaalsContact O-N 3.08Å; I378-V387 HydrophobicContact CG1-CB 4.05Å; I378-L390 HydrophobicContact CD1-CB 3.69Å; I378-L390 HydrophobicContact CD1-CD1 3.89Å; I378-L390 HydrophobicContact CD1-CG 4.43Å
379	L	88.5	Confident	86.2	Confident	60 Å²	60	46.1 Å²	46.1	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-70.1	-21.9	-177.8	-67.2	174	0	0	0	113.4	V142 L169 R170 Q375 A377 G381	V142-L379 HydrophobicContact CG2-CD1 3.89Å; L169-L379 HydrophobicContact CB-CD1 4.11Å; L169-L379 HydrophobicContact CD1-CB 4.08Å; R170-L379 HydrophobicContact CB-CD1 3.48Å; R170-L379 VanDerWaalsContact CB-CD1 3.48Å; R170-L379 HydrophobicContact CG-CD1 4.37Å; Q375-L379 HydrophobicContact CG-CD1 4.15Å; Q375-L379 WeakPolarHBondContact O-CG 3.29Å; Q375-L379 PolarHBondContact O-N 3.26Å; A377-L379 PolarHBondContact O-N 2.96Å; L379-G381 VanDerWaalsContact C-N 3.27Å
380	S	87.3	Confident	85.6	Confident	22 Å²	22	47.2 Å²	47.2	15%	0.154	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.8	174.1	-58.3	0	0	0	0	113.4	A5 A376 A377 I378	A5-S380 WeakPolarHBondContact CB-OG 3.44Å; A376-S380 VanDerWaalsContact O-CB 3.28Å; A376-S380 WeakPolarHBondContact O-CB 3.5Å; A376-S380 PolarHBondContact O-N 2.79Å; A376-S380 PolarHBondContact O-OG 3.1Å; A377-S380 PolarHBondContact O-N 3.41Å; I378-S380 PolarHBondContact O-N 2.84Å
381	G	82.6	Confident	85	Confident	43 Å²	43	48.5 Å²	48.5	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	30.8	179.6	0	0	0	0	0	113.9	A377 I378 L379	A377-G381 PolarHBondContact O-N 3.2Å; I378-G381 PolarHBondContact O-N 3.35Å; I378-G381 VanDerWaalsContact O-N 3.08Å; L379-G381 VanDerWaalsContact C-N 3.27Å
382	D	81	Confident	84.6	Confident	63 Å²	63	50 Å²	50	34%	0.337	26%	0.263	S	S	.	.			trans	-60.9	137.9	170.4	-158.1	-54.8	0	0	0	110	A377 H384 V387	A377-D382 HydrophobicContact CB-CB 4.02Å; A377-D382 WeakPolarHBondContact O-CB 3.07Å; A377-D382 PolarHBondContact O-N 3.04Å; D382-H384 WeakPolarHBondContact OD1-CB 3.47Å; D382-H384 PolarHBondContact OD1-N 2.75Å; D382-V387 HydrophobicContact CB-CG2 4.3Å
383	K	78	Confident	84.1	Confident	171 Å²	171	52.5 Å²	52.5	74%	0.743	28%	0.276	S	S	*	.			trans	-110.3	15	-173.8	-68.5	-171.7	174.7	-175.5	0	112.1	Q388	K383-Q388 VanDerWaalsContact C-NE2 3.31Å; K383-Q388 PolarHBondContact O-NE2 2.69Å
384	H	79.7	Confident	83.7	Confident	80 Å²	80	53.2 Å²	53.2	37%	0.37	28%	0.28	S	S	.	.			trans	-67.3	137.7	176.2	-161.2	-91.3	0	0	0	111.4	F20 G23 D382 A386 V387 Q388	F20-H384 HydrophobicContact CE1-CB 3.93Å; F20-H384 HydrophobicContact CZ-CB 4.08Å; G23-H384 VanDerWaalsContact CA-CE1 3.41Å; G23-H384 WeakPolarHBondContact CA-CE1 3.26Å; G23-H384 VanDerWaalsContact CA-NE2 3.33Å; G23-H384 WeakPolarHBondContact CA-NE2 3.44Å; D382-H384 WeakPolarHBondContact OD1-CB 3.47Å; D382-H384 PolarHBondContact OD1-N 2.75Å; H384-A386 VanDerWaalsContact ND1-CB 3.28Å; H384-A386 WeakPolarHBondContact ND1-CB 3.32Å; H384-A386 PolarHBondContact ND1-N 2.82Å; H384-A386 PolarHBondContact O-N 2.96Å; H384-V387 HydrophobicContact CB-CG2 4.37Å; H384-V387 WeakPolarHBondContact O-CG2 3.41Å; H384-V387 PolarHBondContact O-N 2.77Å; H384-Q388 PolarHBondContact O-N 3.34Å
385	E	78	Confident	83.3	Confident	160 Å²	160	53.4 Å²	53.4	75%	0.748	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24	-179.7	-64.6	179.4	174.7	0	0	113.1	K187 V387	K187-E385 PolarHBondContact NZ-O 3.45Å; K187-E385 VanDerWaalsContact NZ-O 3.13Å; E385-V387 VanDerWaalsContact C-N 3.27Å; E385-V387 PolarHBondContact O-N 3.28Å
386	A	73.6	Confident	82.9	Confident	28 Å²	28	53.3 Å²	53.3	23%	0.231	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.6	175.9	0	0	0	0	0	112.9	F20 L184 H384	F20-A386 HydrophobicContact CZ-CB 4.45Å; L184-A386 WeakPolarHBondContact CD2-O 3.37Å; H384-A386 VanDerWaalsContact ND1-CB 3.28Å; H384-A386 WeakPolarHBondContact ND1-CB 3.32Å; H384-A386 PolarHBondContact ND1-N 2.82Å; H384-A386 PolarHBondContact O-N 2.96Å
387	V	78.7	Confident	82	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-16	-168.7	-58.5	0	0	0	0	115.4	F20 V374 I378 D382 H384 E385 D389 L390	F20-V387 HydrophobicContact CD2-CG1 4.33Å; F20-V387 HydrophobicContact CE1-CG1 4.43Å; F20-V387 HydrophobicContact CE2-CG1 3.71Å; F20-V387 HydrophobicContact CZ-CG1 3.76Å; V374-V387 HydrophobicContact CG1-CG1 3.9Å; I378-V387 HydrophobicContact CG1-CB 4.05Å; D382-V387 HydrophobicContact CB-CG2 4.3Å; H384-V387 HydrophobicContact CB-CG2 4.37Å; H384-V387 WeakPolarHBondContact O-CG2 3.41Å; H384-V387 PolarHBondContact O-N 2.77Å; E385-V387 VanDerWaalsContact C-N 3.27Å; E385-V387 PolarHBondContact O-N 3.28Å; V387-D389 VanDerWaalsContact C-N 3.31Å; V387-D389 PolarHBondContact O-N 3.26Å; V387-L390 HydrophobicContact CB-CD1 4.14Å; V387-L390 HydrophobicContact CG1-CD1 4.26Å; V387-L390 PolarHBondContact O-N 3.09Å
388	Q	72.3	Confident	81.5	Confident	111 Å²	111	55 Å²	55	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.9	-173.5	-80.8	-173.1	-4.1	0	0	114.4	K383 H384	K383-Q388 VanDerWaalsContact C-NE2 3.31Å; K383-Q388 PolarHBondContact O-NE2 2.69Å; H384-Q388 PolarHBondContact O-N 3.34Å
389	D	76.3	Confident	81.4	Confident	104 Å²	104	53.1 Å²	53.1	56%	0.556	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	13.5	-172.9	-50.6	-49.6	0	0	0	113.7	K187 V387 L391	K187-D389 IonicContact NZ-OD2 3.03Å; V387-D389 VanDerWaalsContact C-N 3.31Å; V387-D389 PolarHBondContact O-N 3.26Å; D389-L391 PolarHBondContact O-N 3.01Å
390	L	83	Confident	81.5	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.12	27%	0.269	C	S	.	.			trans	-84.5	115.1	-176.5	-65.1	173	0	0	0	111.2	L184 G214 F216 V374 I378 V387	L184-L390 HydrophobicContact CD2-CD1 3.9Å; G214-L390 WeakPolarHBondContact O-CA 3.45Å; F216-L390 HydrophobicContact CD2-CD2 4.31Å; F216-L390 HydrophobicContact CE2-CD2 3.42Å; F216-L390 VanDerWaalsContact CE2-CD2 3.42Å; F216-L390 HydrophobicContact CZ-CD2 4.15Å; V374-L390 HydrophobicContact CG1-CD1 3.57Å; I378-L390 HydrophobicContact CD1-CB 3.69Å; I378-L390 HydrophobicContact CD1-CD1 3.89Å; I378-L390 HydrophobicContact CD1-CG 4.43Å; V387-L390 HydrophobicContact CB-CD1 4.14Å; V387-L390 HydrophobicContact CG1-CD1 4.26Å; V387-L390 PolarHBondContact O-N 3.09Å
391	L	84.6	Confident	81.8	Confident	90 Å²	90	49.8 Å²	49.8	47%	0.471	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	173.6	-178.9	66.1	0	0	0	110.2	G214 I215 F216 D389 L393	G214-L391 PolarHBondContact O-N 3.06Å; I215-L391 WeakPolarHBondContact CA-O 3.29Å; I215-L391 HydrophobicContact CG1-CB 4.35Å; I215-L391 HydrophobicContact CG1-CD2 4.46Å; I215-L391 HydrophobicContact CG2-CD2 4.4Å; F216-L391 PolarHBondContact N-O 2.97Å; D389-L391 PolarHBondContact O-N 3.01Å; L391-L393 HydrophobicContact CG-CG 4.48Å
392	L	84.9	Confident	82.3	Confident	33 Å²	33	48 Å²	48	17%	0.173	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.8	178.6	-167.6	79.5	0	0	0	110.7	I172 T176 I180 F216	I172-L392 HydrophobicContact CD1-CD2 4.01Å; I172-L392 HydrophobicContact CG1-CD2 4.32Å; T176-L392 HydrophobicContact CG2-CD1 3.14Å; T176-L392 HydrophobicContact CG2-CD2 3.73Å; T176-L392 HydrophobicContact CG2-CG 3.8Å; I180-L392 HydrophobicContact CD1-CD1 4.08Å; I180-L392 HydrophobicContact CG1-CD1 4.31Å; F216-L392 HydrophobicContact CB-CD1 3.9Å
393	L	85.5	Confident	82.8	Confident	51 Å²	51	48 Å²	48	27%	0.267	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.9	172.8	-63.4	174.4	0	0	0	108.8	I215 F216 E217 V218 L391 T418	I215-L393 HydrophobicContact CG2-CD1 4.41Å; F216-L393 PolarHBondContact O-N 3.19Å; E217-L393 HydrophobicContact CB-CB 4.39Å; E217-L393 HydrophobicContact CG-CB 4.08Å; E217-L393 HydrophobicContact CG-CD1 4.3Å; V218-L393 PolarHBondContact N-O 3.03Å; L391-L393 HydrophobicContact CG-CG 4.48Å; L393-T418 HydrophobicContact CB-CG2 4Å; L393-T418 HydrophobicContact CD2-CG2 4.34Å
394	D	86.1	Confident	83.3	Confident	15 Å²	15	41.7 Å²	41.7	8%	0.08	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	175	180	-144.7	-41	0	0	0	111.1	N173 T176 V218 T418 I419	N173-D394 PolarHBondContact ND2-OD1 3.31Å; N173-D394 PolarHBondContact ND2-OD2 2.89Å; T176-D394 PolarHBondContact OG1-OD2 2.9Å; T176-D394 VanDerWaalsContact OG1-OD2 3.04Å; V218-D394 HydrophobicContact CG2-CB 4.48Å; D394-T418 CarbonylContact O-C 3.54Å; D394-T418 VanDerWaalsContact O-CA 3.24Å; D394-T418 WeakPolarHBondContact O-CA 3.3Å; D394-I419 HydrophobicContact CB-CD1 4.27Å; D394-I419 HydrophobicContact CB-CG1 4.01Å; D394-I419 PolarHBondContact O-N 2.75Å
395	V	85.3	Confident	83.4	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.1	-178.1	-62.7	0	0	0	0	113.9	V218 T221 T417	V218-V395 HydrophobicContact CB-CG1 4.35Å; V218-V395 HydrophobicContact CB-CG2 4.13Å; V218-V395 HydrophobicContact CG1-CG2 3.65Å; V218-V395 WeakPolarHBondContact O-CG1 3.45Å; T221-V395 HydrophobicContact CG2-CG2 4.43Å; V395-T417 CarbonylContact C-O 3.5Å; V395-T417 VanDerWaalsContact CA-O 3.25Å; V395-T417 WeakPolarHBondContact CA-O 3.41Å
396	T	83	Confident	83.5	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.037	22%	0.218	C	C	.	.			trans	-71	136.6	171.8	56.2	0	0	0	0	112.3	I413 K414 N416 T417 I419 I479	T396-I413 HydrophobicContact CG2-CG2 4.05Å; T396-K414 PolarHBondContact OG1-O 3.35Å; T396-N416 VanDerWaalsContact O-CA 3.29Å; T396-N416 WeakPolarHBondContact O-CA 3.47Å; T396-N416 PolarHBondContact O-N 3.13Å; T396-N416 PolarHBondContact OG1-N 2.83Å; T396-T417 PolarHBondContact N-O 3.4Å; T396-T417 PolarHBondContact OG1-N 3.48Å; T396-T417 VanDerWaalsContact OG1-N 3.09Å; T396-I419 HydrophobicContact CG2-CG2 3.75Å; T396-I479 HydrophobicContact CG2-CD1 3.44Å; T396-I479 VanDerWaalsContact CG2-CD1 3.44Å
397	P	74.5	Confident	84	Confident	23 Å²	23	35.7 Å²	35.7	15%	0.149	22%	0.215	C	C	.	.	S	Bend	trans	-78	-34.1	178.6	28.1	-33.5	0	0	0	113.6	Y148 T221 R415	Y148-P397 HydrophobicContact CD2-CB 4.02Å; Y148-P397 HydrophobicContact CE2-CB 4.36Å; T221-P397 HydrophobicContact CG2-CB 3.88Å; P397-R415 PolarHBondContact O-NE 3.42Å
398	L	80.7	Confident	84.3	Confident	20 Å²	20	38.5 Å²	38.5	11%	0.105	23%	0.232	C	C	.	.	S	Bend	trans	-129.1	157.6	-177.2	-69.2	172.2	0	0	0	110.8	Y148 E443 E445	Y148-L398 HydrophobicContact CE2-CD2 4.46Å; Y148-L398 HydrophobicContact CE2-CG 4.47Å; L398-E443 HydrophobicContact CB-CB 4.45Å; L398-E443 HydrophobicContact CD1-CG 4.45Å; L398-E445 HydrophobicContact CD2-CG 4.16Å
399	S	86.5	Confident	85.1	Confident	8 Å²	8	34.2 Å²	34.2	6%	0.056	21%	0.213	C	C	.	.			trans	-72	138.6	173.8	-56.4	0	0	0	0	110.2	I413 R415 E443 G444 E445	S399-I413 CarbonylContact C-O 3.59Å; S399-I413 VanDerWaalsContact CA-O 3.25Å; S399-I413 WeakPolarHBondContact CA-O 3.19Å; S399-R415 PolarHBondContact OG-N 3.02Å; S399-E443 VanDerWaalsContact O-CA 3.31Å; S399-E443 WeakPolarHBondContact O-CA 3.29Å; S399-G444 PolarHBondContact O-N 3.31Å; S399-E445 WeakPolarHBondContact CB-OE1 3.24Å; S399-E445 PolarHBondContact N-OE1 3.46Å; S399-E445 PolarHBondContact OG-OE1 2.86Å; S399-E445 PolarHBondContact OG-OE2 2.67Å
400	L	90.6	Very high	85.9	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.063	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.4	179.6	-56.1	173.1	0	0	0	109.1	L412 I413 Y442 E443 L455 F477 I479 L485	L400-L412 PolarHBondContact O-N 2.92Å; L400-I413 HydrophobicContact CB-CB 4.32Å; L400-I413 PolarHBondContact N-O 2.89Å; L400-I413 PolarHBondContact O-N 3.29Å; L400-Y442 WeakPolarHBondContact CA-O 3.43Å; L400-E443 HydrophobicContact CD2-CB 3.62Å; L400-L455 HydrophobicContact CD2-CD1 3.88Å; L400-F477 HydrophobicContact CB-CD1 3.88Å; L400-F477 HydrophobicContact CB-CE1 3.82Å; L400-I479 HydrophobicContact CD1-CD1 3.42Å; L400-I479 VanDerWaalsContact CD1-CD1 3.42Å; L400-I479 HydrophobicContact CD1-CG1 4.19Å; L400-L485 HydrophobicContact CB-CD2 4.45Å; L400-L485 HydrophobicContact CD1-CD1 4.27Å; L400-L485 HydrophobicContact CD1-CD2 3.93Å; L400-L485 HydrophobicContact CD1-CG 4.48Å; L400-L485 HydrophobicContact CD2-CD2 4.39Å; L400-L485 HydrophobicContact CG-CD2 4.49Å
401	G	92.4	Very high	86.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	-174.8	-172.1	0	0	0	0	0	113.8	M409 T410 V441 Y442	G401-M409 VanDerWaalsContact N-CE 3.28Å; G401-T410 CarbonylContact C-O 3.54Å; G401-T410 WeakPolarHBondContact CA-O 3.46Å; G401-V441 WeakPolarHBondContact O-CA 3.18Å; G401-Y442 PolarHBondContact N-O 3.32Å; G401-Y442 PolarHBondContact O-N 3Å
402	I	94	Very high	86.7	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158.9	179.8	66.4	175.6	0	0	0	112.2	T404 T410 L412 F427 I439 Q440 V441 V475 F477	I402-T404 HydrophobicContact CG1-CG2 4.4Å; I402-T410 PolarHBondContact N-O 2.69Å; I402-T410 PolarHBondContact O-N 3.24Å; I402-L412 HydrophobicContact CG1-CD1 4.11Å; I402-F427 HydrophobicContact CD1-CD1 4.1Å; I402-F427 HydrophobicContact CD1-CD2 3.76Å; I402-F427 HydrophobicContact CD1-CE1 3.85Å; I402-F427 HydrophobicContact CD1-CE2 3.48Å; I402-F427 VanDerWaalsContact CD1-CE2 3.48Å; I402-F427 HydrophobicContact CD1-CG 4.06Å; I402-F427 HydrophobicContact CD1-CZ 3.54Å; I402-F427 HydrophobicContact CG1-CE1 4.3Å; I402-F427 HydrophobicContact CG1-CE2 4.35Å; I402-F427 HydrophobicContact CG1-CZ 3.99Å; I402-I439 HydrophobicContact CG2-CG2 3.98Å; I402-Q440 WeakPolarHBondContact CA-O 3.32Å; I402-Q440 WeakPolarHBondContact CB-O 3.2Å; I402-V441 HydrophobicContact CG2-CG2 4.48Å; I402-V475 HydrophobicContact CD1-CG1 4.45Å; I402-V475 HydrophobicContact CD1-CG2 4.2Å; I402-V475 HydrophobicContact CG2-CG1 4.29Å; I402-F477 HydrophobicContact CG2-CE2 3.59Å; I402-F477 HydrophobicContact CG2-CZ 3.54Å
403	E	91.5	Very high	87	Confident	61 Å²	61	26.8 Å²	26.8	29%	0.285	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.9	167.3	-168.3	168.3	108.2	0	0	111.3	Q440 Y442 T449	E403-Q440 HydrophobicContact CB-CB 4.22Å; E403-Q440 VanDerWaalsContact CD-NE2 3.28Å; E403-Q440 PolarHBondContact N-O 3.45Å; E403-Q440 VanDerWaalsContact N-O 3.1Å; E403-Q440 PolarHBondContact OE1-NE2 3.23Å; E403-Y442 HydrophobicContact CB-CD2 4.44Å; E403-Y442 HydrophobicContact CB-CE2 3.82Å; E403-Y442 PolarHBondContact OE2-OH 2.91Å; E403-T449 HydrophobicContact CB-CG2 3.8Å; E403-T449 HydrophobicContact CG-CG2 3.86Å; E403-T449 WeakPolarHBondContact OE2-CB 3.4Å; E403-T449 PolarHBondContact OE2-OG1 3.17Å
404	T	88.5	Confident	87.2	Confident	40 Å²	40	31.6 Å²	31.6	25%	0.245	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-179.9	167.9	58.2	0	0	0	0	110.8	I402 G406 G407 V408 T410 F427	I402-T404 HydrophobicContact CG1-CG2 4.4Å; T404-G406 PolarHBondContact O-N 3.14Å; T404-G407 PolarHBondContact O-N 3.14Å; T404-G407 VanDerWaalsContact O-N 3.15Å; T404-V408 PolarHBondContact N-O 2.77Å; T404-V408 PolarHBondContact OG1-O 3.38Å; T404-T410 HydrophobicContact CG2-CG2 4.43Å; T404-T410 WeakPolarHBondContact CG2-OG1 3.43Å; T404-T410 PolarHBondContact OG1-OG1 3.3Å; T404-F427 HydrophobicContact CG2-CD1 4.03Å; T404-F427 HydrophobicContact CG2-CE1 3.74Å
405	A	80.5	Confident	87.2	Confident	60 Å²	60	32.7 Å²	32.7	50%	0.496	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.9	-176.2	0	0	0	0	0	112.8	Y430	A405-Y430 HydrophobicContact CB-CD2 3.54Å; A405-Y430 HydrophobicContact CB-CE2 3.47Å; A405-Y430 VanDerWaalsContact CB-CE2 3.47Å
406	G	81.3	Confident	87.1	Confident	64 Å²	64	34 Å²	34	66%	0.66	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	8	-179	0	0	0	0	0	115.3	T404 M448	T404-G406 PolarHBondContact O-N 3.14Å; G406-M448 WeakPolarHBondContact O-CE 3.33Å
407	G	83.5	Confident	87.4	Confident	17 Å²	17	35.6 Å²	35.6	18%	0.175	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	24.8	-179.2	0	0	0	0	0	113	T404 M448 T449	T404-G407 PolarHBondContact O-N 3.14Å; T404-G407 VanDerWaalsContact O-N 3.15Å; G407-M448 WeakPolarHBondContact O-CA 3.49Å; G407-M448 WeakPolarHBondContact O-CE 3.17Å; G407-T449 PolarHBondContact O-N 2.94Å; G407-T449 PolarHBondContact O-OG1 3.5Å
408	V	86	Confident	88.1	Confident	61 Å²	61	37.1 Å²	37.1	37%	0.37	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.2	-178.9	179.7	0	0	0	0	109.4	T404 M448	T404-V408 PolarHBondContact N-O 2.77Å; T404-V408 PolarHBondContact OG1-O 3.38Å; V408-M448 HydrophobicContact CG2-SD 4.35Å
409	M	89.1	Confident	88.3	Confident	21 Å²	21	36.9 Å²	36.9	10%	0.103	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.9	173.8	177.8	58.1	168.9	0	0	110.1	G401 Y442 R446 A447 T449 N452	G401-M409 VanDerWaalsContact N-CE 3.28Å; M409-Y442 WeakPolarHBondContact CE-O 3.44Å; M409-R446 WeakPolarHBondContact CB-O 3.39Å; M409-A447 PolarHBondContact N-O 2.89Å; M409-T449 HydrophobicContact CB-CG2 4.01Å; M409-T449 HydrophobicContact SD-CG2 4.31Å; M409-N452 WeakPolarHBondContact CG-ND2 3.41Å
410	T	92.8	Very high	88.4	Confident	34 Å²	34	40.8 Å²	40.8	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105.8	171.8	-56.6	0	0	0	0	109.3	G401 I402 T404 L412 F427	G401-T410 CarbonylContact C-O 3.54Å; G401-T410 WeakPolarHBondContact CA-O 3.46Å; I402-T410 PolarHBondContact N-O 2.69Å; I402-T410 PolarHBondContact O-N 3.24Å; T404-T410 HydrophobicContact CG2-CG2 4.43Å; T404-T410 WeakPolarHBondContact CG2-OG1 3.43Å; T404-T410 PolarHBondContact OG1-OG1 3.3Å; T410-L412 WeakPolarHBondContact O-CD1 3.31Å; T410-F427 HydrophobicContact CG2-CE1 4.11Å; T410-F427 HydrophobicContact CG2-CZ 4.22Å
411	A	90.8	Very high	88.5	Confident	42 Å²	42	41.7 Å²	41.7	35%	0.347	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.7	179.2	0	0	0	0	0	111.1
412	L	93.4	Very high	88.6	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.084	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-41.4	172.6	-78.3	77.1	0	0	0	110.4	L400 I402 T410 Q425 F427 V475 F477	L400-L412 PolarHBondContact O-N 2.92Å; I402-L412 HydrophobicContact CG1-CD1 4.11Å; T410-L412 WeakPolarHBondContact O-CD1 3.31Å; L412-Q425 HydrophobicContact CD2-CB 4.09Å; L412-Q425 HydrophobicContact CG-CB 4.32Å; L412-F427 HydrophobicContact CD1-CE2 4.3Å; L412-F427 HydrophobicContact CD1-CZ 3.98Å; L412-F427 HydrophobicContact CD2-CE2 4.31Å; L412-V475 HydrophobicContact CD2-CG1 4.26Å; L412-F477 HydrophobicContact CB-CD2 4.43Å; L412-F477 HydrophobicContact CB-CG 4.38Å; L412-F477 HydrophobicContact CD1-CE2 4.35Å; L412-F477 HydrophobicContact CD2-CD2 3.64Å; L412-F477 HydrophobicContact CD2-CE2 3.92Å; L412-F477 HydrophobicContact CD2-CG 4.32Å; L412-F477 HydrophobicContact CG-CD2 4.49Å
413	I	91.8	Very high	88.7	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.8	175.1	-62.5	175.7	0	0	0	107	T396 S399 L400 T417 T421 V423 F477 I479	T396-I413 HydrophobicContact CG2-CG2 4.05Å; S399-I413 CarbonylContact C-O 3.59Å; S399-I413 VanDerWaalsContact CA-O 3.25Å; S399-I413 WeakPolarHBondContact CA-O 3.19Å; L400-I413 HydrophobicContact CB-CB 4.32Å; L400-I413 PolarHBondContact N-O 2.89Å; L400-I413 PolarHBondContact O-N 3.29Å; I413-T417 HydrophobicContact CG2-CG2 4.07Å; I413-T421 HydrophobicContact CD1-CG2 3.93Å; I413-T421 HydrophobicContact CG2-CG2 4.42Å; I413-V423 HydrophobicContact CD1-CG2 4.44Å; I413-V423 HydrophobicContact CG1-CB 4.06Å; I413-V423 HydrophobicContact CG1-CG2 3.83Å; I413-F477 HydrophobicContact CD1-CB 3.55Å; I413-F477 HydrophobicContact CD1-CD1 4.41Å; I413-F477 HydrophobicContact CD1-CG 4.46Å; I413-F477 HydrophobicContact CG1-CB 4.14Å; I413-I479 HydrophobicContact CD1-CD1 3.52Å; I413-I479 HydrophobicContact CD1-CG1 3.78Å; I413-I479 HydrophobicContact CG2-CD1 4.09Å
414	K	89.9	Confident	88.9	Confident	153 Å²	153	49.6 Å²	49.6	67%	0.665	30%	0.302	S	S	*	.			trans	-77.1	155.9	177.3	-65.1	-179.1	-179	177.6	0	109.7	T396 T417	T396-K414 PolarHBondContact OG1-O 3.35Å; K414-T417 WeakPolarHBondContact O-CB 3.41Å; K414-T417 PolarHBondContact O-N 3.38Å; K414-T417 PolarHBondContact O-OG1 2.97Å
415	R	85.9	Confident	89.2	Confident	38 Å²	38	51.6 Å²	51.6	14%	0.143	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	152.7	168.4	67.3	-175.9	-59.8	-124.6	-12.1	111.8	T221 D322 P397 S399 T417 E445	T221-R415 PolarHBondContact O-NH2 2.93Å; D322-R415 VanDerWaalsContact CG-NH1 3.31Å; D322-R415 IonicContact OD1-NH1 3.96Å; D322-R415 PolarHBondContact OD1-NH1 3.44Å; D322-R415 IonicContact OD2-CZ 2.86Å; D322-R415 IonicContact OD2-NH1 3.92Å; D322-R415 PolarHBondContact OD2-NH1 2.92Å; D322-R415 IonicContact OD2-NH2 2.95Å; D322-R415 PolarHBondContact OD2-NH2 3.22Å; P397-R415 PolarHBondContact O-NE 3.42Å; S399-R415 PolarHBondContact OG-N 3.02Å; R415-T417 PolarHBondContact O-N 3.16Å; R415-E445 WeakPolarHBondContact CD-OE1 3.45Å
416	N	83.3	Confident	89.8	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.16	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	24.5	-173.8	-49.2	-57.1	0	0	0	113.7	S220 T221 T396	S220-N416 WeakPolarHBondContact CA-OD1 3.29Å; T221-N416 PolarHBondContact N-OD1 3.25Å; T396-N416 VanDerWaalsContact O-CA 3.29Å; T396-N416 WeakPolarHBondContact O-CA 3.47Å; T396-N416 PolarHBondContact O-N 3.13Å; T396-N416 PolarHBondContact OG1-N 2.83Å
417	T	88.6	Confident	90.4	Very high	40 Å²	40	50.1 Å²	50.1	25%	0.245	28%	0.278	C	S	.	.			trans	-77.8	129.4	171.4	-61.3	0	0	0	0	108.9	V395 T396 I413 K414 R415 T421	V395-T417 CarbonylContact C-O 3.5Å; V395-T417 VanDerWaalsContact CA-O 3.25Å; V395-T417 WeakPolarHBondContact CA-O 3.41Å; T396-T417 PolarHBondContact N-O 3.4Å; T396-T417 PolarHBondContact OG1-N 3.48Å; T396-T417 VanDerWaalsContact OG1-N 3.09Å; I413-T417 HydrophobicContact CG2-CG2 4.07Å; K414-T417 WeakPolarHBondContact O-CB 3.41Å; K414-T417 PolarHBondContact O-N 3.38Å; K414-T417 PolarHBondContact O-OG1 2.97Å; R415-T417 PolarHBondContact O-N 3.16Å; T417-T421 HydrophobicContact CG2-CG2 3.94Å
418	T	89.4	Confident	90.7	Very high	55 Å²	55	52.9 Å²	52.9	34%	0.337	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.9	177.2	-47.3	0	0	0	0	111.9	L393 D394 T421	L393-T418 HydrophobicContact CB-CG2 4Å; L393-T418 HydrophobicContact CD2-CG2 4.34Å; D394-T418 CarbonylContact O-C 3.54Å; D394-T418 VanDerWaalsContact O-CA 3.24Å; D394-T418 WeakPolarHBondContact O-CA 3.3Å; T418-T421 VanDerWaalsContact O-CB 3.29Å; T418-T421 WeakPolarHBondContact O-CB 3.42Å
419	I	85.6	Confident	90.8	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.6	177.5	61.1	168.3	0	0	0	111.7	D394 T396 T421 I479	D394-I419 HydrophobicContact CB-CD1 4.27Å; D394-I419 HydrophobicContact CB-CG1 4.01Å; D394-I419 PolarHBondContact O-N 2.75Å; T396-I419 HydrophobicContact CG2-CG2 3.75Å; I419-T421 HydrophobicContact CG2-CG2 4.25Å; I419-I479 HydrophobicContact CB-CG2 4.39Å; I419-I479 HydrophobicContact CG2-CB 4.16Å; I419-I479 HydrophobicContact CG2-CD1 4.31Å; I419-I479 HydrophobicContact CG2-CG2 3.8Å
420	P	88.4	Confident	90.5	Very high	90 Å²	90	56.9 Å²	56.9	58%	0.584	30%	0.3	S	S	*	.	S	Bend	cis	-70.5	147.6	2.5	30.6	-35.9	0	0	0	113.1	I479	P420-I479 VanDerWaalsContact CA-O 3.24Å; P420-I479 WeakPolarHBondContact CA-O 3.43Å; P420-I479 WeakPolarHBondContact CB-O 3.31Å
421	T	92.5	Very high	90.3	Very high	31 Å²	31	58 Å²	58	19%	0.19	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.2	-179.6	-165.8	0	0	0	0	112.5	I413 T417 T418 I419 I479	I413-T421 HydrophobicContact CD1-CG2 3.93Å; I413-T421 HydrophobicContact CG2-CG2 4.42Å; T417-T421 HydrophobicContact CG2-CG2 3.94Å; T418-T421 VanDerWaalsContact O-CB 3.29Å; T418-T421 WeakPolarHBondContact O-CB 3.42Å; I419-T421 HydrophobicContact CG2-CG2 4.25Å; T421-I479 HydrophobicContact CG2-CB 4.37Å; T421-I479 HydrophobicContact CG2-CD1 4.17Å; T421-I479 HydrophobicContact CG2-CG1 4.44Å; T421-I479 PolarHBondContact N-O 3.1Å; T421-I479 PolarHBondContact O-N 3.03Å
422	K	94.7	Very high	90.2	Very high	129 Å²	129	60.6 Å²	60.6	56%	0.561	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	123.2	179.6	-172.9	171.2	-171.6	155.2	0	110.8	T476 F477 D478	K422-T476 HydrophobicContact CD-CG2 4.29Å; K422-T476 VanDerWaalsContact CE-CG2 3.44Å; K422-T476 HydrophobicContact CG-CG2 3.84Å; K422-F477 CarbonylContact C-O 3.53Å; K422-F477 VanDerWaalsContact CA-O 3.3Å; K422-F477 WeakPolarHBondContact CA-O 3.22Å; K422-D478 HydrophobicContact CD-CB 4.38Å; K422-D478 WeakPolarHBondContact CE-OD2 3.46Å; K422-D478 HydrophobicContact CG-CB 4.16Å; K422-D478 IonicContact NZ-OD2 2.74Å; K422-D478 PolarHBondContact NZ-OD2 3.12Å; K422-D478 VanDerWaalsContact NZ-OD2 3.11Å
423	V	94.9	Very high	90	Very high	46 Å²	46	64.5 Å²	64.5	28%	0.279	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	-178.7	-177.7	0	0	0	0	109.6	I413 T476 F477	I413-V423 HydrophobicContact CD1-CG2 4.44Å; I413-V423 HydrophobicContact CG1-CB 4.06Å; I413-V423 HydrophobicContact CG1-CG2 3.83Å; V423-T476 CarbonylContact O-C 3.56Å; V423-T476 WeakPolarHBondContact O-CA 3.43Å; V423-F477 PolarHBondContact N-O 3.32Å; V423-F477 PolarHBondContact O-N 3.45Å
424	S	95.4	Very high	89.8	Confident	58 Å²	58	66.4 Å²	66.4	41%	0.406	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.3	176.4	-57.1	0	0	0	0	110.4	V475 T476	S424-V475 CarbonylContact C-O 3.52Å; S424-V475 VanDerWaalsContact CA-O 3.32Å; S424-V475 WeakPolarHBondContact CA-O 3.09Å; S424-T476 WeakPolarHBondContact CB-OG1 3.46Å; S424-T476 WeakPolarHBondContact OG-CB 3.22Å; S424-T476 VanDerWaalsContact OG-CG2 3.25Å; S424-T476 WeakPolarHBondContact OG-CG2 3.3Å; S424-T476 PolarHBondContact OG-OG1 2.84Å
425	Q	94.9	Very high	89.7	Confident	81 Å²	81	63.7 Å²	63.7	38%	0.379	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.3	175.7	-174.4	171.9	-12.1	0	0	110.3	L412 F427 V475	L412-Q425 HydrophobicContact CD2-CB 4.09Å; L412-Q425 HydrophobicContact CG-CB 4.32Å; Q425-F427 HydrophobicContact CB-CE2 3.83Å; Q425-F427 HydrophobicContact CB-CZ 4.24Å; Q425-F427 HydrophobicContact CG-CE2 3.92Å; Q425-F427 HydrophobicContact CG-CZ 3.96Å; Q425-F427 WeakPolarHBondContact O-CD2 3.37Å; Q425-V475 PolarHBondContact N-O 3.33Å; Q425-V475 PolarHBondContact O-N 3Å
426	V	93.7	Very high	89.9	Confident	58 Å²	58	62.2 Å²	62.2	35%	0.352	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.1	179.4	-178.5	0	0	0	0	110	Q472 E474	V426-Q472 HydrophobicContact CG1-CB 3.8Å; V426-Q472 HydrophobicContact CG1-CG 4.16Å; V426-E474 HydrophobicContact CG2-CB 4.41Å; V426-E474 HydrophobicContact CG2-CG 4.47Å
427	F	93.5	Very high	90.3	Very high	35 Å²	35	61.4 Å²	61.4	15%	0.154	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	170.3	172.4	-63.4	-87.8	0	0	0	109.8	I402 T404 T410 L412 Q425 I473 V475	I402-F427 HydrophobicContact CD1-CD1 4.1Å; I402-F427 HydrophobicContact CD1-CD2 3.76Å; I402-F427 HydrophobicContact CD1-CE1 3.85Å; I402-F427 HydrophobicContact CD1-CE2 3.48Å; I402-F427 VanDerWaalsContact CD1-CE2 3.48Å; I402-F427 HydrophobicContact CD1-CG 4.06Å; I402-F427 HydrophobicContact CD1-CZ 3.54Å; I402-F427 HydrophobicContact CG1-CE1 4.3Å; I402-F427 HydrophobicContact CG1-CE2 4.35Å; I402-F427 HydrophobicContact CG1-CZ 3.99Å; T404-F427 HydrophobicContact CG2-CD1 4.03Å; T404-F427 HydrophobicContact CG2-CE1 3.74Å; T410-F427 HydrophobicContact CG2-CE1 4.11Å; T410-F427 HydrophobicContact CG2-CZ 4.22Å; L412-F427 HydrophobicContact CD1-CE2 4.3Å; L412-F427 HydrophobicContact CD1-CZ 3.98Å; L412-F427 HydrophobicContact CD2-CE2 4.31Å; Q425-F427 HydrophobicContact CB-CE2 3.83Å; Q425-F427 HydrophobicContact CB-CZ 4.24Å; Q425-F427 HydrophobicContact CG-CE2 3.92Å; Q425-F427 HydrophobicContact CG-CZ 3.96Å; Q425-F427 WeakPolarHBondContact O-CD2 3.37Å; F427-I473 PolarHBondContact N-O 3.17Å; F427-I473 PolarHBondContact O-N 2.97Å; F427-V475 HydrophobicContact CD2-CB 3.94Å; F427-V475 HydrophobicContact CD2-CG2 3.74Å; F427-V475 HydrophobicContact CE2-CB 4Å; F427-V475 HydrophobicContact CE2-CG2 4.23Å
428	T	89.9	Confident	90.4	Very high	76 Å²	76	63.7 Å²	63.7	47%	0.466	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164.1	178.7	59.6	0	0	0	0	111.3	G469 P471	T428-G469 WeakPolarHBondContact CG2-O 3.4Å; T428-P471 VanDerWaalsContact CA-O 3.28Å; T428-P471 WeakPolarHBondContact CA-O 3.45Å; T428-P471 WeakPolarHBondContact CB-O 3.25Å
429	T	87.9	Confident	90.5	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.031	34%	0.335	C	S	.	.			trans	-65.6	145.4	176.2	50.2	0	0	0	0	111.6	Q434 V437 I463 G469 P471	T429-Q434 HydrophobicContact CG2-CB 4.06Å; T429-Q434 HydrophobicContact CG2-CG 4.26Å; T429-V437 HydrophobicContact CG2-CG1 3.96Å; T429-I463 HydrophobicContact CG2-CD1 4.21Å; T429-G469 PolarHBondContact O-N 3.19Å; T429-P471 HydrophobicContact CG2-CB 3.87Å; T429-P471 HydrophobicContact CG2-CG 3.87Å; T429-P471 WeakPolarHBondContact OG1-CD 3.42Å
430	Y	84.2	Confident	90.8	Very high	160 Å²	160	62.3 Å²	62.3	63%	0.627	34%	0.338	S	S	*	.	S	Bend	trans	-83.7	-35	-178.4	178.4	-112	0	0	0	112.3	A405	A405-Y430 HydrophobicContact CB-CD2 3.54Å; A405-Y430 HydrophobicContact CB-CE2 3.47Å; A405-Y430 VanDerWaalsContact CB-CE2 3.47Å
431	S	86.9	Confident	90.9	Very high	58 Å²	58	58 Å²	58	41%	0.406	31%	0.31	S	S	.	.	S	Bend	trans	-118.6	152.4	-177	-60.9	0	0	0	0	112.3	Q434	S431-Q434 VanDerWaalsContact O-CB 3.25Å; S431-Q434 WeakPolarHBondContact O-CB 3.11Å; S431-Q434 PolarHBondContact O-N 2.86Å
432	D	89	Confident	90.6	Very high	96 Å²	96	57.4 Å²	57.4	51%	0.513	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	139.5	174.4	-64	-29.4	0	0	0	110.5	Q434 R468	D432-Q434 PolarHBondContact O-N 3.26Å; D432-Q434 VanDerWaalsContact O-N 3.09Å; D432-R468 WeakPolarHBondContact OD1-CB 3.47Å; D432-R468 WeakPolarHBondContact OD1-CG 3.45Å; D432-R468 PolarHBondContact OD1-N 3.39Å
433	N	89.1	Confident	90.1	Very high	98 Å²	98	51.8 Å²	51.8	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	26.5	-179.9	-53.4	-51.5	0	0	0	114	P435 P465 A466	N433-P435 WeakPolarHBondContact O-CD 3.28Å; N433-P465 HydrophobicContact CB-CB 4.14Å; N433-P465 WeakPolarHBondContact OD1-CB 3.44Å; N433-A466 PolarHBondContact N-O 3.31Å; N433-A466 PolarHBondContact OD1-N 3.37Å
434	Q	87.6	Confident	89.4	Confident	42 Å²	42	50 Å²	50	20%	0.196	27%	0.272	C	S	.	.			trans	-60.5	115.8	178.3	176.3	171.9	-4.7	0	0	110.1	T429 S431 D432 G436	T429-Q434 HydrophobicContact CG2-CB 4.06Å; T429-Q434 HydrophobicContact CG2-CG 4.26Å; S431-Q434 VanDerWaalsContact O-CB 3.25Å; S431-Q434 WeakPolarHBondContact O-CB 3.11Å; S431-Q434 PolarHBondContact O-N 2.86Å; D432-Q434 PolarHBondContact O-N 3.26Å; D432-Q434 VanDerWaalsContact O-N 3.09Å; Q434-G436 VanDerWaalsContact C-N 3.27Å; Q434-G436 WeakPolarHBondContact CG-O 3.48Å; Q434-G436 PolarHBondContact NE2-O 3.02Å; Q434-G436 PolarHBondContact O-N 3.37Å
435	P	89.3	Confident	88.7	Confident	95 Å²	95	52 Å²	52	62%	0.617	27%	0.274	S	S	*	.			trans	-76	-14.7	-171	30.5	-36.5	0	0	0	113.6	N433 G462 I463	N433-P435 WeakPolarHBondContact O-CD 3.28Å; P435-G462 PolarHBondContact O-N 2.92Å; P435-I463 PolarHBondContact O-N 2.81Å
436	G	89.5	Confident	88	Confident	7 Å²	7	56.2 Å²	56.2	7%	0.072	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	159.5	-179.2	0	0	0	0	0	112.2	Q434 L460	Q434-G436 VanDerWaalsContact C-N 3.27Å; Q434-G436 WeakPolarHBondContact CG-O 3.48Å; Q434-G436 PolarHBondContact NE2-O 3.02Å; Q434-G436 PolarHBondContact O-N 3.37Å; G436-L460 CarbonylContact C-O 3.59Å; G436-L460 WeakPolarHBondContact CA-O 3.48Å
437	V	90.5	Very high	87.4	Confident	13 Å²	13	57 Å²	57	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.3	177.3	-66.5	0	0	0	0	110.4	T429 I439 E459 L460 I463 I473	T429-V437 HydrophobicContact CG2-CG1 3.96Å; V437-I439 HydrophobicContact CB-CD1 4.49Å; V437-I439 HydrophobicContact CG2-CD1 4.05Å; V437-E459 WeakPolarHBondContact O-CA 3.48Å; V437-L460 HydrophobicContact CG2-CB 3.79Å; V437-L460 HydrophobicContact CG2-CD2 4.19Å; V437-L460 HydrophobicContact CG2-CG 4.43Å; V437-L460 PolarHBondContact N-O 3.29Å; V437-L460 PolarHBondContact O-N 2.87Å; V437-I463 HydrophobicContact CB-CD1 4.4Å; V437-I463 HydrophobicContact CG1-CD1 3.78Å; V437-I463 HydrophobicContact CG2-CD1 4.09Å; V437-I473 HydrophobicContact CG1-CG1 4.34Å; V437-I473 HydrophobicContact CG2-CG1 4.22Å; V437-I473 HydrophobicContact CG2-CG2 4.1Å
438	L	91.1	Very high	86.8	Confident	88 Å²	88	58.6 Å²	58.6	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.1	172.6	-179.5	68.4	0	0	0	109	Q440 K457 E459	L438-Q440 HydrophobicContact CD2-CG 4.01Å; L438-Q440 HydrophobicContact CG-CG 3.94Å; L438-K457 HydrophobicContact CD1-CB 4.46Å; L438-K457 HydrophobicContact CD1-CD 4.44Å; L438-E459 HydrophobicContact CD1-CB 4.37Å
439	I	92.3	Very high	86.6	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.062	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	117.3	175.4	-52.6	-58.7	0	0	0	108	I402 V437 V441 K457 F458 V475 A489	I402-I439 HydrophobicContact CG2-CG2 3.98Å; V437-I439 HydrophobicContact CB-CD1 4.49Å; V437-I439 HydrophobicContact CG2-CD1 4.05Å; I439-V441 HydrophobicContact CG2-CG2 4.22Å; I439-K457 CarbonylContact O-C 3.43Å; I439-K457 WeakPolarHBondContact O-CA 3.45Å; I439-K457 VanDerWaalsContact O-CB 3.29Å; I439-K457 WeakPolarHBondContact O-CB 3.49Å; I439-F458 HydrophobicContact CB-CD1 4.02Å; I439-F458 HydrophobicContact CB-CE1 3.64Å; I439-F458 HydrophobicContact CB-CE2 4.25Å; I439-F458 HydrophobicContact CB-CG 4.49Å; I439-F458 HydrophobicContact CB-CZ 3.78Å; I439-F458 HydrophobicContact CG1-CE1 4.3Å; I439-F458 HydrophobicContact CG1-CE2 4.08Å; I439-F458 HydrophobicContact CG1-CZ 3.91Å; I439-F458 HydrophobicContact CG2-CD1 4.3Å; I439-F458 HydrophobicContact CG2-CE1 3.55Å; I439-F458 HydrophobicContact CG2-CZ 3.84Å; I439-F458 PolarHBondContact N-O 3.13Å; I439-F458 PolarHBondContact O-N 3.3Å; I439-V475 HydrophobicContact CD1-CG2 3.99Å; I439-A489 HydrophobicContact CD1-CB 4.33Å; I439-A489 HydrophobicContact CG1-CB 3.92Å
440	Q	91.7	Very high	86.1	Confident	31 Å²	31	62.8 Å²	62.8	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.7	175.6	-59.2	-175.1	96.3	0	0	108.4	I402 E403 L438 Y442 L454 K457	I402-Q440 WeakPolarHBondContact CA-O 3.32Å; I402-Q440 WeakPolarHBondContact CB-O 3.2Å; E403-Q440 HydrophobicContact CB-CB 4.22Å; E403-Q440 VanDerWaalsContact CD-NE2 3.28Å; E403-Q440 PolarHBondContact N-O 3.45Å; E403-Q440 VanDerWaalsContact N-O 3.1Å; E403-Q440 PolarHBondContact OE1-NE2 3.23Å; L438-Q440 HydrophobicContact CD2-CG 4.01Å; L438-Q440 HydrophobicContact CG-CG 3.94Å; Q440-Y442 HydrophobicContact CB-CD2 4.34Å; Q440-Y442 HydrophobicContact CB-CE2 3.53Å; Q440-Y442 WeakPolarHBondContact O-CD2 3.42Å; Q440-L454 HydrophobicContact CB-CD1 4.11Å; Q440-K457 HydrophobicContact CB-CB 4.34Å; Q440-K457 HydrophobicContact CG-CB 3.94Å; Q440-K457 HydrophobicContact CG-CD 4.31Å
441	V	90.7	Very high	85.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.8	-173	-179.1	0	0	0	0	109.2	G401 I402 I439 L454 L455 G456 F477 L485 V487 I502	G401-V441 WeakPolarHBondContact O-CA 3.18Å; I402-V441 HydrophobicContact CG2-CG2 4.48Å; I439-V441 HydrophobicContact CG2-CG2 4.22Å; V441-L454 WeakPolarHBondContact O-CD1 3.49Å; V441-L455 HydrophobicContact CG1-CB 4.36Å; V441-L455 HydrophobicContact CG1-CD1 4.49Å; V441-L455 PolarHBondContact O-N 3.39Å; V441-G456 PolarHBondContact N-O 2.84Å; V441-G456 PolarHBondContact O-N 3.04Å; V441-F477 HydrophobicContact CG1-CE1 3.89Å; V441-F477 HydrophobicContact CG1-CZ 3.82Å; V441-F477 HydrophobicContact CG2-CZ 4.29Å; V441-L485 HydrophobicContact CG1-CD2 3.89Å; V441-V487 HydrophobicContact CG1-CG2 4.06Å; V441-V487 HydrophobicContact CG2-CB 4.14Å; V441-V487 HydrophobicContact CG2-CG1 3.97Å; V441-V487 HydrophobicContact CG2-CG2 3.93Å; V441-I502 HydrophobicContact CB-CD1 3.82Å; V441-I502 HydrophobicContact CG1-CD1 3.86Å; V441-I502 HydrophobicContact CG1-CG1 4.14Å; V441-I502 HydrophobicContact CG2-CD1 3.95Å
442	Y	86.5	Confident	85.2	Confident	18 Å²	18	57.7 Å²	57.7	7%	0.071	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.9	-176.8	-67.1	-97.9	0	0	0	111.4	L400 G401 E403 M409 Q440 T449 N452 N453 L454	L400-Y442 WeakPolarHBondContact CA-O 3.43Å; G401-Y442 PolarHBondContact N-O 3.32Å; G401-Y442 PolarHBondContact O-N 3Å; E403-Y442 HydrophobicContact CB-CD2 4.44Å; E403-Y442 HydrophobicContact CB-CE2 3.82Å; E403-Y442 PolarHBondContact OE2-OH 2.91Å; M409-Y442 WeakPolarHBondContact CE-O 3.44Å; Q440-Y442 HydrophobicContact CB-CD2 4.34Å; Q440-Y442 HydrophobicContact CB-CE2 3.53Å; Q440-Y442 WeakPolarHBondContact O-CD2 3.42Å; Y442-T449 HydrophobicContact CD1-CG2 4.47Å; Y442-T449 HydrophobicContact CD2-CG2 3.8Å; Y442-T449 HydrophobicContact CE1-CG2 4.45Å; Y442-T449 WeakPolarHBondContact CE1-O 3.33Å; Y442-T449 HydrophobicContact CE2-CG2 3.77Å; Y442-T449 HydrophobicContact CG-CG2 4.16Å; Y442-N452 HydrophobicContact CD1-CB 4.21Å; Y442-N453 CarbonylContact C-O 3.6Å; Y442-N453 WeakPolarHBondContact CA-O 3.29Å; Y442-L454 HydrophobicContact CD1-CB 3.99Å; Y442-L454 HydrophobicContact CD1-CD1 4.2Å; Y442-L454 HydrophobicContact CD2-CD1 4.21Å; Y442-L454 HydrophobicContact CE1-CB 3.67Å; Y442-L454 HydrophobicContact CE1-CD1 3.75Å; Y442-L454 HydrophobicContact CE1-CG 4.29Å; Y442-L454 HydrophobicContact CE2-CD1 3.76Å; Y442-L454 HydrophobicContact CG-CD1 4.42Å
443	E	83.8	Confident	84.5	Confident	11 Å²	11	57.3 Å²	57.3	5%	0.051	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.2	161.1	64.3	177.7	-168.4	0	0	110.2	N150 L398 S399 L400 N452 N453 L455	N150-E443 WeakPolarHBondContact CB-OE1 3.38Å; N150-E443 WeakPolarHBondContact CB-OE2 3.47Å; L398-E443 HydrophobicContact CB-CB 4.45Å; L398-E443 HydrophobicContact CD1-CG 4.45Å; S399-E443 VanDerWaalsContact O-CA 3.31Å; S399-E443 WeakPolarHBondContact O-CA 3.29Å; L400-E443 HydrophobicContact CD2-CB 3.62Å; E443-N452 WeakPolarHBondContact O-CB 3.4Å; E443-N453 HydrophobicContact CG-CB 3.61Å; E443-N453 PolarHBondContact N-O 3.26Å; E443-N453 PolarHBondContact O-N 3.41Å; E443-N453 PolarHBondContact OE1-ND2 3.46Å; E443-L455 HydrophobicContact CB-CD1 3.85Å; E443-L455 HydrophobicContact CB-CD2 4.41Å; E443-L455 HydrophobicContact CB-CG 4.13Å; E443-L455 HydrophobicContact CG-CD1 4.12Å; E443-L455 HydrophobicContact CG-CD2 3.74Å; E443-L455 HydrophobicContact CG-CG 3.91Å
444	G	79.6	Confident	84.2	Confident	9 Å²	9	56.4 Å²	56.4	9%	0.093	29%	0.292	C	S	.	.	S	Bend	trans	141.5	175	172.3	0	0	0	0	0	114.4	S399 N452	S399-G444 PolarHBondContact O-N 3.31Å; G444-N452 WeakPolarHBondContact CA-OD1 3.46Å
445	E	80.3	Confident	83.8	Confident	98 Å²	98	54.7 Å²	54.7	46%	0.458	28%	0.284	S	S	.	.	S	Bend	trans	-112.6	6.1	-172.1	-57.2	-59	133.8	0	0	113.1	L398 S399 R415 N452	L398-E445 HydrophobicContact CD2-CG 4.16Å; S399-E445 WeakPolarHBondContact CB-OE1 3.24Å; S399-E445 PolarHBondContact N-OE1 3.46Å; S399-E445 PolarHBondContact OG-OE1 2.86Å; S399-E445 PolarHBondContact OG-OE2 2.67Å; R415-E445 WeakPolarHBondContact CD-OE1 3.45Å; E445-N452 PolarHBondContact N-OD1 3.38Å
446	R	81	Confident	83.6	Confident	170 Å²	170	50.8 Å²	50.8	64%	0.642	26%	0.261	S	S	*	.			trans	-83.1	147.4	176.8	-54.6	-60.8	-166.1	179.9	1.9	110.3	M409 M448 D451 N452	M409-R446 WeakPolarHBondContact CB-O 3.39Å; R446-M448 VanDerWaalsContact C-N 3.31Å; R446-M448 PolarHBondContact O-N 2.91Å; R446-D451 HydrophobicContact CB-CB 3.82Å; R446-D451 HydrophobicContact CG-CB 3.83Å; R446-D451 WeakPolarHBondContact CG-O 3.22Å; R446-N452 WeakPolarHBondContact CA-OD1 3.14Å; R446-N452 WeakPolarHBondContact CB-OD1 3.41Å; R446-N452 PolarHBondContact N-OD1 3.38Å; R446-N452 PolarHBondContact O-ND2 3.11Å
447	A	82	Confident	83.5	Confident	75 Å²	75	55 Å²	55	62%	0.62	28%	0.277	S	S	*	.	S	Bend	trans	-68.4	-29.2	179.9	0	0	0	0	0	113.2	M409	M409-A447 PolarHBondContact N-O 2.89Å
448	M	81.1	Confident	83.6	Confident	68 Å²	68	55.2 Å²	55.2	34%	0.335	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-104.8	136.3	179.8	-56.6	-60.2	-66.1	0	0	110.1	G406 G407 V408 R446 K450 D451 N452	G406-M448 WeakPolarHBondContact O-CE 3.33Å; G407-M448 WeakPolarHBondContact O-CA 3.49Å; G407-M448 WeakPolarHBondContact O-CE 3.17Å; V408-M448 HydrophobicContact CG2-SD 4.35Å; R446-M448 VanDerWaalsContact C-N 3.31Å; R446-M448 PolarHBondContact O-N 2.91Å; M448-K450 VanDerWaalsContact C-N 3.29Å; M448-K450 HydrophobicContact CB-CG 4Å; M448-K450 PolarHBondContact O-N 2.93Å; M448-D451 PolarHBondContact O-N 3.41Å; M448-N452 PolarHBondContact O-ND2 3.21Å
449	T	84.3	Confident	83.6	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.031	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-64.7	-31.2	-177.7	52.1	0	0	0	0	113.5	E403 G407 M409 Y442 D451 N452	E403-T449 HydrophobicContact CB-CG2 3.8Å; E403-T449 HydrophobicContact CG-CG2 3.86Å; E403-T449 WeakPolarHBondContact OE2-CB 3.4Å; E403-T449 PolarHBondContact OE2-OG1 3.17Å; G407-T449 PolarHBondContact O-N 2.94Å; G407-T449 PolarHBondContact O-OG1 3.5Å; M409-T449 HydrophobicContact CB-CG2 4.01Å; M409-T449 HydrophobicContact SD-CG2 4.31Å; Y442-T449 HydrophobicContact CD1-CG2 4.47Å; Y442-T449 HydrophobicContact CD2-CG2 3.8Å; Y442-T449 HydrophobicContact CE1-CG2 4.45Å; Y442-T449 WeakPolarHBondContact CE1-O 3.33Å; Y442-T449 HydrophobicContact CE2-CG2 3.77Å; Y442-T449 HydrophobicContact CG-CG2 4.16Å; T449-D451 PolarHBondContact O-N 3.47Å; T449-D451 VanDerWaalsContact O-N 3.1Å; T449-N452 PolarHBondContact O-N 3.4Å
450	K	78	Confident	83.5	Confident	165 Å²	165	55.5 Å²	55.5	72%	0.717	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-57.8	-22.7	175.2	68.7	172.6	-172.1	173.6	0	114.3	M448	M448-K450 VanDerWaalsContact C-N 3.29Å; M448-K450 HydrophobicContact CB-CG 4Å; M448-K450 PolarHBondContact O-N 2.93Å
451	D	74.7	Confident	83.5	Confident	92 Å²	92	58 Å²	58	49%	0.492	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-104.5	3.5	-178.3	-54.6	-51	0	0	0	111.7	R446 M448 T449	R446-D451 HydrophobicContact CB-CB 3.82Å; R446-D451 HydrophobicContact CG-CB 3.83Å; R446-D451 WeakPolarHBondContact CG-O 3.22Å; M448-D451 PolarHBondContact O-N 3.41Å; T449-D451 PolarHBondContact O-N 3.47Å; T449-D451 VanDerWaalsContact O-N 3.1Å
452	N	77.8	Confident	83.4	Confident	18 Å²	18	59.4 Å²	59.4	10%	0.096	31%	0.308	C	S	.	.	S	Bend	trans	-109.2	170.2	175.1	-73.9	-34.7	0	0	0	110.6	M409 Y442 E443 G444 E445 R446 M448 T449	M409-N452 WeakPolarHBondContact CG-ND2 3.41Å; Y442-N452 HydrophobicContact CD1-CB 4.21Å; E443-N452 WeakPolarHBondContact O-CB 3.4Å; G444-N452 WeakPolarHBondContact CA-OD1 3.46Å; E445-N452 PolarHBondContact N-OD1 3.38Å; R446-N452 WeakPolarHBondContact CA-OD1 3.14Å; R446-N452 WeakPolarHBondContact CB-OD1 3.41Å; R446-N452 PolarHBondContact N-OD1 3.38Å; R446-N452 PolarHBondContact O-ND2 3.11Å; M448-N452 PolarHBondContact O-ND2 3.21Å; T449-N452 PolarHBondContact O-N 3.4Å
453	N	74.3	Confident	83.5	Confident	89 Å²	89	59 Å²	59	48%	0.476	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.1	179.3	-58.6	-27.7	0	0	0	109.8	Y442 E443 L455	Y442-N453 CarbonylContact C-O 3.6Å; Y442-N453 WeakPolarHBondContact CA-O 3.29Å; E443-N453 HydrophobicContact CG-CB 3.61Å; E443-N453 PolarHBondContact N-O 3.26Å; E443-N453 PolarHBondContact O-N 3.41Å; E443-N453 PolarHBondContact OE1-ND2 3.46Å; N453-L455 PolarHBondContact O-N 3.14Å
454	L	82.2	Confident	83.7	Confident	79 Å²	79	61.3 Å²	61.3	41%	0.414	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.8	170.3	179	71.4	0	0	0	109.2	Q440 V441 Y442	Q440-L454 HydrophobicContact CB-CD1 4.11Å; V441-L454 WeakPolarHBondContact O-CD1 3.49Å; Y442-L454 HydrophobicContact CD1-CB 3.99Å; Y442-L454 HydrophobicContact CD1-CD1 4.2Å; Y442-L454 HydrophobicContact CD2-CD1 4.21Å; Y442-L454 HydrophobicContact CE1-CB 3.67Å; Y442-L454 HydrophobicContact CE1-CD1 3.75Å; Y442-L454 HydrophobicContact CE1-CG 4.29Å; Y442-L454 HydrophobicContact CE2-CD1 3.76Å; Y442-L454 HydrophobicContact CG-CD1 4.42Å
455	L	80	Confident	84.1	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-33.8	178.3	-67.1	-176.3	0	0	0	113.1	L400 V441 E443 N453 L485 I502 N504	L400-L455 HydrophobicContact CD2-CD1 3.88Å; V441-L455 HydrophobicContact CG1-CB 4.36Å; V441-L455 HydrophobicContact CG1-CD1 4.49Å; V441-L455 PolarHBondContact O-N 3.39Å; E443-L455 HydrophobicContact CB-CD1 3.85Å; E443-L455 HydrophobicContact CB-CD2 4.41Å; E443-L455 HydrophobicContact CB-CG 4.13Å; E443-L455 HydrophobicContact CG-CD1 4.12Å; E443-L455 HydrophobicContact CG-CD2 3.74Å; E443-L455 HydrophobicContact CG-CG 3.91Å; N453-L455 PolarHBondContact O-N 3.14Å; L455-L485 HydrophobicContact CD1-CD2 4.34Å; L455-I502 HydrophobicContact CB-CG2 3.58Å; L455-I502 HydrophobicContact CD1-CG2 4.09Å; L455-I502 HydrophobicContact CG-CG2 4.37Å; L455-N504 PolarHBondContact O-OD1 3.08Å; L455-N504 VanDerWaalsContact O-OD1 3.13Å
456	G	83.3	Confident	84.6	Confident	13 Å²	13	62.2 Å²	62.2	13%	0.134	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	166.6	-176.7	0	0	0	0	0	112.5	V441	V441-G456 PolarHBondContact N-O 2.84Å; V441-G456 PolarHBondContact O-N 3.04Å
457	K	88.7	Confident	85	Confident	96 Å²	96	58 Å²	58	42%	0.417	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	148.4	173.8	64.3	-177.8	-179.3	179.9	0	112.3	L438 I439 Q440	L438-K457 HydrophobicContact CD1-CB 4.46Å; L438-K457 HydrophobicContact CD1-CD 4.44Å; I439-K457 CarbonylContact O-C 3.43Å; I439-K457 WeakPolarHBondContact O-CA 3.45Å; I439-K457 VanDerWaalsContact O-CB 3.29Å; I439-K457 WeakPolarHBondContact O-CB 3.49Å; Q440-K457 HydrophobicContact CB-CB 4.34Å; Q440-K457 HydrophobicContact CG-CB 3.94Å; Q440-K457 HydrophobicContact CG-CD 4.31Å
458	F	91.5	Very high	85.3	Confident	18 Å²	18	62.5 Å²	62.5	8%	0.079	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.3	176.9	66.4	-78.1	0	0	0	110	I439 V487 A489 N498 I500	I439-F458 HydrophobicContact CB-CD1 4.02Å; I439-F458 HydrophobicContact CB-CE1 3.64Å; I439-F458 HydrophobicContact CB-CE2 4.25Å; I439-F458 HydrophobicContact CB-CG 4.49Å; I439-F458 HydrophobicContact CB-CZ 3.78Å; I439-F458 HydrophobicContact CG1-CE1 4.3Å; I439-F458 HydrophobicContact CG1-CE2 4.08Å; I439-F458 HydrophobicContact CG1-CZ 3.91Å; I439-F458 HydrophobicContact CG2-CD1 4.3Å; I439-F458 HydrophobicContact CG2-CE1 3.55Å; I439-F458 HydrophobicContact CG2-CZ 3.84Å; I439-F458 PolarHBondContact N-O 3.13Å; I439-F458 PolarHBondContact O-N 3.3Å; F458-V487 HydrophobicContact CE1-CB 4.25Å; F458-V487 HydrophobicContact CE1-CG1 3.87Å; F458-V487 HydrophobicContact CZ-CG1 4.11Å; F458-A489 HydrophobicContact CE2-CB 3.75Å; F458-A489 HydrophobicContact CZ-CB 3.89Å; F458-N498 HydrophobicContact CD2-CB 3.89Å; F458-N498 HydrophobicContact CE2-CB 4.08Å; F458-N498 WeakPolarHBondContact CE2-O 3.3Å; F458-I500 HydrophobicContact CB-CB 4.38Å; F458-I500 HydrophobicContact CD1-CB 3.72Å; F458-I500 HydrophobicContact CD1-CG2 3.26Å; F458-I500 HydrophobicContact CE1-CB 4.25Å; F458-I500 HydrophobicContact CE1-CG2 3.45Å; F458-I500 VanDerWaalsContact CE1-CG2 3.45Å; F458-I500 HydrophobicContact CG-CB 4.17Å; F458-I500 HydrophobicContact CG-CG2 4.19Å; F458-I500 HydrophobicContact CZ-CG2 4.47Å
459	E	90.9	Very high	85.5	Confident	100 Å²	100	61.2 Å²	61.2	47%	0.467	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.8	-178	-165.5	-179.4	-179.6	0	0	110.6	V437 L438 T461 N498	V437-E459 WeakPolarHBondContact O-CA 3.48Å; L438-E459 HydrophobicContact CD1-CB 4.37Å; E459-T461 HydrophobicContact CB-CG2 4.3Å; E459-T461 VanDerWaalsContact CD-CG2 3.48Å; E459-T461 HydrophobicContact CG-CG2 3.66Å; E459-N498 PolarHBondContact O-ND2 3.46Å
460	L	91.2	Very high	85.8	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.3	167.4	175.6	67.7	0	0	0	108	G436 V437 I473 A489 D491 R496 N498	G436-L460 CarbonylContact C-O 3.59Å; G436-L460 WeakPolarHBondContact CA-O 3.48Å; V437-L460 HydrophobicContact CG2-CB 3.79Å; V437-L460 HydrophobicContact CG2-CD2 4.19Å; V437-L460 HydrophobicContact CG2-CG 4.43Å; V437-L460 PolarHBondContact N-O 3.29Å; V437-L460 PolarHBondContact O-N 2.87Å; L460-I473 HydrophobicContact CD2-CD1 4.11Å; L460-I473 HydrophobicContact CD2-CG2 3.84Å; L460-A489 HydrophobicContact CD2-CB 4.19Å; L460-D491 HydrophobicContact CD2-CB 4.32Å; L460-R496 HydrophobicContact CD1-CB 4.44Å; L460-N498 HydrophobicContact CD1-CB 4.12Å
461	T	91.8	Very high	86.4	Confident	84 Å²	84	57.8 Å²	57.8	52%	0.515	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	165	-176.2	58.7	0	0	0	0	112.7	E459	E459-T461 HydrophobicContact CB-CG2 4.3Å; E459-T461 VanDerWaalsContact CD-CG2 3.48Å; E459-T461 HydrophobicContact CG-CG2 3.66Å
462	G	87.4	Confident	87.2	Confident	30 Å²	30	58.1 Å²	58.1	31%	0.309	33%	0.328	S	S	.	.			trans	79.4	33.3	174.4	0	0	0	0	0	113.6	P435 R496	P435-G462 PolarHBondContact O-N 2.92Å; G462-R496 VanDerWaalsContact CA-NH1 3.3Å; G462-R496 PolarHBondContact O-NH1 2.81Å
463	I	88.6	Confident	88	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.041	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-73.9	127.3	171	-59.8	172.1	0	0	0	107.9	T429 P435 V437 P471 I473	T429-I463 HydrophobicContact CG2-CD1 4.21Å; P435-I463 PolarHBondContact O-N 2.81Å; V437-I463 HydrophobicContact CB-CD1 4.4Å; V437-I463 HydrophobicContact CG1-CD1 3.78Å; V437-I463 HydrophobicContact CG2-CD1 4.09Å; I463-P471 HydrophobicContact CG2-CB 3.78Å; I463-P471 HydrophobicContact CG2-CG 3.87Å; I463-I473 HydrophobicContact CD1-CD1 3.85Å; I463-I473 HydrophobicContact CG1-CD1 4.43Å
464	P	88.7	Confident	89	Confident	60 Å²	60	55.7 Å²	55.7	39%	0.39	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-57.7	143.1	177.4	-24.8	34.2	0	0	0	112.1	A466 T494	P464-A466 PolarHBondContact O-N 2.92Å; P464-A466 VanDerWaalsContact O-N 3.11Å; P464-T494 HydrophobicContact CG-CG2 3.53Å
465	P	89.1	Confident	89.7	Confident	106 Å²	106	52 Å²	52	69%	0.688	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-57.5	116.9	176	-24.3	34	0	0	0	111.6	N433	N433-P465 HydrophobicContact CB-CB 4.14Å; N433-P465 WeakPolarHBondContact OD1-CB 3.44Å
466	A	90.1	Very high	90.4	Very high	20 Å²	20	52.2 Å²	52.2	17%	0.165	30%	0.296	C	S	.	.			trans	-147.8	158.4	176.4	0	0	0	0	0	110	N433 P464 V470 P471	N433-A466 PolarHBondContact N-O 3.31Å; N433-A466 PolarHBondContact OD1-N 3.37Å; P464-A466 PolarHBondContact O-N 2.92Å; P464-A466 VanDerWaalsContact O-N 3.11Å; A466-V470 HydrophobicContact CB-CB 4.17Å; A466-V470 HydrophobicContact CB-CG1 4.19Å; A466-P471 HydrophobicContact CB-CG 4.01Å
467	P	88.8	Confident	90.9	Very high	82 Å²	82	51.6 Å²	51.6	53%	0.532	29%	0.289	S	S	.	.			trans	-55.7	147.8	171.5	-23.3	33.6	0	0	0	111.8	V470 P471	P467-V470 HydrophobicContact CB-CG2 4.13Å; P467-V470 HydrophobicContact CG-CG2 4.42Å; P467-V470 WeakPolarHBondContact O-CB 3.25Å; P467-V470 PolarHBondContact O-N 3.17Å; P467-V470 VanDerWaalsContact O-N 3.12Å; P467-P471 WeakPolarHBondContact O-CD 3.29Å
468	R	88	Confident	91.1	Very high	170 Å²	170	49.6 Å²	49.6	64%	0.642	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	143.1	174.4	70.7	-174.4	179.8	178.3	-2.6	110.4	D432 V470	D432-R468 WeakPolarHBondContact OD1-CB 3.47Å; D432-R468 WeakPolarHBondContact OD1-CG 3.45Å; D432-R468 PolarHBondContact OD1-N 3.39Å; R468-V470 VanDerWaalsContact C-N 3.27Å; R468-V470 PolarHBondContact O-N 3.03Å
469	G	86	Confident	91	Very high	40 Å²	40	48.9 Å²	48.9	41%	0.412	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-15	-175.9	0	0	0	0	0	115.5	T428 T429	T428-G469 WeakPolarHBondContact CG2-O 3.4Å; T429-G469 PolarHBondContact O-N 3.19Å
470	V	90.8	Very high	90.7	Very high	90 Å²	90	46.3 Å²	46.3	55%	0.545	27%	0.27	S	S	.	.			trans	-82.3	-50	178.8	177.6	0	0	0	0	112.6	A466 P467 R468 Q472	A466-V470 HydrophobicContact CB-CB 4.17Å; A466-V470 HydrophobicContact CB-CG1 4.19Å; P467-V470 HydrophobicContact CB-CG2 4.13Å; P467-V470 HydrophobicContact CG-CG2 4.42Å; P467-V470 WeakPolarHBondContact O-CB 3.25Å; P467-V470 PolarHBondContact O-N 3.17Å; P467-V470 VanDerWaalsContact O-N 3.12Å; R468-V470 VanDerWaalsContact C-N 3.27Å; R468-V470 PolarHBondContact O-N 3.03Å; V470-Q472 PolarHBondContact O-N 3.28Å
471	P	89.8	Confident	90.2	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.058	29%	0.286	C	S	.	.	S	Bend	trans	-62.2	128.2	174.5	-21.8	33.8	0	0	0	111.3	T428 T429 I463 A466 P467	T428-P471 VanDerWaalsContact CA-O 3.28Å; T428-P471 WeakPolarHBondContact CA-O 3.45Å; T428-P471 WeakPolarHBondContact CB-O 3.25Å; T429-P471 HydrophobicContact CG2-CB 3.87Å; T429-P471 HydrophobicContact CG2-CG 3.87Å; T429-P471 WeakPolarHBondContact OG1-CD 3.42Å; I463-P471 HydrophobicContact CG2-CB 3.78Å; I463-P471 HydrophobicContact CG2-CG 3.87Å; A466-P471 HydrophobicContact CB-CG 4.01Å; P467-P471 WeakPolarHBondContact O-CD 3.29Å
472	Q	93.1	Very high	89.4	Confident	99 Å²	99	45.6 Å²	45.6	46%	0.463	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.8	179.5	-69.4	-172.3	-0.8	0	0	110.2	V426 V470 K492	V426-Q472 HydrophobicContact CG1-CB 3.8Å; V426-Q472 HydrophobicContact CG1-CG 4.16Å; V470-Q472 PolarHBondContact O-N 3.28Å; Q472-K492 HydrophobicContact CB-CB 4.31Å; Q472-K492 HydrophobicContact CB-CG 4.49Å; Q472-K492 PolarHBondContact O-N 2.65Å
473	I	93.8	Very high	88.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.7	-178.6	-48.1	-54.4	0	0	0	109	F427 V437 L460 I463 V475 A489 V490 D491	F427-I473 PolarHBondContact N-O 3.17Å; F427-I473 PolarHBondContact O-N 2.97Å; V437-I473 HydrophobicContact CG1-CG1 4.34Å; V437-I473 HydrophobicContact CG2-CG1 4.22Å; V437-I473 HydrophobicContact CG2-CG2 4.1Å; L460-I473 HydrophobicContact CD2-CD1 4.11Å; L460-I473 HydrophobicContact CD2-CG2 3.84Å; I463-I473 HydrophobicContact CD1-CD1 3.85Å; I463-I473 HydrophobicContact CG1-CD1 4.43Å; I473-V475 HydrophobicContact CG2-CG2 4.32Å; I473-V475 PolarHBondContact O-N 3.35Å; I473-A489 HydrophobicContact CG2-CB 4.08Å; I473-V490 CarbonylContact C-O 3.59Å; I473-V490 WeakPolarHBondContact CA-O 3.44Å; I473-D491 HydrophobicContact CD1-CB 3.91Å
474	E	95.9	Very high	88.5	Confident	54 Å²	54	45.2 Å²	45.2	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.8	174.4	-172.7	166.4	-104.8	0	0	110.4	V426 A489 V490 K492	V426-E474 HydrophobicContact CG2-CB 4.41Å; V426-E474 HydrophobicContact CG2-CG 4.47Å; E474-A489 CarbonylContact O-C 3.57Å; E474-A489 VanDerWaalsContact O-CA 3.29Å; E474-A489 WeakPolarHBondContact O-CA 3.45Å; E474-V490 PolarHBondContact N-O 3.38Å; E474-V490 PolarHBondContact O-N 3.24Å; E474-K492 HydrophobicContact CB-CG 4.41Å; E474-K492 VanDerWaalsContact CD-CE 3.41Å; E474-K492 WeakPolarHBondContact OE1-CE 3.21Å; E474-K492 IonicContact OE1-NZ 2.96Å; E474-K492 PolarHBondContact OE1-NZ 2.85Å
475	V	95.3	Very high	88.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.4	174.1	-179.1	0	0	0	0	108.6	I402 L412 S424 Q425 F427 I439 I473 F477 V487 S488 A489	I402-V475 HydrophobicContact CD1-CG1 4.45Å; I402-V475 HydrophobicContact CD1-CG2 4.2Å; I402-V475 HydrophobicContact CG2-CG1 4.29Å; L412-V475 HydrophobicContact CD2-CG1 4.26Å; S424-V475 CarbonylContact C-O 3.52Å; S424-V475 VanDerWaalsContact CA-O 3.32Å; S424-V475 WeakPolarHBondContact CA-O 3.09Å; Q425-V475 PolarHBondContact N-O 3.33Å; Q425-V475 PolarHBondContact O-N 3Å; F427-V475 HydrophobicContact CD2-CB 3.94Å; F427-V475 HydrophobicContact CD2-CG2 3.74Å; F427-V475 HydrophobicContact CE2-CB 4Å; F427-V475 HydrophobicContact CE2-CG2 4.23Å; I439-V475 HydrophobicContact CD1-CG2 3.99Å; I473-V475 HydrophobicContact CG2-CG2 4.32Å; I473-V475 PolarHBondContact O-N 3.35Å; V475-F477 HydrophobicContact CG1-CD2 4.05Å; V475-F477 HydrophobicContact CG1-CE2 3.75Å; V475-V487 HydrophobicContact CG1-CG1 3.98Å; V475-S488 CarbonylContact C-O 3.56Å; V475-S488 VanDerWaalsContact CA-O 3.28Å; V475-S488 WeakPolarHBondContact CA-O 3.4Å; V475-A489 HydrophobicContact CG2-CB 4.2Å
476	T	95.7	Very high	88.2	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.8	-178.7	-59.2	0	0	0	0	110.1	K422 V423 S424 V487 S488	K422-T476 HydrophobicContact CD-CG2 4.29Å; K422-T476 VanDerWaalsContact CE-CG2 3.44Å; K422-T476 HydrophobicContact CG-CG2 3.84Å; V423-T476 CarbonylContact O-C 3.56Å; V423-T476 WeakPolarHBondContact O-CA 3.43Å; S424-T476 WeakPolarHBondContact CB-OG1 3.46Å; S424-T476 WeakPolarHBondContact OG-CB 3.22Å; S424-T476 VanDerWaalsContact OG-CG2 3.25Å; S424-T476 WeakPolarHBondContact OG-CG2 3.3Å; S424-T476 PolarHBondContact OG-OG1 2.84Å; T476-V487 CarbonylContact O-C 3.58Å; T476-V487 VanDerWaalsContact O-CA 3.26Å; T476-V487 WeakPolarHBondContact O-CA 3.49Å; T476-S488 PolarHBondContact N-O 3.32Å; T476-S488 PolarHBondContact O-N 3.3Å
477	F	94.8	Very high	88.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.6	170.4	-79.8	-134.9	0	0	0	107.7	L400 I402 L412 I413 K422 V423 V441 V475 L485 N486 V487	L400-F477 HydrophobicContact CB-CD1 3.88Å; L400-F477 HydrophobicContact CB-CE1 3.82Å; I402-F477 HydrophobicContact CG2-CE2 3.59Å; I402-F477 HydrophobicContact CG2-CZ 3.54Å; L412-F477 HydrophobicContact CB-CD2 4.43Å; L412-F477 HydrophobicContact CB-CG 4.38Å; L412-F477 HydrophobicContact CD1-CE2 4.35Å; L412-F477 HydrophobicContact CD2-CD2 3.64Å; L412-F477 HydrophobicContact CD2-CE2 3.92Å; L412-F477 HydrophobicContact CD2-CG 4.32Å; L412-F477 HydrophobicContact CG-CD2 4.49Å; I413-F477 HydrophobicContact CD1-CB 3.55Å; I413-F477 HydrophobicContact CD1-CD1 4.41Å; I413-F477 HydrophobicContact CD1-CG 4.46Å; I413-F477 HydrophobicContact CG1-CB 4.14Å; K422-F477 CarbonylContact C-O 3.53Å; K422-F477 VanDerWaalsContact CA-O 3.3Å; K422-F477 WeakPolarHBondContact CA-O 3.22Å; V423-F477 PolarHBondContact N-O 3.32Å; V423-F477 PolarHBondContact O-N 3.45Å; V441-F477 HydrophobicContact CG1-CE1 3.89Å; V441-F477 HydrophobicContact CG1-CZ 3.82Å; V441-F477 HydrophobicContact CG2-CZ 4.29Å; V475-F477 HydrophobicContact CG1-CD2 4.05Å; V475-F477 HydrophobicContact CG1-CE2 3.75Å; F477-L485 HydrophobicContact CB-CD1 3.9Å; F477-L485 HydrophobicContact CD1-CD1 3.6Å; F477-L485 HydrophobicContact CD1-CD2 3.95Å; F477-L485 HydrophobicContact CD1-CG 4.41Å; F477-L485 HydrophobicContact CE1-CD1 4.4Å; F477-L485 HydrophobicContact CE1-CD2 3.95Å; F477-L485 HydrophobicContact CG-CD1 3.98Å; F477-N486 CarbonylContact C-O 3.12Å; F477-N486 WeakPolarHBondContact CA-O 3.31Å; F477-V487 HydrophobicContact CD1-CG2 4.12Å; F477-V487 HydrophobicContact CD2-CB 4.41Å; F477-V487 HydrophobicContact CD2-CG1 3.79Å; F477-V487 HydrophobicContact CD2-CG2 3.89Å; F477-V487 HydrophobicContact CE1-CG2 4.06Å; F477-V487 HydrophobicContact CE2-CB 4.34Å; F477-V487 HydrophobicContact CE2-CG1 3.51Å; F477-V487 HydrophobicContact CE2-CG2 3.83Å; F477-V487 HydrophobicContact CG-CG2 4.03Å; F477-V487 HydrophobicContact CZ-CG1 4.23Å; F477-V487 HydrophobicContact CZ-CG2 3.92Å
478	D	92.5	Very high	88.6	Confident	54 Å²	54	36.2 Å²	36.2	29%	0.289	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	104.7	-175.2	-170.4	-15.7	0	0	0	108.3	K422 N486	K422-D478 HydrophobicContact CD-CB 4.38Å; K422-D478 WeakPolarHBondContact CE-OD2 3.46Å; K422-D478 HydrophobicContact CG-CB 4.16Å; K422-D478 IonicContact NZ-OD2 2.74Å; K422-D478 PolarHBondContact NZ-OD2 3.12Å; K422-D478 VanDerWaalsContact NZ-OD2 3.11Å; D478-N486 HydrophobicContact CB-CB 4.25Å; D478-N486 PolarHBondContact N-O 2.89Å; D478-N486 WeakPolarHBondContact O-CB 3.37Å; D478-N486 PolarHBondContact O-N 3.45Å; D478-N486 PolarHBondContact O-ND2 2.98Å
479	I	87.8	Confident	88.9	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.2	-178.8	-51.3	175.3	0	0	0	108.7	T396 L400 I413 I419 P420 T421 L485	T396-I479 HydrophobicContact CG2-CD1 3.44Å; T396-I479 VanDerWaalsContact CG2-CD1 3.44Å; L400-I479 HydrophobicContact CD1-CD1 3.42Å; L400-I479 VanDerWaalsContact CD1-CD1 3.42Å; L400-I479 HydrophobicContact CD1-CG1 4.19Å; I413-I479 HydrophobicContact CD1-CD1 3.52Å; I413-I479 HydrophobicContact CD1-CG1 3.78Å; I413-I479 HydrophobicContact CG2-CD1 4.09Å; I419-I479 HydrophobicContact CB-CG2 4.39Å; I419-I479 HydrophobicContact CG2-CB 4.16Å; I419-I479 HydrophobicContact CG2-CD1 4.31Å; I419-I479 HydrophobicContact CG2-CG2 3.8Å; P420-I479 VanDerWaalsContact CA-O 3.24Å; P420-I479 WeakPolarHBondContact CA-O 3.43Å; P420-I479 WeakPolarHBondContact CB-O 3.31Å; T421-I479 HydrophobicContact CG2-CB 4.37Å; T421-I479 HydrophobicContact CG2-CD1 4.17Å; T421-I479 HydrophobicContact CG2-CG1 4.44Å; T421-I479 PolarHBondContact N-O 3.1Å; T421-I479 PolarHBondContact O-N 3.03Å; I479-L485 HydrophobicContact CG1-CB 4.49Å; I479-L485 HydrophobicContact CG1-CD1 3.77Å
480	D	85.1	Confident	89.3	Confident	47 Å²	47	27.6 Å²	27.6	25%	0.251	16%	0.158	S	C	.	.			trans	-81.4	179.2	179.1	83.1	-4.5	0	0	0	113.1	N482 G483 I484	D480-N482 PolarHBondContact O-N 3.2Å; D480-N482 WeakPolarHBondContact OD1-CA 3.03Å; D480-N482 WeakPolarHBondContact OD1-CB 3.39Å; D480-N482 PolarHBondContact OD1-N 3.24Å; D480-N482 PolarHBondContact OD2-ND2 3.15Å; D480-G483 PolarHBondContact O-N 3.43Å; D480-G483 PolarHBondContact OD1-N 3.44Å; D480-G483 VanDerWaalsContact OD1-N 3.15Å; D480-I484 PolarHBondContact N-O 2.96Å; D480-I484 PolarHBondContact OD1-N 2.97Å
481	A	80.4	Confident	89.4	Confident	44 Å²	44	23.4 Å²	23.4	36%	0.364	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-7.9	179.4	0	0	0	0	0	114.6	G483	A481-G483 VanDerWaalsContact C-N 3.35Å
482	N	74.8	Confident	89.5	Confident	30 Å²	30	27.8 Å²	27.8	16%	0.16	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.7	171.4	-55.9	-67	0	0	0	111.8	R170 I171 D480 I484	R170-N482 WeakPolarHBondContact CA-OD1 3.14Å; I171-N482 PolarHBondContact N-OD1 3.08Å; D480-N482 PolarHBondContact O-N 3.2Å; D480-N482 WeakPolarHBondContact OD1-CA 3.03Å; D480-N482 WeakPolarHBondContact OD1-CB 3.39Å; D480-N482 PolarHBondContact OD1-N 3.24Å; D480-N482 PolarHBondContact OD2-ND2 3.15Å; N482-I484 HydrophobicContact CB-CD1 4.12Å; N482-I484 HydrophobicContact CB-CG1 4.1Å
483	G	77.5	Confident	89.2	Confident	11 Å²	11	27.2 Å²	27.2	11%	0.113	16%	0.158	C	C	.	.			trans	81.6	12.2	-172.9	0	0	0	0	0	113.9	D480 A481	D480-G483 PolarHBondContact O-N 3.43Å; D480-G483 PolarHBondContact OD1-N 3.44Å; D480-G483 VanDerWaalsContact OD1-N 3.15Å; A481-G483 VanDerWaalsContact C-N 3.35Å
484	I	80.1	Confident	88.9	Confident	19 Å²	19	30 Å²	30	10%	0.097	18%	0.175	C	C	.	.			trans	-82.6	121.2	-177.9	-60.7	171.8	0	0	0	109.8	D480 N482 T501	D480-I484 PolarHBondContact N-O 2.96Å; D480-I484 PolarHBondContact OD1-N 2.97Å; N482-I484 HydrophobicContact CB-CD1 4.12Å; N482-I484 HydrophobicContact CB-CG1 4.1Å; I484-T501 HydrophobicContact CG2-CG2 3.99Å
485	L	84.5	Confident	88.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.2	179.5	174.7	63.7	0	0	0	112.6	L400 V441 L455 F477 I479 V487 I502	L400-L485 HydrophobicContact CB-CD2 4.45Å; L400-L485 HydrophobicContact CD1-CD1 4.27Å; L400-L485 HydrophobicContact CD1-CD2 3.93Å; L400-L485 HydrophobicContact CD1-CG 4.48Å; L400-L485 HydrophobicContact CD2-CD2 4.39Å; L400-L485 HydrophobicContact CG-CD2 4.49Å; V441-L485 HydrophobicContact CG1-CD2 3.89Å; L455-L485 HydrophobicContact CD1-CD2 4.34Å; F477-L485 HydrophobicContact CB-CD1 3.9Å; F477-L485 HydrophobicContact CD1-CD1 3.6Å; F477-L485 HydrophobicContact CD1-CD2 3.95Å; F477-L485 HydrophobicContact CD1-CG 4.41Å; F477-L485 HydrophobicContact CE1-CD1 4.4Å; F477-L485 HydrophobicContact CE1-CD2 3.95Å; F477-L485 HydrophobicContact CG-CD1 3.98Å; I479-L485 HydrophobicContact CG1-CB 4.49Å; I479-L485 HydrophobicContact CG1-CD1 3.77Å; L485-V487 HydrophobicContact CD1-CG2 3.91Å; L485-V487 HydrophobicContact CD2-CG2 3.87Å; L485-V487 HydrophobicContact CG-CG2 3.76Å; L485-I502 HydrophobicContact CB-CB 4.1Å; L485-I502 HydrophobicContact CB-CG1 4.31Å; L485-I502 HydrophobicContact CD2-CB 4.28Å; L485-I502 HydrophobicContact CD2-CG1 3.77Å; L485-I502 HydrophobicContact CG-CB 4.2Å; L485-I502 HydrophobicContact CG-CG1 3.84Å; L485-I502 WeakPolarHBondContact O-CB 3.16Å; L485-I502 PolarHBondContact O-N 3.27Å
486	N	88.5	Confident	88.1	Confident	51 Å²	51	36.4 Å²	36.4	27%	0.273	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.3	166.7	-59.9	-87.7	0	0	0	109.3	F477 D478 T501	F477-N486 CarbonylContact C-O 3.12Å; F477-N486 WeakPolarHBondContact CA-O 3.31Å; D478-N486 HydrophobicContact CB-CB 4.25Å; D478-N486 PolarHBondContact N-O 2.89Å; D478-N486 WeakPolarHBondContact O-CB 3.37Å; D478-N486 PolarHBondContact O-N 3.45Å; D478-N486 PolarHBondContact O-ND2 2.98Å; N486-T501 WeakPolarHBondContact OD1-CB 3.35Å; N486-T501 VanDerWaalsContact OD1-CG2 3.24Å; N486-T501 WeakPolarHBondContact OD1-CG2 3.18Å; N486-T501 PolarHBondContact OD1-OG1 3.36Å
487	V	91.9	Very high	88	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.9	178.1	-175.5	0	0	0	0	110.1	V441 F458 V475 T476 F477 L485 K499 I500 I502	V441-V487 HydrophobicContact CG1-CG2 4.06Å; V441-V487 HydrophobicContact CG2-CB 4.14Å; V441-V487 HydrophobicContact CG2-CG1 3.97Å; V441-V487 HydrophobicContact CG2-CG2 3.93Å; F458-V487 HydrophobicContact CE1-CB 4.25Å; F458-V487 HydrophobicContact CE1-CG1 3.87Å; F458-V487 HydrophobicContact CZ-CG1 4.11Å; V475-V487 HydrophobicContact CG1-CG1 3.98Å; T476-V487 CarbonylContact O-C 3.58Å; T476-V487 VanDerWaalsContact O-CA 3.26Å; T476-V487 WeakPolarHBondContact O-CA 3.49Å; F477-V487 HydrophobicContact CD1-CG2 4.12Å; F477-V487 HydrophobicContact CD2-CB 4.41Å; F477-V487 HydrophobicContact CD2-CG1 3.79Å; F477-V487 HydrophobicContact CD2-CG2 3.89Å; F477-V487 HydrophobicContact CE1-CG2 4.06Å; F477-V487 HydrophobicContact CE2-CB 4.34Å; F477-V487 HydrophobicContact CE2-CG1 3.51Å; F477-V487 HydrophobicContact CE2-CG2 3.83Å; F477-V487 HydrophobicContact CG-CG2 4.03Å; F477-V487 HydrophobicContact CZ-CG1 4.23Å; F477-V487 HydrophobicContact CZ-CG2 3.92Å; L485-V487 HydrophobicContact CD1-CG2 3.91Å; L485-V487 HydrophobicContact CD2-CG2 3.87Å; L485-V487 HydrophobicContact CG-CG2 3.76Å; V487-K499 CarbonylContact O-C 3.53Å; V487-K499 VanDerWaalsContact O-CA 3.23Å; V487-K499 WeakPolarHBondContact O-CA 3.34Å; V487-K499 WeakPolarHBondContact O-CB 3.39Å; V487-I500 HydrophobicContact CB-CG2 3.98Å; V487-I500 PolarHBondContact N-O 3.11Å; V487-I500 PolarHBondContact O-N 2.96Å; V487-I502 HydrophobicContact CG2-CD1 4.34Å; V487-I502 HydrophobicContact CG2-CG1 3.89Å
488	S	93.9	Very high	87.7	Confident	26 Å²	26	45.6 Å²	45.6	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.4	172.6	64.5	0	0	0	0	111.5	V475 T476 N498	V475-S488 CarbonylContact C-O 3.56Å; V475-S488 VanDerWaalsContact CA-O 3.28Å; V475-S488 WeakPolarHBondContact CA-O 3.4Å; T476-S488 PolarHBondContact N-O 3.32Å; T476-S488 PolarHBondContact O-N 3.3Å; S488-N498 CarbonylContact C-O 3.54Å; S488-N498 WeakPolarHBondContact CA-O 3.1Å
489	A	93.9	Very high	87.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.3	171.8	0	0	0	0	0	109.5	I439 F458 L460 I473 E474 V475 Q497 N498	I439-A489 HydrophobicContact CD1-CB 4.33Å; I439-A489 HydrophobicContact CG1-CB 3.92Å; F458-A489 HydrophobicContact CE2-CB 3.75Å; F458-A489 HydrophobicContact CZ-CB 3.89Å; L460-A489 HydrophobicContact CD2-CB 4.19Å; I473-A489 HydrophobicContact CG2-CB 4.08Å; E474-A489 CarbonylContact O-C 3.57Å; E474-A489 VanDerWaalsContact O-CA 3.29Å; E474-A489 WeakPolarHBondContact O-CA 3.45Å; V475-A489 HydrophobicContact CG2-CB 4.2Å; A489-Q497 CarbonylContact O-C 3.6Å; A489-Q497 WeakPolarHBondContact O-CA 3.37Å; A489-N498 PolarHBondContact N-O 2.93Å; A489-N498 PolarHBondContact O-N 2.98Å
490	V	94.3	Very high	87.3	Confident	30 Å²	30	51 Å²	51	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.2	-177.7	-170.4	0	0	0	0	109.7	I473 E474 K492 R496 Q497	I473-V490 CarbonylContact C-O 3.59Å; I473-V490 WeakPolarHBondContact CA-O 3.44Å; E474-V490 PolarHBondContact N-O 3.38Å; E474-V490 PolarHBondContact O-N 3.24Å; V490-K492 PolarHBondContact O-N 3.1Å; V490-R496 CarbonylContact C-O 3.4Å; V490-R496 WeakPolarHBondContact CA-O 3.43Å; V490-Q497 HydrophobicContact CB-CB 4.28Å; V490-Q497 HydrophobicContact CG1-CB 4.23Å; V490-Q497 HydrophobicContact CG2-CB 3.74Å
491	D	93.7	Very high	86.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.8	166.5	169.3	15.1	0	0	0	109.2	L460 I473 S493 T494 G495 R496	L460-D491 HydrophobicContact CD2-CB 4.32Å; I473-D491 HydrophobicContact CD1-CB 3.91Å; D491-S493 VanDerWaalsContact CG-OG 3.26Å; D491-S493 PolarHBondContact O-N 3.44Å; D491-S493 WeakPolarHBondContact OD1-CB 3.48Å; D491-S493 PolarHBondContact OD1-N 3.48Å; D491-S493 PolarHBondContact OD1-OG 3.07Å; D491-S493 PolarHBondContact OD2-OG 3.44Å; D491-S493 VanDerWaalsContact OD2-OG 3.07Å; D491-T494 VanDerWaalsContact CG-OG1 3.32Å; D491-T494 PolarHBondContact O-N 3.17Å; D491-T494 WeakPolarHBondContact OD2-CB 3.36Å; D491-T494 VanDerWaalsContact OD2-CG2 3.26Å; D491-T494 WeakPolarHBondContact OD2-CG2 3.34Å; D491-T494 PolarHBondContact OD2-OG1 3.4Å; D491-G495 WeakPolarHBondContact O-CA 3.27Å; D491-G495 PolarHBondContact O-N 2.52Å; D491-R496 PolarHBondContact N-O 3.44Å
492	K	92.5	Very high	86.3	Confident	102 Å²	102	49.4 Å²	49.4	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	-177.5	-69.2	-161.1	174.9	-166.4	0	113.8	Q472 E474 V490	Q472-K492 HydrophobicContact CB-CB 4.31Å; Q472-K492 HydrophobicContact CB-CG 4.49Å; Q472-K492 PolarHBondContact O-N 2.65Å; E474-K492 HydrophobicContact CB-CG 4.41Å; E474-K492 VanDerWaalsContact CD-CE 3.41Å; E474-K492 WeakPolarHBondContact OE1-CE 3.21Å; E474-K492 IonicContact OE1-NZ 2.96Å; E474-K492 PolarHBondContact OE1-NZ 2.85Å; V490-K492 PolarHBondContact O-N 3.1Å
493	S	86.3	Confident	85.4	Confident	87 Å²	87	48.6 Å²	48.6	61%	0.608	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-39.8	-177.9	69.5	0	0	0	0	112.8	D491	D491-S493 VanDerWaalsContact CG-OG 3.26Å; D491-S493 PolarHBondContact O-N 3.44Å; D491-S493 WeakPolarHBondContact OD1-CB 3.48Å; D491-S493 PolarHBondContact OD1-N 3.48Å; D491-S493 PolarHBondContact OD1-OG 3.07Å; D491-S493 PolarHBondContact OD2-OG 3.44Å; D491-S493 VanDerWaalsContact OD2-OG 3.07Å
494	T	87.6	Confident	84	Confident	60 Å²	60	50.3 Å²	50.3	37%	0.368	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-15.4	-177.3	62.6	0	0	0	0	113.9	P464 D491 R496	P464-T494 HydrophobicContact CG-CG2 3.53Å; D491-T494 VanDerWaalsContact CG-OG1 3.32Å; D491-T494 PolarHBondContact O-N 3.17Å; D491-T494 WeakPolarHBondContact OD2-CB 3.36Å; D491-T494 VanDerWaalsContact OD2-CG2 3.26Å; D491-T494 WeakPolarHBondContact OD2-CG2 3.34Å; D491-T494 PolarHBondContact OD2-OG1 3.4Å; T494-R496 PolarHBondContact O-N 2.84Å; T494-R496 WeakPolarHBondContact OG1-CB 3.16Å; T494-R496 PolarHBondContact OG1-N 2.98Å
495	G	87.1	Confident	82.2	Confident	51 Å²	51	54.4 Å²	54.4	53%	0.526	29%	0.291	S	S	.	.			trans	70	3.2	-171.5	0	0	0	0	0	113.8	D491 Q497	D491-G495 WeakPolarHBondContact O-CA 3.27Å; D491-G495 PolarHBondContact O-N 2.52Å; G495-Q497 PolarHBondContact O-N 3.09Å
496	R	88	Confident	80.3	Confident	139 Å²	139	62.5 Å²	62.5	53%	0.525	33%	0.326	S	S	.	.			trans	-64.7	133	174.9	-76.3	-177.6	170.7	169.7	-4.4	109.2	L460 G462 V490 D491 T494	L460-R496 HydrophobicContact CD1-CB 4.44Å; G462-R496 VanDerWaalsContact CA-NH1 3.3Å; G462-R496 PolarHBondContact O-NH1 2.81Å; V490-R496 CarbonylContact C-O 3.4Å; V490-R496 WeakPolarHBondContact CA-O 3.43Å; D491-R496 PolarHBondContact N-O 3.44Å; T494-R496 PolarHBondContact O-N 2.84Å; T494-R496 WeakPolarHBondContact OG1-CB 3.16Å; T494-R496 PolarHBondContact OG1-N 2.98Å
497	Q	92.2	Very high	78.3	Confident	134 Å²	134	61.4 Å²	61.4	63%	0.626	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.2	178	65	176.9	-14.9	0	0	111.2	A489 V490 G495	A489-Q497 CarbonylContact O-C 3.6Å; A489-Q497 WeakPolarHBondContact O-CA 3.37Å; V490-Q497 HydrophobicContact CB-CB 4.28Å; V490-Q497 HydrophobicContact CG1-CB 4.23Å; V490-Q497 HydrophobicContact CG2-CB 3.74Å; G495-Q497 PolarHBondContact O-N 3.09Å
498	N	90	Very high	76.6	Confident	67 Å²	67	65.6 Å²	65.6	36%	0.358	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.3	163	-159.1	-2.6	0	0	0	108.2	F458 E459 L460 S488 A489	F458-N498 HydrophobicContact CD2-CB 3.89Å; F458-N498 HydrophobicContact CE2-CB 4.08Å; F458-N498 WeakPolarHBondContact CE2-O 3.3Å; E459-N498 PolarHBondContact O-ND2 3.46Å; L460-N498 HydrophobicContact CD1-CB 4.12Å; S488-N498 CarbonylContact C-O 3.54Å; S488-N498 WeakPolarHBondContact CA-O 3.1Å; A489-N498 PolarHBondContact N-O 2.93Å; A489-N498 PolarHBondContact O-N 2.98Å
499	K	87.9	Confident	74.8	Confident	150 Å²	150	64.9 Å²	64.9	65%	0.652	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.1	179.1	65.7	176.5	-178.4	175.5	0	110.6	V487	V487-K499 CarbonylContact O-C 3.53Å; V487-K499 VanDerWaalsContact O-CA 3.23Å; V487-K499 WeakPolarHBondContact O-CA 3.34Å; V487-K499 WeakPolarHBondContact O-CB 3.39Å
500	I	83	Confident	73.4	Confident	21 Å²	21	67 Å²	67	11%	0.108	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.2	169.3	-167.3	162.2	0	0	0	106.6	F458 V487 I502	F458-I500 HydrophobicContact CB-CB 4.38Å; F458-I500 HydrophobicContact CD1-CB 3.72Å; F458-I500 HydrophobicContact CD1-CG2 3.26Å; F458-I500 HydrophobicContact CE1-CB 4.25Å; F458-I500 HydrophobicContact CE1-CG2 3.45Å; F458-I500 VanDerWaalsContact CE1-CG2 3.45Å; F458-I500 HydrophobicContact CG-CB 4.17Å; F458-I500 HydrophobicContact CG-CG2 4.19Å; F458-I500 HydrophobicContact CZ-CG2 4.47Å; V487-I500 HydrophobicContact CB-CG2 3.98Å; V487-I500 PolarHBondContact N-O 3.11Å; V487-I500 PolarHBondContact O-N 2.96Å; I500-I502 HydrophobicContact CD1-CD1 4.48Å; I500-I502 HydrophobicContact CG1-CD1 4.38Å; I500-I502 HydrophobicContact CG2-CD1 3.56Å; I500-I502 HydrophobicContact CG2-CG1 4.29Å
501	T	77	Confident	72.2	Confident	54 Å²	54	72.7 Å²	72.7	33%	0.331	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.8	153.7	-61.4	0	0	0	0	104.4	I484 N486 T503	I484-T501 HydrophobicContact CG2-CG2 3.99Å; N486-T501 WeakPolarHBondContact OD1-CB 3.35Å; N486-T501 VanDerWaalsContact OD1-CG2 3.24Å; N486-T501 WeakPolarHBondContact OD1-CG2 3.18Å; N486-T501 PolarHBondContact OD1-OG1 3.36Å; T501-T503 HydrophobicContact CG2-CG2 3.87Å; T501-T503 PolarHBondContact O-N 3.37Å; T501-T503 PolarHBondContact O-OG1 2.92Å
502	I	68.4	Low	71.1	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.015	40%	0.402	C	S	.	.			trans	-72.8	62.9	174.1	-57.4	-67	0	0	0	107.8	D151 V441 L455 L485 V487 I500	D151-I502 HydrophobicContact CB-CG2 4.38Å; V441-I502 HydrophobicContact CB-CD1 3.82Å; V441-I502 HydrophobicContact CG1-CD1 3.86Å; V441-I502 HydrophobicContact CG1-CG1 4.14Å; V441-I502 HydrophobicContact CG2-CD1 3.95Å; L455-I502 HydrophobicContact CB-CG2 3.58Å; L455-I502 HydrophobicContact CD1-CG2 4.09Å; L455-I502 HydrophobicContact CG-CG2 4.37Å; L485-I502 HydrophobicContact CB-CB 4.1Å; L485-I502 HydrophobicContact CB-CG1 4.31Å; L485-I502 HydrophobicContact CD2-CB 4.28Å; L485-I502 HydrophobicContact CD2-CG1 3.77Å; L485-I502 HydrophobicContact CG-CB 4.2Å; L485-I502 HydrophobicContact CG-CG1 3.84Å; L485-I502 WeakPolarHBondContact O-CB 3.16Å; L485-I502 PolarHBondContact O-N 3.27Å; V487-I502 HydrophobicContact CG2-CD1 4.34Å; V487-I502 HydrophobicContact CG2-CG1 3.89Å; I500-I502 HydrophobicContact CD1-CD1 4.48Å; I500-I502 HydrophobicContact CG1-CD1 4.38Å; I500-I502 HydrophobicContact CG2-CD1 3.56Å; I500-I502 HydrophobicContact CG2-CG1 4.29Å
503	T	55.7	Low	70.2	Confident	13 Å²	13	75.8 Å²	75.8	8%	0.08	39%	0.391	C	S	.	.			trans	-80.6	127	147	48.4	0	0	0	0	103.6	Q155 T501 D505	Q155-T503 HydrophobicContact CG-CG2 4.23Å; T501-T503 HydrophobicContact CG2-CG2 3.87Å; T501-T503 PolarHBondContact O-N 3.37Å; T501-T503 PolarHBondContact O-OG1 2.92Å; T503-D505 PolarHBondContact O-N 3.17Å; T503-D505 PolarHBondContact OG1-OD1 2.98Å
504	N	48	Very low	69.3	Low	47 Å²	47	72.2 Å²	72.2	25%	0.251	37%	0.365	S	S	.	.			trans	-67.3	80.5	179.6	-142.4	-11.1	0	0	0	108.1	S152 L455 K506 G507 R508	S152-N504 WeakPolarHBondContact CB-ND2 3.33Å; S152-N504 PolarHBondContact OG-ND2 3.37Å; L455-N504 PolarHBondContact O-OD1 3.08Å; L455-N504 VanDerWaalsContact O-OD1 3.13Å; N504-K506 PolarHBondContact O-N 3.35Å; N504-G507 PolarHBondContact O-N 2.88Å; N504-R508 PolarHBondContact O-N 2.88Å
505	D	42.3	Very low	68.6	Low	106 Å²	106	73 Å²	73	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.7	-167.6	-81	-10.4	0	0	0	111.7	T503 G507	T503-D505 PolarHBondContact O-N 3.17Å; T503-D505 PolarHBondContact OG1-OD1 2.98Å; D505-G507 PolarHBondContact O-N 2.8Å
506	K	44.4	Very low	68.4	Low	169 Å²	169	75.2 Å²	75.2	74%	0.735	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	2.3	176.4	-66.7	-167	175.9	-168.3	0	114.7	N504	N504-K506 PolarHBondContact O-N 3.35Å
507	G	45.7	Very low	67.9	Low	29 Å²	29	68.9 Å²	68.9	30%	0.299	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-21.7	179.8	0	0	0	0	0	113.6	K99 N504 D505	K99-G507 WeakPolarHBondContact CD-O 3.29Å; K99-G507 VanDerWaalsContact CE-C 3.49Å; K99-G507 WeakPolarHBondContact CE-O 3.31Å; K99-G507 VanDerWaalsContact NZ-C 3.27Å; K99-G507 PolarHBondContact NZ-O 2.88Å; N504-G507 PolarHBondContact O-N 2.88Å; D505-G507 PolarHBondContact O-N 2.8Å
508	R	56.6	Low	67	Low	88 Å²	88	64.2 Å²	64.2	33%	0.332	32%	0.317	S	S	.	.	S	Bend	trans	-69.5	151	-173	-155.2	-174.2	168.5	179.5	-6.7	113.1	K99 D159 N504	K99-R508 PolarHBondContact NZ-O 3.34Å; D159-R508 IonicContact OD1-NE 2.84Å; D159-R508 IonicContact OD1-NH2 3.11Å; D159-R508 IonicContact OD2-NE 2.87Å; D159-R508 PolarHBondContact OD2-NE 2.87Å; N504-R508 PolarHBondContact O-N 2.88Å
509	L	56.6	Low	66.5	Low	12 Å²	12	69 Å²	69	6%	0.063	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63.7	128.9	159.9	-63.3	169.8	0	0	0	107.9	T114 E116 I163 D513 I514 M517	T114-L509 HydrophobicContact CG2-CD2 4.3Å; E116-L509 HydrophobicContact CB-CD1 4.17Å; E116-L509 HydrophobicContact CG-CD1 4.41Å; I163-L509 HydrophobicContact CD1-CD1 3.9Å; L509-D513 HydrophobicContact CB-CB 3.93Å; L509-D513 HydrophobicContact CD2-CB 4.08Å; L509-I514 HydrophobicContact CB-CD1 4.36Å; L509-I514 HydrophobicContact CB-CG1 3.68Å; L509-I514 HydrophobicContact CD1-CG1 4.4Å; L509-M517 HydrophobicContact CD1-CE 4.22Å; L509-M517 HydrophobicContact CD1-SD 3.43Å; L509-M517 WeakPolarHBondContact CD1-SD 3.32Å; L509-M517 HydrophobicContact CD2-CE 3.33Å; L509-M517 HydrophobicContact CD2-SD 3.68Å; L509-M517 HydrophobicContact CG-CE 4.38Å; L509-M517 HydrophobicContact CG-SD 4.13Å
510	S	64	Low	66	Low	44 Å²	44	65 Å²	65	31%	0.308	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-60.6	162.1	171.7	68.8	0	0	0	0	109.8	E512 D513 I514	S510-E512 WeakPolarHBondContact CB-OE2 3.47Å; S510-E512 PolarHBondContact O-N 3.08Å; S510-E512 PolarHBondContact OG-N 2.81Å; S510-E512 PolarHBondContact OG-OE2 2.83Å; S510-D513 PolarHBondContact N-OD2 3.25Å; S510-D513 VanDerWaalsContact N-OD2 3.15Å; S510-D513 WeakPolarHBondContact O-CA 3.19Å; S510-D513 WeakPolarHBondContact O-CB 3.41Å; S510-D513 PolarHBondContact O-N 2.91Å; S510-D513 WeakPolarHBondContact OG-CB 3.32Å; S510-D513 PolarHBondContact OG-N 2.84Å; S510-D513 PolarHBondContact OG-OD2 2.82Å; S510-I514 WeakPolarHBondContact O-CG1 3.23Å; S510-I514 PolarHBondContact O-N 3.22Å
511	K	68.6	Low	65.4	Low	149 Å²	149	65.2 Å²	65.2	65%	0.648	32%	0.318	S	S	*	.	H	α-helix	trans	-57.7	-36.6	173.9	-173	179.3	176.2	-174.7	0	110.4	I514 D515	K511-I514 PolarHBondContact O-N 2.8Å; K511-D515 WeakPolarHBondContact O-CB 3.28Å; K511-D515 PolarHBondContact O-N 3.3Å
512	E	71.9	Confident	65.3	Low	130 Å²	130	66.1 Å²	66.1	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-65.2	-38	174.7	-60.3	72.4	-156.8	0	0	112.3	S510 R516	S510-E512 WeakPolarHBondContact CB-OE2 3.47Å; S510-E512 PolarHBondContact O-N 3.08Å; S510-E512 PolarHBondContact OG-N 2.81Å; S510-E512 PolarHBondContact OG-OE2 2.83Å; E512-R516 VanDerWaalsContact O-CB 3.26Å; E512-R516 WeakPolarHBondContact O-CB 3.48Å; E512-R516 PolarHBondContact O-N 2.92Å
513	D	72.4	Confident	65.7	Low	39 Å²	39	69 Å²	69	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-44.9	173.3	-71.4	-36.9	0	0	0	111	L509 S510 R516 M517	L509-D513 HydrophobicContact CB-CB 3.93Å; L509-D513 HydrophobicContact CD2-CB 4.08Å; S510-D513 PolarHBondContact N-OD2 3.25Å; S510-D513 VanDerWaalsContact N-OD2 3.15Å; S510-D513 WeakPolarHBondContact O-CA 3.19Å; S510-D513 WeakPolarHBondContact O-CB 3.41Å; S510-D513 PolarHBondContact O-N 2.91Å; S510-D513 WeakPolarHBondContact OG-CB 3.32Å; S510-D513 PolarHBondContact OG-N 2.84Å; S510-D513 PolarHBondContact OG-OD2 2.82Å; D513-R516 PolarHBondContact O-N 3.49Å; D513-R516 IonicContact OD1-CZ 2.74Å; D513-R516 IonicContact OD1-NH1 2.73Å; D513-R516 PolarHBondContact OD1-NH1 2.8Å; D513-R516 IonicContact OD1-NH2 3.54Å; D513-R516 PolarHBondContact OD1-NH2 3.05Å; D513-M517 WeakPolarHBondContact O-CB 3.08Å; D513-M517 WeakPolarHBondContact O-CG 3.36Å; D513-M517 PolarHBondContact O-N 3.06Å
514	I	67	Low	66.7	Low	12 Å²	12	69.7 Å²	69.7	6%	0.062	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-49.4	176.1	-64.9	171.5	0	0	0	109.5	D159 T162 L509 S510 K511 R516 M517 V518	D159-I514 HydrophobicContact CB-CD1 4.41Å; T162-I514 HydrophobicContact CG2-CG2 4Å; L509-I514 HydrophobicContact CB-CD1 4.36Å; L509-I514 HydrophobicContact CB-CG1 3.68Å; L509-I514 HydrophobicContact CD1-CG1 4.4Å; S510-I514 WeakPolarHBondContact O-CG1 3.23Å; S510-I514 PolarHBondContact O-N 3.22Å; K511-I514 PolarHBondContact O-N 2.8Å; I514-R516 VanDerWaalsContact C-N 3.26Å; I514-R516 PolarHBondContact O-N 3.17Å; I514-M517 CarbonylContact O-C 3.5Å; I514-M517 PolarHBondContact O-N 3.3Å; I514-M517 VanDerWaalsContact O-N 3.13Å; I514-V518 HydrophobicContact CG2-CG2 4.2Å; I514-V518 WeakPolarHBondContact O-CB 3.26Å; I514-V518 VanDerWaalsContact O-CG2 3.24Å; I514-V518 WeakPolarHBondContact O-CG2 3.44Å; I514-V518 PolarHBondContact O-N 3.3Å
515	D	74	Confident	67.9	Low	76 Å²	76	73.6 Å²	73.6	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-31.9	179.2	-70.6	-17.9	0	0	0	111.8	K511 R519	K511-D515 WeakPolarHBondContact O-CB 3.28Å; K511-D515 PolarHBondContact O-N 3.3Å; D515-R519 WeakPolarHBondContact O-CG 3.29Å; D515-R519 PolarHBondContact O-N 3.5Å; D515-R519 PolarHBondContact O-NE 2.98Å
516	R	82.3	Confident	69.6	Low	98 Å²	98	71.2 Å²	71.2	37%	0.37	35%	0.349	S	S	.	.	H	α-helix	trans	-68.7	-47.6	170.9	-177	-175.8	67.2	-117.6	-8.9	110.8	E512 D513 I514 V518 R519 E520	E512-R516 VanDerWaalsContact O-CB 3.26Å; E512-R516 WeakPolarHBondContact O-CB 3.48Å; E512-R516 PolarHBondContact O-N 2.92Å; D513-R516 PolarHBondContact O-N 3.49Å; D513-R516 IonicContact OD1-CZ 2.74Å; D513-R516 IonicContact OD1-NH1 2.73Å; D513-R516 PolarHBondContact OD1-NH1 2.8Å; D513-R516 IonicContact OD1-NH2 3.54Å; D513-R516 PolarHBondContact OD1-NH2 3.05Å; I514-R516 VanDerWaalsContact C-N 3.26Å; I514-R516 PolarHBondContact O-N 3.17Å; R516-V518 PolarHBondContact O-N 3.34Å; R516-R519 CarbonylContact O-C 3.58Å; R516-R519 WeakPolarHBondContact O-CB 3.38Å; R516-R519 PolarHBondContact O-N 3.35Å; R516-R519 VanDerWaalsContact O-N 3.15Å; R516-E520 WeakPolarHBondContact CD-OE1 3.48Å; R516-E520 HydrophobicContact CG-CG 4.42Å; R516-E520 WeakPolarHBondContact CG-OE1 3.12Å; R516-E520 IonicContact NE-OE1 3.95Å; R516-E520 WeakPolarHBondContact O-CG 3.26Å; R516-E520 PolarHBondContact O-N 2.7Å
517	M	77.7	Confident	71.1	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-35.1	-178.9	-73.5	174.4	178.2	0	0	112.7	T114 E117 I163 L509 D513 I514 R519 E520 A521	T114-M517 HydrophobicContact CG2-CE 3.94Å; E117-M517 HydrophobicContact CG-CB 4.48Å; E117-M517 HydrophobicContact CG-CE 4.13Å; E117-M517 HydrophobicContact CG-CG 4.02Å; E117-M517 HydrophobicContact CG-SD 3.69Å; E117-M517 WeakPolarHBondContact OE2-CE 3.44Å; I163-M517 HydrophobicContact CD1-CB 4.12Å; I163-M517 HydrophobicContact CD1-SD 3.93Å; I163-M517 HydrophobicContact CG1-CB 4.04Å; I163-M517 HydrophobicContact CG2-CB 4.22Å; L509-M517 HydrophobicContact CD1-CE 4.22Å; L509-M517 HydrophobicContact CD1-SD 3.43Å; L509-M517 WeakPolarHBondContact CD1-SD 3.32Å; L509-M517 HydrophobicContact CD2-CE 3.33Å; L509-M517 HydrophobicContact CD2-SD 3.68Å; L509-M517 HydrophobicContact CG-CE 4.38Å; L509-M517 HydrophobicContact CG-SD 4.13Å; D513-M517 WeakPolarHBondContact O-CB 3.08Å; D513-M517 WeakPolarHBondContact O-CG 3.36Å; D513-M517 PolarHBondContact O-N 3.06Å; I514-M517 CarbonylContact O-C 3.5Å; I514-M517 PolarHBondContact O-N 3.3Å; I514-M517 VanDerWaalsContact O-N 3.13Å; M517-R519 VanDerWaalsContact C-N 3.34Å; M517-E520 PolarHBondContact O-N 3.02Å; M517-A521 VanDerWaalsContact O-CB 3.24Å; M517-A521 WeakPolarHBondContact O-CB 3.16Å; M517-A521 PolarHBondContact O-N 3.05Å
518	V	73.9	Confident	72.5	Confident	36 Å²	36	66.9 Å²	66.9	22%	0.218	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-45.2	170.8	170.4	0	0	0	0	109.8	I514 R516 A521 D522	I514-V518 HydrophobicContact CG2-CG2 4.2Å; I514-V518 WeakPolarHBondContact O-CB 3.26Å; I514-V518 VanDerWaalsContact O-CG2 3.24Å; I514-V518 WeakPolarHBondContact O-CG2 3.44Å; I514-V518 PolarHBondContact O-N 3.3Å; R516-V518 PolarHBondContact O-N 3.34Å; V518-A521 PolarHBondContact O-N 3.36Å; V518-D522 PolarHBondContact O-N 3.1Å
519	R	78.4	Confident	73.5	Confident	168 Å²	168	67.2 Å²	67.2	63%	0.634	33%	0.331	S	S	*	.	H	α-helix	trans	-63.9	-40.4	175.2	-77	178.8	-79.2	165.5	-7.3	112.5	D515 R516 M517 D522 S523	D515-R519 WeakPolarHBondContact O-CG 3.29Å; D515-R519 PolarHBondContact O-N 3.5Å; D515-R519 PolarHBondContact O-NE 2.98Å; R516-R519 CarbonylContact O-C 3.58Å; R516-R519 WeakPolarHBondContact O-CB 3.38Å; R516-R519 PolarHBondContact O-N 3.35Å; R516-R519 VanDerWaalsContact O-N 3.15Å; M517-R519 VanDerWaalsContact C-N 3.34Å; R519-D522 PolarHBondContact O-N 3.32Å; R519-S523 WeakPolarHBondContact O-CB 3.38Å; R519-S523 PolarHBondContact O-N 2.85Å
520	E	77.8	Confident	74.6	Confident	64 Å²	64	72.1 Å²	72.1	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-43.1	175.7	-73.6	172.4	-172	0	0	111.1	R516 M517 D522 S523 Y524	R516-E520 WeakPolarHBondContact CD-OE1 3.48Å; R516-E520 HydrophobicContact CG-CG 4.42Å; R516-E520 WeakPolarHBondContact CG-OE1 3.12Å; R516-E520 IonicContact NE-OE1 3.95Å; R516-E520 WeakPolarHBondContact O-CG 3.26Å; R516-E520 PolarHBondContact O-N 2.7Å; M517-E520 PolarHBondContact O-N 3.02Å; E520-D522 VanDerWaalsContact C-N 3.34Å; E520-D522 PolarHBondContact O-N 3.42Å; E520-S523 WeakPolarHBondContact O-CB 3.38Å; E520-S523 PolarHBondContact O-N 3.22Å; E520-Y524 HydrophobicContact CB-CD2 4.43Å; E520-Y524 HydrophobicContact CB-CE2 4.2Å; E520-Y524 WeakPolarHBondContact O-CB 3.3Å; E520-Y524 WeakPolarHBondContact O-CD2 3.32Å; E520-Y524 PolarHBondContact O-N 3.22Å
521	A	71.5	Confident	75.3	Confident	26 Å²	26	71.5 Å²	71.5	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-41.4	174.5	0	0	0	0	0	111.9	I163 M517 V518 Y524 R525	I163-A521 HydrophobicContact CG2-CB 4.08Å; M517-A521 VanDerWaalsContact O-CB 3.24Å; M517-A521 WeakPolarHBondContact O-CB 3.16Å; M517-A521 PolarHBondContact O-N 3.05Å; V518-A521 PolarHBondContact O-N 3.36Å; A521-Y524 PolarHBondContact O-N 3.28Å; A521-R525 WeakPolarHBondContact O-CB 3.31Å; A521-R525 PolarHBondContact O-N 3.01Å
522	D	73.5	Confident	75.6	Confident	73 Å²	73	71.1 Å²	71.1	39%	0.39	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-42.3	173.2	-84	-31.9	0	0	0	112.5	V518 R519 E520 Y524 R525 A526	V518-D522 PolarHBondContact O-N 3.1Å; R519-D522 PolarHBondContact O-N 3.32Å; E520-D522 VanDerWaalsContact C-N 3.34Å; E520-D522 PolarHBondContact O-N 3.42Å; D522-Y524 VanDerWaalsContact C-N 3.33Å; D522-R525 PolarHBondContact O-N 3.02Å; D522-R525 IonicContact OD1-CZ 3.89Å; D522-R525 IonicContact OD1-NE 2.95Å; D522-R525 IonicContact OD1-NH2 2.74Å; D522-R525 PolarHBondContact OD1-NH2 3.32Å; D522-A526 PolarHBondContact O-N 3.04Å
523	S	76.6	Confident	76.1	Confident	63 Å²	63	67.1 Å²	67.1	44%	0.441	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.3	-173.4	0	0	0	0	111.3	R519 E520 A526 E527	R519-S523 WeakPolarHBondContact O-CB 3.38Å; R519-S523 PolarHBondContact O-N 2.85Å; E520-S523 WeakPolarHBondContact O-CB 3.38Å; E520-S523 PolarHBondContact O-N 3.22Å; S523-A526 PolarHBondContact O-N 3.43Å; S523-E527 WeakPolarHBondContact O-CG 3.36Å; S523-E527 PolarHBondContact O-N 2.87Å
524	Y	77.9	Confident	76.8	Confident	29 Å²	29	66.3 Å²	66.3	11%	0.114	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-43.1	178.4	-80.3	-24.8	0	0	0	112.2	R48 K111 F113 E520 A521 D522 A526 E527 D528	R48-Y524 VanDerWaalsContact CZ-CB 3.45Å; R48-Y524 PolarHBondContact NH2-O 3.24Å; K111-Y524 PolarHBondContact NZ-OH 3.02Å; F113-Y524 AromaticContact CE1-CE2 3.89Å; F113-Y524 HydrophobicContact CE1-CE2 3.89Å; F113-Y524 HydrophobicContact CZ-CE2 4.48Å; E520-Y524 HydrophobicContact CB-CD2 4.43Å; E520-Y524 HydrophobicContact CB-CE2 4.2Å; E520-Y524 WeakPolarHBondContact O-CB 3.3Å; E520-Y524 WeakPolarHBondContact O-CD2 3.32Å; E520-Y524 PolarHBondContact O-N 3.22Å; A521-Y524 PolarHBondContact O-N 3.28Å; D522-Y524 VanDerWaalsContact C-N 3.33Å; Y524-A526 VanDerWaalsContact C-N 3.34Å; Y524-A526 PolarHBondContact O-N 3.15Å; Y524-E527 WeakPolarHBondContact O-CB 3.24Å; Y524-E527 PolarHBondContact O-N 3.26Å; Y524-D528 PolarHBondContact O-N 2.94Å
525	R	73.1	Confident	77.3	Confident	128 Å²	128	68.3 Å²	68.3	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-43.3	171.8	-179.6	174.8	59.3	121.4	-0.6	112	A521 D522 E527 D528 E529	A521-R525 WeakPolarHBondContact O-CB 3.31Å; A521-R525 PolarHBondContact O-N 3.01Å; D522-R525 PolarHBondContact O-N 3.02Å; D522-R525 IonicContact OD1-CZ 3.89Å; D522-R525 IonicContact OD1-NE 2.95Å; D522-R525 IonicContact OD1-NH2 2.74Å; D522-R525 PolarHBondContact OD1-NH2 3.32Å; R525-E527 VanDerWaalsContact C-N 3.34Å; R525-E527 PolarHBondContact O-N 3.05Å; R525-D528 PolarHBondContact O-N 3.22Å; R525-E529 WeakPolarHBondContact O-CB 3.3Å; R525-E529 PolarHBondContact O-N 3.46Å
526	A	77.3	Confident	77.6	Confident	57 Å²	57	70.7 Å²	70.7	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-36.1	176.4	0	0	0	0	0	112.5	D522 S523 Y524 E529 K530	D522-A526 PolarHBondContact O-N 3.04Å; S523-A526 PolarHBondContact O-N 3.43Å; Y524-A526 VanDerWaalsContact C-N 3.34Å; Y524-A526 PolarHBondContact O-N 3.15Å; A526-E529 PolarHBondContact O-N 2.72Å; A526-K530 WeakPolarHBondContact O-CB 3.28Å; A526-K530 PolarHBondContact O-N 2.77Å
527	E	76.4	Confident	77.7	Confident	57 Å²	57	66.7 Å²	66.7	27%	0.266	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-44.4	172.1	-75.3	175.8	-146.4	0	0	112.1	K107 S523 Y524 R525 E529 K530 Q531	K107-E527 IonicContact NZ-OE2 2.78Å; K107-E527 PolarHBondContact NZ-OE2 2.8Å; S523-E527 WeakPolarHBondContact O-CG 3.36Å; S523-E527 PolarHBondContact O-N 2.87Å; Y524-E527 WeakPolarHBondContact O-CB 3.24Å; Y524-E527 PolarHBondContact O-N 3.26Å; R525-E527 VanDerWaalsContact C-N 3.34Å; R525-E527 PolarHBondContact O-N 3.05Å; E527-E529 VanDerWaalsContact C-N 3.31Å; E527-E529 PolarHBondContact O-N 2.87Å; E527-K530 PolarHBondContact O-N 2.81Å; E527-Q531 WeakPolarHBondContact O-CB 3.47Å; E527-Q531 PolarHBondContact O-N 3.06Å
528	D	74.6	Confident	78.2	Confident	49 Å²	49	68.1 Å²	68.1	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-39.2	178.2	-67.3	-15.4	0	0	0	110.7	R48 Y524 R525 Q531 R532	R48-D528 IonicContact CZ-OD1 2.66Å; R48-D528 IonicContact CZ-OD2 3.16Å; R48-D528 IonicContact NE-OD2 3.78Å; R48-D528 IonicContact NH2-OD1 3.7Å; R48-D528 PolarHBondContact NH2-OD1 2.89Å; R48-D528 IonicContact NH2-OD2 2.75Å; R48-D528 PolarHBondContact NH2-OD2 3.24Å; Y524-D528 PolarHBondContact O-N 2.94Å; R525-D528 PolarHBondContact O-N 3.22Å; D528-Q531 PolarHBondContact O-N 3.22Å; D528-R532 WeakPolarHBondContact O-CB 3.42Å; D528-R532 PolarHBondContact O-N 3.15Å
529	E	77.3	Confident	78.7	Confident	96 Å²	96	70 Å²	70	45%	0.449	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-43.7	173.9	-179.1	156.3	-131	0	0	112.2	R525 A526 E527 Q531 R532 D533	R525-E529 WeakPolarHBondContact O-CB 3.3Å; R525-E529 PolarHBondContact O-N 3.46Å; A526-E529 PolarHBondContact O-N 2.72Å; E527-E529 VanDerWaalsContact C-N 3.31Å; E527-E529 PolarHBondContact O-N 2.87Å; E529-Q531 VanDerWaalsContact C-N 3.3Å; E529-Q531 PolarHBondContact O-N 3.23Å; E529-R532 WeakPolarHBondContact O-CB 3.3Å; E529-R532 PolarHBondContact O-N 3.13Å; E529-R532 IonicContact OE1-CZ 2.8Å; E529-R532 IonicContact OE1-NH2 2.71Å; E529-R532 PolarHBondContact OE1-NH2 2.84Å; E529-D533 WeakPolarHBondContact O-CB 3.44Å; E529-D533 PolarHBondContact O-N 3.22Å
530	K	81.1	Confident	79.2	Confident	115 Å²	115	64.4 Å²	64.4	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-40.8	173.9	-172.4	-175.3	176.4	-163.3	0	111.4	A526 E527 D533 R534 E587	A526-K530 WeakPolarHBondContact O-CB 3.28Å; A526-K530 PolarHBondContact O-N 2.77Å; E527-K530 PolarHBondContact O-N 2.81Å; K530-D533 PolarHBondContact O-N 3.01Å; K530-R534 WeakPolarHBondContact O-CB 3.13Å; K530-R534 PolarHBondContact O-N 3.36Å; K530-E587 IonicContact NZ-OE2 3.19Å
531	Q	77	Confident	79.8	Confident	31 Å²	31	61.4 Å²	61.4	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-42.2	177.6	-175.7	69.9	-10.1	0	0	111.5	E47 E527 D528 E529 R534 I535	E47-Q531 HydrophobicContact CB-CG 4.32Å; E527-Q531 WeakPolarHBondContact O-CB 3.47Å; E527-Q531 PolarHBondContact O-N 3.06Å; D528-Q531 PolarHBondContact O-N 3.22Å; E529-Q531 VanDerWaalsContact C-N 3.3Å; E529-Q531 PolarHBondContact O-N 3.23Å; Q531-R534 WeakPolarHBondContact O-CB 3.3Å; Q531-R534 PolarHBondContact O-N 2.79Å; Q531-I535 HydrophobicContact CG-CD1 4.17Å; Q531-I535 WeakPolarHBondContact O-CG1 3.45Å; Q531-I535 PolarHBondContact O-N 3.44Å
532	R	76.1	Confident	80.6	Confident	141 Å²	141	63.2 Å²	63.2	53%	0.532	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-47.9	173.9	-175	-174.4	68.8	-165.5	-3.6	111	D528 E529 R534 I535 Q536	D528-R532 WeakPolarHBondContact O-CB 3.42Å; D528-R532 PolarHBondContact O-N 3.15Å; E529-R532 WeakPolarHBondContact O-CB 3.3Å; E529-R532 PolarHBondContact O-N 3.13Å; E529-R532 IonicContact OE1-CZ 2.8Å; E529-R532 IonicContact OE1-NH2 2.71Å; E529-R532 PolarHBondContact OE1-NH2 2.84Å; R532-R534 PolarHBondContact O-N 3.38Å; R532-I535 PolarHBondContact O-N 3.44Å; R532-Q536 WeakPolarHBondContact O-CB 3.38Å; R532-Q536 PolarHBondContact O-N 3.22Å
533	D	82.8	Confident	81.4	Confident	45 Å²	45	62.8 Å²	62.8	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-43.7	176	-84.8	21.1	0	0	0	112.1	E529 K530 Q536 S537 K588	E529-D533 WeakPolarHBondContact O-CB 3.44Å; E529-D533 PolarHBondContact O-N 3.22Å; K530-D533 PolarHBondContact O-N 3.01Å; D533-Q536 WeakPolarHBondContact O-CB 3.43Å; D533-Q536 PolarHBondContact O-N 3.35Å; D533-S537 PolarHBondContact O-N 3.31Å; D533-S537 PolarHBondContact O-OG 3.04Å; D533-K588 HydrophobicContact CB-CD 4.21Å; D533-K588 IonicContact OD2-NZ 2.88Å; D533-K588 PolarHBondContact OD2-NZ 2.77Å
534	R	85.5	Confident	82	Confident	22 Å²	22	61.8 Å²	61.8	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-46.7	176.7	-174.1	-173.9	77	82	6.5	111.5	K530 Q531 R532 Q536 S537 K538 Q584 A586 K588 F591	K530-R534 WeakPolarHBondContact O-CB 3.13Å; K530-R534 PolarHBondContact O-N 3.36Å; Q531-R534 WeakPolarHBondContact O-CB 3.3Å; Q531-R534 PolarHBondContact O-N 2.79Å; R532-R534 PolarHBondContact O-N 3.38Å; R534-Q536 VanDerWaalsContact C-N 3.32Å; R534-S537 PolarHBondContact O-N 3.43Å; R534-K538 PolarHBondContact O-N 3.09Å; R534-Q584 PolarHBondContact NH1-O 2.93Å; R534-A586 VanDerWaalsContact CD-O 3.32Å; R534-A586 WeakPolarHBondContact CD-O 3.48Å; R534-A586 PolarHBondContact NH1-O 3.24Å; R534-K588 HydrophobicContact CB-CB 4.4Å; R534-K588 HydrophobicContact CG-CB 4.49Å; R534-F591 HydrophobicContact CG-CD2 4.22Å; R534-F591 HydrophobicContact CG-CE2 4Å
535	I	78.7	Confident	82.5	Confident	55 Å²	55	60.4 Å²	60.4	28%	0.282	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-39.2	176.8	-67.5	168.6	0	0	0	110.4	Q531 R532 K538 N539	Q531-I535 HydrophobicContact CG-CD1 4.17Å; Q531-I535 WeakPolarHBondContact O-CG1 3.45Å; Q531-I535 PolarHBondContact O-N 3.44Å; R532-I535 PolarHBondContact O-N 3.44Å; I535-K538 WeakPolarHBondContact O-CB 3.43Å; I535-K538 PolarHBondContact O-N 3.47Å; I535-N539 WeakPolarHBondContact O-CB 3.35Å; I535-N539 PolarHBondContact O-N 3.07Å; I535-N539 PolarHBondContact O-OD1 3.16Å
536	Q	80.9	Confident	83.3	Confident	125 Å²	125	58.9 Å²	58.9	58%	0.584	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-44.8	175.8	-174.4	177.7	-0.5	0	0	112	R532 D533 R534 N539 S540	R532-Q536 WeakPolarHBondContact O-CB 3.38Å; R532-Q536 PolarHBondContact O-N 3.22Å; D533-Q536 WeakPolarHBondContact O-CB 3.43Å; D533-Q536 PolarHBondContact O-N 3.35Å; R534-Q536 VanDerWaalsContact C-N 3.32Å; Q536-N539 PolarHBondContact O-N 3.49Å; Q536-S540 VanDerWaalsContact O-CB 3.32Å; Q536-S540 WeakPolarHBondContact O-CB 3.35Å; Q536-S540 PolarHBondContact O-N 3.41Å
537	S	84.4	Confident	83.7	Confident	15 Å²	15	60.7 Å²	60.7	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175.1	-64.8	0	0	0	0	111.9	D533 R534 S540 L541	D533-S537 PolarHBondContact O-N 3.31Å; D533-S537 PolarHBondContact O-OG 3.04Å; R534-S537 PolarHBondContact O-N 3.43Å; S537-S540 WeakPolarHBondContact O-CB 3.43Å; S537-S540 PolarHBondContact O-N 3.15Å; S537-L541 PolarHBondContact O-N 2.83Å
538	K	86.6	Confident	84.1	Confident	36 Å²	36	59 Å²	59	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-52.2	172.1	-177.9	-172.1	172.6	-172.5	0	111.4	R534 I535 S540 L541 E542 L580 F591	R534-K538 PolarHBondContact O-N 3.09Å; I535-K538 WeakPolarHBondContact O-CB 3.43Å; I535-K538 PolarHBondContact O-N 3.47Å; K538-S540 VanDerWaalsContact C-N 3.27Å; K538-S540 PolarHBondContact O-N 3.41Å; K538-L541 PolarHBondContact O-N 3.23Å; K538-E542 WeakPolarHBondContact O-CB 3.43Å; K538-E542 PolarHBondContact O-N 3.08Å; K538-L580 HydrophobicContact CG-CD2 3.74Å; K538-F591 HydrophobicContact CB-CD1 4.18Å; K538-F591 HydrophobicContact CB-CD2 3.92Å; K538-F591 HydrophobicContact CB-CE1 4.08Å; K538-F591 HydrophobicContact CB-CE2 3.77Å; K538-F591 HydrophobicContact CB-CG 4.13Å; K538-F591 HydrophobicContact CB-CZ 3.87Å; K538-F591 HydrophobicContact CD-CE1 4.41Å; K538-F591 HydrophobicContact CD-CZ 4.01Å; K538-F591 HydrophobicContact CG-CD1 4.27Å; K538-F591 HydrophobicContact CG-CE1 3.83Å; K538-F591 HydrophobicContact CG-CE2 4.25Å; K538-F591 HydrophobicContact CG-CZ 3.81Å
539	N	86	Confident	84.5	Confident	74 Å²	74	59 Å²	59	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-34.1	-179.1	-68	-8.4	0	0	0	111.6	I535 Q536 S543	I535-N539 WeakPolarHBondContact O-CB 3.35Å; I535-N539 PolarHBondContact O-N 3.07Å; I535-N539 PolarHBondContact O-OD1 3.16Å; Q536-N539 PolarHBondContact O-N 3.49Å; N539-S543 WeakPolarHBondContact O-CB 3.36Å; N539-S543 PolarHBondContact O-N 3.22Å; N539-S543 PolarHBondContact O-OG 2.9Å
540	S	87.3	Confident	84.8	Confident	52 Å²	52	58 Å²	58	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-49.7	173.5	176.3	0	0	0	0	111.3	Q536 S537 K538 S543 Y544 Q595	Q536-S540 VanDerWaalsContact O-CB 3.32Å; Q536-S540 WeakPolarHBondContact O-CB 3.35Å; Q536-S540 PolarHBondContact O-N 3.41Å; S537-S540 WeakPolarHBondContact O-CB 3.43Å; S537-S540 PolarHBondContact O-N 3.15Å; K538-S540 VanDerWaalsContact C-N 3.27Å; K538-S540 PolarHBondContact O-N 3.41Å; S540-S543 PolarHBondContact O-N 2.88Å; S540-Y544 VanDerWaalsContact O-CB 3.32Å; S540-Y544 WeakPolarHBondContact O-CB 3.27Å; S540-Y544 PolarHBondContact O-N 3.3Å; S540-Q595 PolarHBondContact OG-OE1 2.8Å
541	L	91.3	Very high	84.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-48.9	175.5	175.2	59.6	0	0	0	111.6	S537 K538 Y544 A545 I576 W579 L580 F591 K594 Q595	S537-L541 PolarHBondContact O-N 2.83Å; K538-L541 PolarHBondContact O-N 3.23Å; L541-Y544 PolarHBondContact O-N 2.85Å; L541-A545 WeakPolarHBondContact O-CB 3.4Å; L541-A545 PolarHBondContact O-N 2.86Å; L541-I576 HydrophobicContact CD1-CG2 3.66Å; L541-I576 HydrophobicContact CD2-CG2 4.14Å; L541-I576 HydrophobicContact CG-CG2 3.94Å; L541-W579 HydrophobicContact CD2-CZ3 4.33Å; L541-L580 HydrophobicContact CD2-CD1 4.12Å; L541-L580 HydrophobicContact CD2-CD2 4.04Å; L541-L580 HydrophobicContact CD2-CG 3.98Å; L541-L580 HydrophobicContact CG-CD1 3.95Å; L541-L580 HydrophobicContact CG-CG 4.37Å; L541-F591 HydrophobicContact CD2-CB 4.5Å; L541-F591 HydrophobicContact CD2-CD1 4.07Å; L541-K594 HydrophobicContact CD1-CB 4.44Å; L541-K594 HydrophobicContact CD2-CB 3.73Å; L541-Q595 HydrophobicContact CB-CB 4.49Å; L541-Q595 VanDerWaalsContact CD1-CA 3.46Å; L541-Q595 HydrophobicContact CD1-CB 3.8Å; L541-Q595 HydrophobicContact CD1-CG 4.17Å
542	E	88.9	Confident	85	Confident	65 Å²	65	53.8 Å²	53.8	30%	0.304	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-48.9	179.9	-174.5	171	-158.6	0	0	111	K538 Y544 A545 F546 L580	K538-E542 WeakPolarHBondContact O-CB 3.43Å; K538-E542 PolarHBondContact O-N 3.08Å; E542-Y544 VanDerWaalsContact C-N 3.34Å; E542-Y544 PolarHBondContact O-N 3.4Å; E542-A545 PolarHBondContact O-N 3.1Å; E542-F546 HydrophobicContact CG-CD2 3.73Å; E542-F546 HydrophobicContact CG-CE2 3.51Å; E542-F546 WeakPolarHBondContact O-CD2 3.34Å; E542-F546 PolarHBondContact O-N 3.27Å; E542-L580 HydrophobicContact CB-CD1 3.89Å; E542-L580 HydrophobicContact CG-CD1 4.35Å
543	S	88.9	Confident	85.1	Confident	64 Å²	64	52 Å²	52	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-60.3	-42.6	176.6	-60.8	0	0	0	0	111.8	N539 S540 N547	N539-S543 WeakPolarHBondContact O-CB 3.36Å; N539-S543 PolarHBondContact O-N 3.22Å; N539-S543 PolarHBondContact O-OG 2.9Å; S540-S543 PolarHBondContact O-N 2.88Å; S543-N547 WeakPolarHBondContact O-CB 3.42Å; S543-N547 PolarHBondContact O-N 3.21Å; S543-N547 PolarHBondContact O-ND2 3.09Å
544	Y	89.5	Confident	84.8	Confident	41 Å²	41	53.3 Å²	53.3	16%	0.161	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-43.5	178.6	-174.5	-103	0	0	0	111.8	S540 L541 E542 N547 M548 L598 E599 N603	S540-Y544 VanDerWaalsContact O-CB 3.32Å; S540-Y544 WeakPolarHBondContact O-CB 3.27Å; S540-Y544 PolarHBondContact O-N 3.3Å; L541-Y544 PolarHBondContact O-N 2.85Å; E542-Y544 VanDerWaalsContact C-N 3.34Å; E542-Y544 PolarHBondContact O-N 3.4Å; Y544-N547 PolarHBondContact O-N 3.33Å; Y544-M548 HydrophobicContact CD1-CG 4.27Å; Y544-M548 HydrophobicContact CE1-CG 3.87Å; Y544-M548 HydrophobicContact CE2-CE 4.4Å; Y544-M548 HydrophobicContact CE2-CG 4.13Å; Y544-M548 HydrophobicContact CE2-SD 4.39Å; Y544-M548 WeakPolarHBondContact O-CB 3.42Å; Y544-M548 WeakPolarHBondContact O-CG 2.97Å; Y544-M548 PolarHBondContact O-N 2.96Å; Y544-L598 HydrophobicContact CD1-CD2 3.64Å; Y544-L598 HydrophobicContact CD1-CG 4Å; Y544-L598 HydrophobicContact CE1-CB 4.43Å; Y544-L598 HydrophobicContact CE1-CD2 4.02Å; Y544-L598 HydrophobicContact CE1-CG 3.86Å; Y544-E599 HydrophobicContact CD1-CG 4.42Å; Y544-E599 HydrophobicContact CE1-CG 3.68Å; Y544-E599 HydrophobicContact CE2-CG 4.45Å; Y544-N603 PolarHBondContact OH-OD1 3.23Å
545	A	89.3	Confident	84.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176.6	0	0	0	0	0	112.2	L541 E542 M548 K549 I576 I577 L598	L541-A545 WeakPolarHBondContact O-CB 3.4Å; L541-A545 PolarHBondContact O-N 2.86Å; E542-A545 PolarHBondContact O-N 3.1Å; A545-M548 PolarHBondContact O-N 2.9Å; A545-K549 WeakPolarHBondContact O-CB 3.36Å; A545-K549 PolarHBondContact O-N 3.4Å; A545-I576 HydrophobicContact CB-CG2 4.28Å; A545-I577 HydrophobicContact CB-CD1 4.49Å; A545-I577 HydrophobicContact CB-CG1 4.11Å; A545-L598 HydrophobicContact CB-CD2 3.83Å
546	F	88.4	Confident	84	Confident	96 Å²	96	59.3 Å²	59.3	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-38.8	176.7	-76.7	-61.9	0	0	0	112.8	E542 K549 S550 I577	E542-F546 HydrophobicContact CG-CD2 3.73Å; E542-F546 HydrophobicContact CG-CE2 3.51Å; E542-F546 WeakPolarHBondContact O-CD2 3.34Å; E542-F546 PolarHBondContact O-N 3.27Å; F546-K549 PolarHBondContact O-N 3.45Å; F546-S550 WeakPolarHBondContact O-CB 3.24Å; F546-S550 PolarHBondContact O-N 3.43Å; F546-S550 PolarHBondContact O-OG 2.86Å; F546-I577 HydrophobicContact CD1-CD1 4.2Å; F546-I577 HydrophobicContact CE1-CD1 3.9Å; F546-I577 HydrophobicContact CZ-CD1 4.27Å; F546-I577 HydrophobicContact CZ-CG1 4.49Å
547	N	85.8	Confident	83.3	Confident	95 Å²	95	55.1 Å²	55.1	51%	0.508	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-44.1	175.6	-76.5	-22.1	0	0	0	111.5	S543 Y544 S550 T551	S543-N547 WeakPolarHBondContact O-CB 3.42Å; S543-N547 PolarHBondContact O-N 3.21Å; S543-N547 PolarHBondContact O-ND2 3.09Å; Y544-N547 PolarHBondContact O-N 3.33Å; N547-S550 PolarHBondContact O-N 2.91Å; N547-T551 VanDerWaalsContact O-CB 3.32Å; N547-T551 WeakPolarHBondContact O-CB 3.48Å; N547-T551 PolarHBondContact O-N 3.31Å; N547-T551 PolarHBondContact O-OG1 3.12Å
548	M	85	Confident	82.4	Confident	23 Å²	23	57.7 Å²	57.7	11%	0.113	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-42.2	177	-74.3	-49	91.5	0	0	112.4	Y544 A545 S550 T551 V552 I569 C602 I606	Y544-M548 HydrophobicContact CD1-CG 4.27Å; Y544-M548 HydrophobicContact CE1-CG 3.87Å; Y544-M548 HydrophobicContact CE2-CE 4.4Å; Y544-M548 HydrophobicContact CE2-CG 4.13Å; Y544-M548 HydrophobicContact CE2-SD 4.39Å; Y544-M548 WeakPolarHBondContact O-CB 3.42Å; Y544-M548 WeakPolarHBondContact O-CG 2.97Å; Y544-M548 PolarHBondContact O-N 2.96Å; A545-M548 PolarHBondContact O-N 2.9Å; M548-S550 VanDerWaalsContact C-N 3.32Å; M548-S550 PolarHBondContact O-N 3.4Å; M548-T551 WeakPolarHBondContact O-CB 3.33Å; M548-T551 PolarHBondContact O-N 2.87Å; M548-T551 VanDerWaalsContact O-N 3.12Å; M548-V552 WeakPolarHBondContact O-CG2 3.39Å; M548-V552 PolarHBondContact O-N 2.99Å; M548-I569 HydrophobicContact CB-CG2 4.42Å; M548-C602 HydrophobicContact CG-CB 4.5Å; M548-I606 HydrophobicContact SD-CD1 3.76Å
549	K	83.2	Confident	81.6	Confident	48 Å²	48	64.6 Å²	64.6	21%	0.209	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-46.9	173.3	-166.8	171	-170.2	166.1	0	111.5	A545 F546 T551 V552 E553 C573 E574	A545-K549 WeakPolarHBondContact O-CB 3.36Å; A545-K549 PolarHBondContact O-N 3.4Å; F546-K549 PolarHBondContact O-N 3.45Å; K549-T551 VanDerWaalsContact C-N 3.3Å; K549-T551 PolarHBondContact O-N 3.19Å; K549-V552 VanDerWaalsContact O-CG2 3.29Å; K549-V552 WeakPolarHBondContact O-CG2 3.48Å; K549-V552 PolarHBondContact O-N 3.31Å; K549-E553 WeakPolarHBondContact CE-OE1 3.23Å; K549-E553 WeakPolarHBondContact O-CB 3.5Å; K549-E553 WeakPolarHBondContact O-CG 3.44Å; K549-E553 PolarHBondContact O-N 2.7Å; K549-C573 HydrophobicContact CB-CB 4.46Å; K549-E574 IonicContact NZ-OE1 3.86Å; K549-E574 PolarHBondContact NZ-OE1 3.2Å
550	S	83.6	Confident	81	Confident	74 Å²	74	66.8 Å²	66.8	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-35.8	176.6	-55.6	0	0	0	0	112.6	F546 N547 M548 E553 D554	F546-S550 WeakPolarHBondContact O-CB 3.24Å; F546-S550 PolarHBondContact O-N 3.43Å; F546-S550 PolarHBondContact O-OG 2.86Å; N547-S550 PolarHBondContact O-N 2.91Å; M548-S550 VanDerWaalsContact C-N 3.32Å; M548-S550 PolarHBondContact O-N 3.4Å; S550-E553 PolarHBondContact O-N 2.71Å; S550-D554 PolarHBondContact O-N 3.19Å
551	T	81.5	Confident	80.4	Confident	52 Å²	52	65 Å²	65	32%	0.319	32%	0.322	S	S	.	.	H	α-helix	trans	-70.2	-40.5	-177.7	-60.6	0	0	0	0	111.7	N547 M548 K549 E553 D554 L557	N547-T551 VanDerWaalsContact O-CB 3.32Å; N547-T551 WeakPolarHBondContact O-CB 3.48Å; N547-T551 PolarHBondContact O-N 3.31Å; N547-T551 PolarHBondContact O-OG1 3.12Å; M548-T551 WeakPolarHBondContact O-CB 3.33Å; M548-T551 PolarHBondContact O-N 2.87Å; M548-T551 VanDerWaalsContact O-N 3.12Å; K549-T551 VanDerWaalsContact C-N 3.3Å; K549-T551 PolarHBondContact O-N 3.19Å; T551-E553 VanDerWaalsContact C-N 3.32Å; T551-D554 PolarHBondContact O-N 3.14Å; T551-L557 HydrophobicContact CG2-CD1 3.55Å; T551-L557 VanDerWaalsContact O-CD1 3.24Å; T551-L557 WeakPolarHBondContact O-CD1 3.34Å
552	V	81	Confident	80	Confident	6 Å²	6	67.4 Å²	67.4	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-76.8	-19.5	177.2	-62.2	0	0	0	0	113.5	M548 K549 L561 I569	M548-V552 WeakPolarHBondContact O-CG2 3.39Å; M548-V552 PolarHBondContact O-N 2.99Å; K549-V552 VanDerWaalsContact O-CG2 3.29Å; K549-V552 WeakPolarHBondContact O-CG2 3.48Å; K549-V552 PolarHBondContact O-N 3.31Å; V552-L561 HydrophobicContact CG1-CD1 4.26Å; V552-I569 HydrophobicContact CG1-CB 3.95Å; V552-I569 HydrophobicContact CG1-CD1 3.67Å; V552-I569 HydrophobicContact CG1-CG1 4.41Å; V552-I569 HydrophobicContact CG1-CG2 3.62Å; V552-I569 HydrophobicContact CG2-CG2 4.27Å
553	E	78.8	Confident	79.7	Confident	104 Å²	104	71.4 Å²	71.4	49%	0.486	36%	0.357	S	S	.	.	H	α-helix	trans	-85.5	-13.9	174.2	-71.6	176.7	-174.8	0	0	113.2	K549 S550 T551 E555 K558	K549-E553 WeakPolarHBondContact CE-OE1 3.23Å; K549-E553 WeakPolarHBondContact O-CB 3.5Å; K549-E553 WeakPolarHBondContact O-CG 3.44Å; K549-E553 PolarHBondContact O-N 2.7Å; S550-E553 PolarHBondContact O-N 2.71Å; T551-E553 VanDerWaalsContact C-N 3.32Å; E553-E555 PolarHBondContact O-N 3.43Å; E553-K558 VanDerWaalsContact O-CE 3.28Å; E553-K558 WeakPolarHBondContact O-CE 3.37Å
554	D	76.9	Confident	79.6	Confident	73 Å²	73	71.9 Å²	71.9	39%	0.39	36%	0.36	S	S	.	.	S	Bend	trans	-64	122.1	175	-169.2	-43.7	0	0	0	110.8	S550 T551 K556 L557 K558	S550-D554 PolarHBondContact O-N 3.19Å; T551-D554 PolarHBondContact O-N 3.14Å; D554-K556 PolarHBondContact O-N 3.14Å; D554-K556 VanDerWaalsContact O-N 3.1Å; D554-K556 PolarHBondContact OD1-N 3.49Å; D554-L557 HydrophobicContact CB-CD1 4.33Å; D554-L557 PolarHBondContact O-N 3.33Å; D554-K558 PolarHBondContact O-N 2.79Å
555	E	76.3	Confident	79.4	Confident	96 Å²	96	71 Å²	71	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-51.2	-34.7	-179	-70.4	-60.9	142.6	0	0	113.8	E553 L557 K558	E553-E555 PolarHBondContact O-N 3.43Å; E555-L557 VanDerWaalsContact C-N 3.29Å; E555-L557 PolarHBondContact O-N 3.1Å; E555-K558 PolarHBondContact O-N 3.18Å; E555-K558 IonicContact OE1-NZ 3.99Å; E555-K558 PolarHBondContact OE1-NZ 2.92Å
556	K	69.9	Low	79.2	Confident	106 Å²	106	74.1 Å²	74.1	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-69.7	-28.5	179.6	-69.6	-178.9	-178.9	171.2	0	113.1	D554 A892	D554-K556 PolarHBondContact O-N 3.14Å; D554-K556 VanDerWaalsContact O-N 3.1Å; D554-K556 PolarHBondContact OD1-N 3.49Å; K556-A892 VanDerWaalsContact NZ-CB 3.27Å
557	L	66	Low	79.2	Confident	38 Å²	38	75.6 Å²	75.6	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-91.7	-25.6	-179.5	-74.1	163.3	0	0	0	111.4	T551 D554 E555 E559 K560 L561 M609	T551-L557 HydrophobicContact CG2-CD1 3.55Å; T551-L557 VanDerWaalsContact O-CD1 3.24Å; T551-L557 WeakPolarHBondContact O-CD1 3.34Å; D554-L557 HydrophobicContact CB-CD1 4.33Å; D554-L557 PolarHBondContact O-N 3.33Å; E555-L557 VanDerWaalsContact C-N 3.29Å; E555-L557 PolarHBondContact O-N 3.1Å; L557-E559 PolarHBondContact O-N 3.38Å; L557-K560 PolarHBondContact O-N 2.74Å; L557-L561 PolarHBondContact O-N 2.98Å; L557-L561 VanDerWaalsContact O-N 3.12Å; L557-M609 HydrophobicContact CD2-CE 3.79Å; L557-M609 HydrophobicContact CD2-SD 3.37Å; L557-M609 WeakPolarHBondContact CD2-SD 3.26Å
558	K	66.1	Low	79.3	Confident	69 Å²	69	75.9 Å²	75.9	30%	0.3	38%	0.375	S	S	.	.	H	α-helix	trans	-53.3	-39.1	173.4	-80.4	-175.7	-175.1	167	0	112.5	E553 D554 E555 K560 R566	E553-K558 VanDerWaalsContact O-CE 3.28Å; E553-K558 WeakPolarHBondContact O-CE 3.37Å; D554-K558 PolarHBondContact O-N 2.79Å; E555-K558 PolarHBondContact O-N 3.18Å; E555-K558 IonicContact OE1-NZ 3.99Å; E555-K558 PolarHBondContact OE1-NZ 2.92Å; K558-K560 VanDerWaalsContact C-N 3.34Å; K558-R566 PolarHBondContact O-NH1 3.21Å
559	E	69.4	Low	79.5	Confident	180 Å²	180	74.9 Å²	74.9	84%	0.841	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.9	178.9	-66.2	-174.5	168.6	0	0	113.4	L557	L557-E559 PolarHBondContact O-N 3.38Å
560	K	73.1	Confident	79.8	Confident	121 Å²	121	74.1 Å²	74.1	53%	0.526	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-20.1	-176.4	-65.1	-166.4	176.3	-164.7	0	113.7	L557 K558 M609 E613	L557-K560 PolarHBondContact O-N 2.74Å; K558-K560 VanDerWaalsContact C-N 3.34Å; K560-M609 HydrophobicContact CB-CG 4.14Å; K560-M609 HydrophobicContact CB-SD 4.35Å; K560-M609 HydrophobicContact CD-CG 4.49Å; K560-E613 IonicContact NZ-OE1 2.65Å; K560-E613 PolarHBondContact NZ-OE1 3.38Å
561	L	76.5	Confident	80.3	Confident	15 Å²	15	75.6 Å²	75.6	8%	0.079	37%	0.368	C	S	.	.	S	Bend	trans	-104.1	135.2	-178.8	-72.3	168.4	0	0	0	111	V552 L557 D565 R566 I605 M609	V552-L561 HydrophobicContact CG1-CD1 4.26Å; L557-L561 PolarHBondContact O-N 2.98Å; L557-L561 VanDerWaalsContact O-N 3.12Å; L561-D565 HydrophobicContact CD2-CB 4.49Å; L561-R566 HydrophobicContact CB-CG 3.66Å; L561-R566 HydrophobicContact CD1-CG 4.33Å; L561-I605 HydrophobicContact CD2-CG2 3.4Å; L561-I605 VanDerWaalsContact CD2-CG2 3.4Å; L561-M609 HydrophobicContact CD2-CB 4.48Å; L561-M609 HydrophobicContact CD2-SD 4.44Å; L561-M609 HydrophobicContact CG-SD 4.36Å
562	S	81.3	Confident	80.8	Confident	49 Å²	49	74.8 Å²	74.8	34%	0.343	36%	0.36	S	S	.	.			trans	-61.2	146.5	172.2	75	0	0	0	0	110.3	S564 D565 R566	S562-S564 PolarHBondContact O-N 2.88Å; S562-S564 PolarHBondContact OG-OG 2.83Å; S562-D565 PolarHBondContact O-N 3.25Å; S562-D565 WeakPolarHBondContact OG-CB 3.42Å; S562-D565 PolarHBondContact OG-N 2.97Å; S562-D565 VanDerWaalsContact OG-N 3.07Å; S562-D565 PolarHBondContact OG-OD2 3.33Å; S562-R566 PolarHBondContact O-N 3.41Å
563	E	83	Confident	81.4	Confident	150 Å²	150	74.5 Å²	74.5	70%	0.701	36%	0.358	S	S	*	.	H	α-helix	trans	-56.1	-35.7	177.4	-174	175.2	-171.7	0	0	111.8	K567	E563-K567 WeakPolarHBondContact O-CB 3.43Å; E563-K567 PolarHBondContact O-N 3.01Å
564	S	86.2	Confident	82.1	Confident	73 Å²	73	74 Å²	74	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-45.4	173	45.1	0	0	0	0	113.3	S562 K567 Q568	S562-S564 PolarHBondContact O-N 2.88Å; S562-S564 PolarHBondContact OG-OG 2.83Å; S564-K567 PolarHBondContact O-N 2.85Å; S564-Q568 WeakPolarHBondContact O-CG 3.32Å; S564-Q568 PolarHBondContact O-N 3.43Å
565	D	86.8	Confident	82.9	Confident	24 Å²	24	74.9 Å²	74.9	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-40.1	-179.5	-70.4	-47.6	0	0	0	110.8	L561 S562 K567 Q568 I569 I605 R608	L561-D565 HydrophobicContact CD2-CB 4.49Å; S562-D565 PolarHBondContact O-N 3.25Å; S562-D565 WeakPolarHBondContact OG-CB 3.42Å; S562-D565 PolarHBondContact OG-N 2.97Å; S562-D565 VanDerWaalsContact OG-N 3.07Å; S562-D565 PolarHBondContact OG-OD2 3.33Å; D565-K567 PolarHBondContact O-N 3.39Å; D565-Q568 PolarHBondContact O-N 3.46Å; D565-I569 PolarHBondContact O-N 2.72Å; D565-I605 HydrophobicContact CB-CD1 4.15Å; D565-I605 HydrophobicContact CB-CG1 4.33Å; D565-I605 HydrophobicContact CB-CG2 3.75Å; D565-R608 IonicContact OD1-CZ 3.27Å; D565-R608 IonicContact OD1-NH1 3.42Å; D565-R608 IonicContact OD1-NH2 2.89Å; D565-R608 PolarHBondContact OD1-NH2 2.79Å; D565-R608 IonicContact OD2-NH2 2.78Å
566	R	85.4	Confident	83.7	Confident	65 Å²	65	70.3 Å²	70.3	25%	0.245	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176	-65.5	-172.3	-50.3	-132.8	2.6	111.9	K558 L561 S562 Q568 I569 T570	K558-R566 PolarHBondContact O-NH1 3.21Å; L561-R566 HydrophobicContact CB-CG 3.66Å; L561-R566 HydrophobicContact CD1-CG 4.33Å; S562-R566 PolarHBondContact O-N 3.41Å; R566-Q568 VanDerWaalsContact C-N 3.33Å; R566-I569 PolarHBondContact O-N 3.11Å; R566-T570 WeakPolarHBondContact O-CB 3.34Å; R566-T570 PolarHBondContact O-N 2.86Å; R566-T570 PolarHBondContact O-OG1 2.93Å
567	K	87.4	Confident	84.7	Confident	127 Å²	127	66.6 Å²	66.6	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-44.3	178.3	-175	173.3	174	178.1	0	110.7	E563 S564 D565 I569 T570 E571	E563-K567 WeakPolarHBondContact O-CB 3.43Å; E563-K567 PolarHBondContact O-N 3.01Å; S564-K567 PolarHBondContact O-N 2.85Å; D565-K567 PolarHBondContact O-N 3.39Å; K567-I569 PolarHBondContact O-N 3.43Å; K567-T570 PolarHBondContact O-N 3.49Å; K567-E571 WeakPolarHBondContact CE-OE1 3.47Å; K567-E571 HydrophobicContact CG-CG 4.27Å; K567-E571 IonicContact NZ-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.22Å; K567-E571 WeakPolarHBondContact O-CG 3.3Å; K567-E571 PolarHBondContact O-N 3.2Å
568	Q	88.7	Confident	86	Confident	101 Å²	101	72.4 Å²	72.4	47%	0.472	35%	0.345	S	S	.	.	H	α-helix	trans	-58.9	-46.6	176.1	-76.3	178.9	19.6	0	0	112.9	S564 D565 R566 K572	S564-Q568 WeakPolarHBondContact O-CG 3.32Å; S564-Q568 PolarHBondContact O-N 3.43Å; D565-Q568 PolarHBondContact O-N 3.46Å; R566-Q568 VanDerWaalsContact C-N 3.33Å; Q568-K572 WeakPolarHBondContact O-CB 3.45Å; Q568-K572 PolarHBondContact O-N 3.41Å; Q568-K572 VanDerWaalsContact O-N 3.08Å
569	I	89.1	Confident	87.4	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-45.3	178.2	-67.3	171.5	0	0	0	110.8	M548 V552 D565 R566 K567 K572 C573 I605	M548-I569 HydrophobicContact CB-CG2 4.42Å; V552-I569 HydrophobicContact CG1-CB 3.95Å; V552-I569 HydrophobicContact CG1-CD1 3.67Å; V552-I569 HydrophobicContact CG1-CG1 4.41Å; V552-I569 HydrophobicContact CG1-CG2 3.62Å; V552-I569 HydrophobicContact CG2-CG2 4.27Å; D565-I569 PolarHBondContact O-N 2.72Å; R566-I569 PolarHBondContact O-N 3.11Å; K567-I569 PolarHBondContact O-N 3.43Å; I569-K572 PolarHBondContact O-N 3.49Å; I569-C573 WeakPolarHBondContact O-CB 3.48Å; I569-C573 PolarHBondContact O-N 3.33Å; I569-C573 PolarHBondContact O-SG 2.93Å; I569-I605 HydrophobicContact CD1-CB 4.11Å; I569-I605 HydrophobicContact CD1-CD1 3.9Å; I569-I605 HydrophobicContact CD1-CG2 3.72Å; I569-I605 HydrophobicContact CG1-CD1 3.65Å
570	T	89.6	Confident	88.3	Confident	33 Å²	33	63 Å²	63	20%	0.202	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-47.8	-176.4	-52.2	0	0	0	0	111.3	R566 K567 K572 C573 E574	R566-T570 WeakPolarHBondContact O-CB 3.34Å; R566-T570 PolarHBondContact O-N 2.86Å; R566-T570 PolarHBondContact O-OG1 2.93Å; K567-T570 PolarHBondContact O-N 3.49Å; T570-K572 VanDerWaalsContact C-N 3.29Å; T570-K572 PolarHBondContact O-N 2.82Å; T570-C573 PolarHBondContact O-N 2.81Å; T570-E574 WeakPolarHBondContact O-CG 3.49Å; T570-E574 PolarHBondContact O-N 3.21Å
571	E	92.4	Very high	89	Confident	104 Å²	104	62.1 Å²	62.1	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-59.4	-41.5	176.5	-74.1	177.1	166	0	0	111	K567 E574 E575	K567-E571 WeakPolarHBondContact CE-OE1 3.47Å; K567-E571 HydrophobicContact CG-CG 4.27Å; K567-E571 IonicContact NZ-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.22Å; K567-E571 WeakPolarHBondContact O-CG 3.3Å; K567-E571 PolarHBondContact O-N 3.2Å; E571-E574 PolarHBondContact O-N 3.37Å; E571-E575 WeakPolarHBondContact O-CB 3.49Å; E571-E575 PolarHBondContact O-N 2.83Å
572	K	93.4	Very high	89.6	Confident	35 Å²	35	65.2 Å²	65.2	15%	0.152	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-40.7	177.3	-165	67.9	-172.8	167.6	0	112.2	Q568 I569 T570 E574 E575 I576 E597 L598 V601	Q568-K572 WeakPolarHBondContact O-CB 3.45Å; Q568-K572 PolarHBondContact O-N 3.41Å; Q568-K572 VanDerWaalsContact O-N 3.08Å; I569-K572 PolarHBondContact O-N 3.49Å; T570-K572 VanDerWaalsContact C-N 3.29Å; T570-K572 PolarHBondContact O-N 2.82Å; K572-E574 VanDerWaalsContact C-N 3.34Å; K572-E574 PolarHBondContact O-N 2.89Å; K572-E575 WeakPolarHBondContact CD-OE2 3.17Å; K572-E575 VanDerWaalsContact NZ-CD 3.25Å; K572-E575 IonicContact NZ-OE1 2.76Å; K572-E575 PolarHBondContact NZ-OE1 3.01Å; K572-E575 IonicContact NZ-OE2 2.82Å; K572-E575 PolarHBondContact NZ-OE2 3.32Å; K572-E575 PolarHBondContact O-N 3.1Å; K572-I576 WeakPolarHBondContact O-CG1 3.49Å; K572-I576 PolarHBondContact O-N 3.5Å; K572-E597 IonicContact NZ-OE2 2.81Å; K572-E597 PolarHBondContact NZ-OE2 2.99Å; K572-L598 HydrophobicContact CB-CD1 4.08Å; K572-L598 HydrophobicContact CG-CD1 3.71Å; K572-V601 HydrophobicContact CB-CG1 4.43Å; K572-V601 HydrophobicContact CD-CG2 4.36Å; K572-V601 HydrophobicContact CG-CB 4.39Å; K572-V601 HydrophobicContact CG-CG2 4.11Å
573	C	92.7	Very high	89.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-43.8	174.8	-68.3	0	0	0	0	111.4	K549 I569 T570 I576 I577	K549-C573 HydrophobicContact CB-CB 4.46Å; I569-C573 WeakPolarHBondContact O-CB 3.48Å; I569-C573 PolarHBondContact O-N 3.33Å; I569-C573 PolarHBondContact O-SG 2.93Å; T570-C573 PolarHBondContact O-N 2.81Å; C573-I576 PolarHBondContact O-N 3.37Å; C573-I577 VanDerWaalsContact O-CG1 3.26Å; C573-I577 WeakPolarHBondContact O-CG1 3.49Å; C573-I577 PolarHBondContact O-N 2.79Å
574	E	93.2	Very high	89.9	Confident	95 Å²	95	63.6 Å²	63.6	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-38.7	178.6	-71.6	-178.9	169.8	0	0	112.8	K549 T570 E571 K572 I576 I577 K578	K549-E574 IonicContact NZ-OE1 3.86Å; K549-E574 PolarHBondContact NZ-OE1 3.2Å; T570-E574 WeakPolarHBondContact O-CG 3.49Å; T570-E574 PolarHBondContact O-N 3.21Å; E571-E574 PolarHBondContact O-N 3.37Å; K572-E574 VanDerWaalsContact C-N 3.34Å; K572-E574 PolarHBondContact O-N 2.89Å; E574-I576 VanDerWaalsContact C-N 3.33Å; E574-I576 PolarHBondContact O-N 3.3Å; E574-I577 PolarHBondContact O-N 2.97Å; E574-K578 VanDerWaalsContact O-CB 3.28Å; E574-K578 WeakPolarHBondContact O-CB 3.44Å; E574-K578 PolarHBondContact O-N 3.42Å
575	E	94.4	Very high	89.7	Confident	90 Å²	90	66.1 Å²	66.1	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-57.2	-48	171.3	-173.5	-157.7	133.3	0	0	110.9	E571 K572 K578 W579	E571-E575 WeakPolarHBondContact O-CB 3.49Å; E571-E575 PolarHBondContact O-N 2.83Å; K572-E575 WeakPolarHBondContact CD-OE2 3.17Å; K572-E575 VanDerWaalsContact NZ-CD 3.25Å; K572-E575 IonicContact NZ-OE1 2.76Å; K572-E575 PolarHBondContact NZ-OE1 3.01Å; K572-E575 IonicContact NZ-OE2 2.82Å; K572-E575 PolarHBondContact NZ-OE2 3.32Å; K572-E575 PolarHBondContact O-N 3.1Å; E575-K578 PolarHBondContact O-N 2.84Å; E575-W579 WeakPolarHBondContact O-CB 3.35Å; E575-W579 PolarHBondContact O-N 2.88Å
576	I	93.4	Very high	89.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-43	-178.9	-66.6	-66.4	0	0	0	111.7	L541 A545 K572 C573 E574 W579 L580 K594 L598	L541-I576 HydrophobicContact CD1-CG2 3.66Å; L541-I576 HydrophobicContact CD2-CG2 4.14Å; L541-I576 HydrophobicContact CG-CG2 3.94Å; A545-I576 HydrophobicContact CB-CG2 4.28Å; K572-I576 WeakPolarHBondContact O-CG1 3.49Å; K572-I576 PolarHBondContact O-N 3.5Å; C573-I576 PolarHBondContact O-N 3.37Å; E574-I576 VanDerWaalsContact C-N 3.33Å; E574-I576 PolarHBondContact O-N 3.3Å; I576-W579 PolarHBondContact O-N 3.44Å; I576-L580 HydrophobicContact CG2-CD1 4.25Å; I576-L580 WeakPolarHBondContact O-CB 3.21Å; I576-L580 PolarHBondContact O-N 3.27Å; I576-K594 HydrophobicContact CD1-CB 4.06Å; I576-K594 HydrophobicContact CD1-CD 3.56Å; I576-K594 HydrophobicContact CD1-CG 4.39Å; I576-L598 HydrophobicContact CG1-CB 4.23Å; I576-L598 HydrophobicContact CG1-CD1 4.41Å; I576-L598 HydrophobicContact CG1-CD2 4.35Å; I576-L598 HydrophobicContact CG2-CD2 4.35Å
577	I	91.4	Very high	89.7	Confident	29 Å²	29	66.4 Å²	66.4	15%	0.149	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-46.6	177.3	-69.5	163.7	0	0	0	110.3	A545 F546 C573 E574 W579 L580 D581	A545-I577 HydrophobicContact CB-CD1 4.49Å; A545-I577 HydrophobicContact CB-CG1 4.11Å; F546-I577 HydrophobicContact CD1-CD1 4.2Å; F546-I577 HydrophobicContact CE1-CD1 3.9Å; F546-I577 HydrophobicContact CZ-CD1 4.27Å; F546-I577 HydrophobicContact CZ-CG1 4.49Å; C573-I577 VanDerWaalsContact O-CG1 3.26Å; C573-I577 WeakPolarHBondContact O-CG1 3.49Å; C573-I577 PolarHBondContact O-N 2.79Å; E574-I577 PolarHBondContact O-N 2.97Å; I577-W579 VanDerWaalsContact C-N 3.27Å; I577-W579 PolarHBondContact O-N 2.89Å; I577-L580 WeakPolarHBondContact O-CB 3.46Å; I577-L580 PolarHBondContact O-N 3.37Å; I577-L580 VanDerWaalsContact O-N 3.15Å; I577-D581 PolarHBondContact O-N 2.87Å
578	K	92.4	Very high	89.8	Confident	159 Å²	159	62.8 Å²	62.8	69%	0.691	31%	0.314	S	S	*	.	H	α-helix	trans	-62.9	-37	177.1	-172.6	177.9	-179.7	-179.5	0	111.9	E574 E575 A582	E574-K578 VanDerWaalsContact O-CB 3.28Å; E574-K578 WeakPolarHBondContact O-CB 3.44Å; E574-K578 PolarHBondContact O-N 3.42Å; E575-K578 PolarHBondContact O-N 2.84Å; K578-A582 PolarHBondContact O-N 2.97Å
579	W	94.6	Very high	89.9	Confident	48 Å²	48	63.4 Å²	63.4	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-43.8	173.8	-178.4	91.2	0	0	0	111.4	L541 E575 I576 I577 D581 A582 N583 A586 E590 F591 K594	L541-W579 HydrophobicContact CD2-CZ3 4.33Å; E575-W579 WeakPolarHBondContact O-CB 3.35Å; E575-W579 PolarHBondContact O-N 2.88Å; I576-W579 PolarHBondContact O-N 3.44Å; I577-W579 VanDerWaalsContact C-N 3.27Å; I577-W579 PolarHBondContact O-N 2.89Å; W579-D581 VanDerWaalsContact C-N 3.33Å; W579-D581 PolarHBondContact O-N 3.37Å; W579-A582 PolarHBondContact O-N 3.03Å; W579-N583 VanDerWaalsContact CD1-ND2 3.32Å; W579-N583 HydrophobicContact CD2-CB 4.2Å; W579-N583 HydrophobicContact CE3-CB 4.43Å; W579-N583 HydrophobicContact CH2-CB 4.13Å; W579-N583 HydrophobicContact CZ2-CB 3.87Å; W579-N583 HydrophobicContact CZ3-CB 4.4Å; W579-N583 PolarHBondContact NE1-ND2 2.88Å; W579-N583 VanDerWaalsContact O-CB 3.31Å; W579-N583 WeakPolarHBondContact O-CB 3.34Å; W579-N583 PolarHBondContact O-N 3.37Å; W579-N583 PolarHBondContact O-ND2 3.37Å; W579-A586 HydrophobicContact CH2-CB 3.64Å; W579-A586 HydrophobicContact CZ2-CB 4.12Å; W579-E590 HydrophobicContact CH2-CB 4.15Å; W579-E590 HydrophobicContact CZ2-CB 4.41Å; W579-F591 HydrophobicContact CH2-CD1 4.05Å; W579-F591 HydrophobicContact CH2-CE1 4.07Å; W579-F591 AromaticContact CZ3-CD1 3.69Å; W579-F591 HydrophobicContact CZ3-CD1 3.69Å; W579-F591 AromaticContact CZ3-CE1 3.74Å; W579-F591 HydrophobicContact CZ3-CE1 3.74Å; W579-K594 HydrophobicContact CD2-CD 4.21Å; W579-K594 HydrophobicContact CD2-CG 4.12Å; W579-K594 HydrophobicContact CE3-CD 4.4Å; W579-K594 HydrophobicContact CE3-CG 3.95Å; W579-K594 HydrophobicContact CH2-CG 3.98Å; W579-K594 HydrophobicContact CZ2-CG 4.14Å; W579-K594 HydrophobicContact CZ3-CB 4.35Å; W579-K594 HydrophobicContact CZ3-CG 3.89Å
580	L	89.8	Confident	90.1	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-44.8	175.6	-93.4	165.9	0	0	0	111.9	K538 L541 E542 I576 I577 A582 N583 Q584 F591	K538-L580 HydrophobicContact CG-CD2 3.74Å; L541-L580 HydrophobicContact CD2-CD1 4.12Å; L541-L580 HydrophobicContact CD2-CD2 4.04Å; L541-L580 HydrophobicContact CD2-CG 3.98Å; L541-L580 HydrophobicContact CG-CD1 3.95Å; L541-L580 HydrophobicContact CG-CG 4.37Å; E542-L580 HydrophobicContact CB-CD1 3.89Å; E542-L580 HydrophobicContact CG-CD1 4.35Å; I576-L580 HydrophobicContact CG2-CD1 4.25Å; I576-L580 WeakPolarHBondContact O-CB 3.21Å; I576-L580 PolarHBondContact O-N 3.27Å; I577-L580 WeakPolarHBondContact O-CB 3.46Å; I577-L580 PolarHBondContact O-N 3.37Å; I577-L580 VanDerWaalsContact O-N 3.15Å; L580-A582 VanDerWaalsContact C-N 3.33Å; L580-A582 PolarHBondContact O-N 3.07Å; L580-N583 CarbonylContact O-C 3.54Å; L580-N583 PolarHBondContact O-N 2.99Å; L580-Q584 PolarHBondContact O-N 3.08Å; L580-F591 HydrophobicContact CD2-CD1 4.04Å; L580-F591 HydrophobicContact CD2-CE1 3.77Å
581	D	87.5	Confident	90.3	Very high	102 Å²	102	66.1 Å²	66.1	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-39.8	178.3	-74	-25	0	0	0	112.2	I577 W579	I577-D581 PolarHBondContact O-N 2.87Å; W579-D581 VanDerWaalsContact C-N 3.33Å; W579-D581 PolarHBondContact O-N 3.37Å
582	A	88.4	Confident	90.3	Very high	80 Å²	80	64.3 Å²	64.3	66%	0.661	32%	0.319	S	S	*	.	H	α-helix	trans	-79.6	-20.3	179.3	0	0	0	0	0	113.7	K578 W579 L580	K578-A582 PolarHBondContact O-N 2.97Å; W579-A582 PolarHBondContact O-N 3.03Å; L580-A582 VanDerWaalsContact C-N 3.33Å; L580-A582 PolarHBondContact O-N 3.07Å
583	N	88.9	Confident	90.3	Very high	58 Å²	58	67.8 Å²	67.8	31%	0.31	34%	0.336	S	S	.	.			trans	-127.3	46.1	-169.8	-59.9	-85.2	0	0	0	112.3	W579 L580 L585 A586	W579-N583 VanDerWaalsContact CD1-ND2 3.32Å; W579-N583 HydrophobicContact CD2-CB 4.2Å; W579-N583 HydrophobicContact CE3-CB 4.43Å; W579-N583 HydrophobicContact CH2-CB 4.13Å; W579-N583 HydrophobicContact CZ2-CB 3.87Å; W579-N583 HydrophobicContact CZ3-CB 4.4Å; W579-N583 PolarHBondContact NE1-ND2 2.88Å; W579-N583 VanDerWaalsContact O-CB 3.31Å; W579-N583 WeakPolarHBondContact O-CB 3.34Å; W579-N583 PolarHBondContact O-N 3.37Å; W579-N583 PolarHBondContact O-ND2 3.37Å; L580-N583 CarbonylContact O-C 3.54Å; L580-N583 PolarHBondContact O-N 2.99Å; N583-L585 PolarHBondContact O-N 3.29Å; N583-A586 HydrophobicContact CB-CB 4.22Å; N583-A586 WeakPolarHBondContact O-CB 3.37Å; N583-A586 PolarHBondContact O-N 2.94Å; N583-A586 VanDerWaalsContact O-N 3.08Å
584	Q	81.9	Confident	90.4	Very high	107 Å²	107	69.2 Å²	69.2	50%	0.5	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.8	-178.7	-60.5	-161.9	-9.5	0	0	114.4	R534 L580	R534-Q584 PolarHBondContact NH1-O 2.93Å; L580-Q584 PolarHBondContact O-N 3.08Å
585	L	81.3	Confident	90.3	Very high	126 Å²	126	66.3 Å²	66.3	66%	0.66	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	11.6	-179.8	-60.7	179.4	0	0	0	113.8	T46 N583	T46-L585 HydrophobicContact CG2-CD2 3.91Å; N583-L585 PolarHBondContact O-N 3.29Å
586	A	85.1	Confident	90.3	Very high	8 Å²	8	68.3 Å²	68.3	7%	0.066	34%	0.336	C	S	.	.			trans	-59.1	157.7	175.6	0	0	0	0	0	112.3	R534 W579 N583 E590 F591	R534-A586 VanDerWaalsContact CD-O 3.32Å; R534-A586 WeakPolarHBondContact CD-O 3.48Å; R534-A586 PolarHBondContact NH1-O 3.24Å; W579-A586 HydrophobicContact CH2-CB 3.64Å; W579-A586 HydrophobicContact CZ2-CB 4.12Å; N583-A586 HydrophobicContact CB-CB 4.22Å; N583-A586 WeakPolarHBondContact O-CB 3.37Å; N583-A586 PolarHBondContact O-N 2.94Å; N583-A586 VanDerWaalsContact O-N 3.08Å; A586-E590 HydrophobicContact CB-CB 4.1Å; A586-F591 HydrophobicContact CB-CE1 3.94Å; A586-F591 HydrophobicContact CB-CE2 4.12Å; A586-F591 HydrophobicContact CB-CZ 3.71Å; A586-F591 WeakPolarHBondContact O-CE2 3.48Å
587	E	88.2	Confident	90.2	Very high	87 Å²	87	70.5 Å²	70.5	41%	0.407	35%	0.346	S	S	.	.			trans	-75.5	162.6	178.3	-70.3	-66.8	151.4	0	0	111.9	K530 E589 E590 F591	K530-E587 IonicContact NZ-OE2 3.19Å; E587-E589 VanDerWaalsContact C-N 3.28Å; E587-E589 PolarHBondContact O-N 3.47Å; E587-E590 HydrophobicContact CB-CG 4.44Å; E587-E590 PolarHBondContact N-OE2 3.39Å; E587-E590 WeakPolarHBondContact O-CB 3.45Å; E587-E590 PolarHBondContact O-N 3.03Å; E587-E590 VanDerWaalsContact O-N 3.12Å; E587-F591 WeakPolarHBondContact O-CD2 3.2Å; E587-F591 PolarHBondContact O-N 3.06Å
588	K	89	Confident	90.2	Very high	51 Å²	51	69.1 Å²	69.1	22%	0.222	34%	0.339	C	S	.	.	H	α-helix	trans	-55.2	-45.2	-178.2	178.9	-180	178.6	174.3	0	111.4	D533 R534 E590 F591 E592	D533-K588 HydrophobicContact CB-CD 4.21Å; D533-K588 IonicContact OD2-NZ 2.88Å; D533-K588 PolarHBondContact OD2-NZ 2.77Å; R534-K588 HydrophobicContact CB-CB 4.4Å; R534-K588 HydrophobicContact CG-CB 4.49Å; K588-E590 VanDerWaalsContact C-N 3.28Å; K588-E590 PolarHBondContact O-N 3.35Å; K588-F591 PolarHBondContact O-N 2.76Å; K588-E592 WeakPolarHBondContact CE-OE1 3.43Å; K588-E592 WeakPolarHBondContact O-CG 3.4Å; K588-E592 PolarHBondContact O-N 3.2Å
589	E	92	Very high	90.2	Very high	114 Å²	114	64 Å²	64	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-31.8	-178	-62.8	77.1	-170.4	0	0	112	E587 H593	E587-E589 VanDerWaalsContact C-N 3.28Å; E587-E589 PolarHBondContact O-N 3.47Å; E589-H593 WeakPolarHBondContact O-CB 3.4Å; E589-H593 PolarHBondContact O-N 2.91Å
590	E	92.3	Very high	90.1	Very high	90 Å²	90	65.3 Å²	65.3	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-70.4	-42.9	176.3	-63.9	-177.6	89.1	0	0	111.2	W579 A586 E587 K588 H593 K594	W579-E590 HydrophobicContact CH2-CB 4.15Å; W579-E590 HydrophobicContact CZ2-CB 4.41Å; A586-E590 HydrophobicContact CB-CB 4.1Å; E587-E590 HydrophobicContact CB-CG 4.44Å; E587-E590 PolarHBondContact N-OE2 3.39Å; E587-E590 WeakPolarHBondContact O-CB 3.45Å; E587-E590 PolarHBondContact O-N 3.03Å; E587-E590 VanDerWaalsContact O-N 3.12Å; K588-E590 VanDerWaalsContact C-N 3.28Å; K588-E590 PolarHBondContact O-N 3.35Å; E590-H593 PolarHBondContact O-N 3.03Å; E590-K594 WeakPolarHBondContact O-CB 3.35Å; E590-K594 WeakPolarHBondContact O-CG 3.47Å; E590-K594 PolarHBondContact O-N 2.97Å
591	F	92.9	Very high	90	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-45.4	173.5	-67.1	-53.6	0	0	0	111.4	R534 K538 L541 W579 L580 A586 E587 K588 H593 K594 Q595	R534-F591 HydrophobicContact CG-CD2 4.22Å; R534-F591 HydrophobicContact CG-CE2 4Å; K538-F591 HydrophobicContact CB-CD1 4.18Å; K538-F591 HydrophobicContact CB-CD2 3.92Å; K538-F591 HydrophobicContact CB-CE1 4.08Å; K538-F591 HydrophobicContact CB-CE2 3.77Å; K538-F591 HydrophobicContact CB-CG 4.13Å; K538-F591 HydrophobicContact CB-CZ 3.87Å; K538-F591 HydrophobicContact CD-CE1 4.41Å; K538-F591 HydrophobicContact CD-CZ 4.01Å; K538-F591 HydrophobicContact CG-CD1 4.27Å; K538-F591 HydrophobicContact CG-CE1 3.83Å; K538-F591 HydrophobicContact CG-CE2 4.25Å; K538-F591 HydrophobicContact CG-CZ 3.81Å; L541-F591 HydrophobicContact CD2-CB 4.5Å; L541-F591 HydrophobicContact CD2-CD1 4.07Å; W579-F591 HydrophobicContact CH2-CD1 4.05Å; W579-F591 HydrophobicContact CH2-CE1 4.07Å; W579-F591 AromaticContact CZ3-CD1 3.69Å; W579-F591 HydrophobicContact CZ3-CD1 3.69Å; W579-F591 AromaticContact CZ3-CE1 3.74Å; W579-F591 HydrophobicContact CZ3-CE1 3.74Å; L580-F591 HydrophobicContact CD2-CD1 4.04Å; L580-F591 HydrophobicContact CD2-CE1 3.77Å; A586-F591 HydrophobicContact CB-CE1 3.94Å; A586-F591 HydrophobicContact CB-CE2 4.12Å; A586-F591 HydrophobicContact CB-CZ 3.71Å; A586-F591 WeakPolarHBondContact O-CE2 3.48Å; E587-F591 WeakPolarHBondContact O-CD2 3.2Å; E587-F591 PolarHBondContact O-N 3.06Å; K588-F591 PolarHBondContact O-N 2.76Å; F591-H593 VanDerWaalsContact C-N 3.35Å; F591-H593 PolarHBondContact O-N 3.4Å; F591-K594 PolarHBondContact O-N 2.78Å; F591-Q595 WeakPolarHBondContact O-CB 3.49Å; F591-Q595 PolarHBondContact O-N 2.91Å
592	E	93.4	Very high	90	Very high	67 Å²	67	62.1 Å²	62.1	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-38.4	176.9	-72.1	179.4	-175.5	0	0	112.3	K588 Q595 K596	K588-E592 WeakPolarHBondContact CE-OE1 3.43Å; K588-E592 WeakPolarHBondContact O-CG 3.4Å; K588-E592 PolarHBondContact O-N 3.2Å; E592-Q595 PolarHBondContact O-N 3.45Å; E592-K596 WeakPolarHBondContact O-CG 3.34Å; E592-K596 PolarHBondContact O-N 2.92Å
593	H	93.2	Very high	89.9	Confident	108 Å²	108	61.8 Å²	61.8	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-46.2	174.9	-176.8	-87.7	0	0	0	111.1	E589 E590 F591 Q595 K596 E597	E589-H593 WeakPolarHBondContact O-CB 3.4Å; E589-H593 PolarHBondContact O-N 2.91Å; E590-H593 PolarHBondContact O-N 3.03Å; F591-H593 VanDerWaalsContact C-N 3.35Å; F591-H593 PolarHBondContact O-N 3.4Å; H593-Q595 VanDerWaalsContact C-N 3.29Å; H593-Q595 PolarHBondContact O-N 3.28Å; H593-K596 PolarHBondContact O-N 2.93Å; H593-E597 IonicContact CE1-OE1 2.73Å; H593-E597 PolarHBondContact CE1-OE1 3.14Å; H593-E597 IonicContact ND1-OE1 3.42Å; H593-E597 PolarHBondContact ND1-OE1 3.16Å; H593-E597 PolarHBondContact O-N 3.25Å
594	K	94.2	Very high	89.8	Confident	30 Å²	30	62.1 Å²	62.1	13%	0.13	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-34.8	176.4	-76.4	-72.7	169.5	-157.7	0	112.4	L541 I576 W579 E590 F591 E597 L598	L541-K594 HydrophobicContact CD1-CB 4.44Å; L541-K594 HydrophobicContact CD2-CB 3.73Å; I576-K594 HydrophobicContact CD1-CB 4.06Å; I576-K594 HydrophobicContact CD1-CD 3.56Å; I576-K594 HydrophobicContact CD1-CG 4.39Å; W579-K594 HydrophobicContact CD2-CD 4.21Å; W579-K594 HydrophobicContact CD2-CG 4.12Å; W579-K594 HydrophobicContact CE3-CD 4.4Å; W579-K594 HydrophobicContact CE3-CG 3.95Å; W579-K594 HydrophobicContact CH2-CG 3.98Å; W579-K594 HydrophobicContact CZ2-CG 4.14Å; W579-K594 HydrophobicContact CZ3-CB 4.35Å; W579-K594 HydrophobicContact CZ3-CG 3.89Å; E590-K594 WeakPolarHBondContact O-CB 3.35Å; E590-K594 WeakPolarHBondContact O-CG 3.47Å; E590-K594 PolarHBondContact O-N 2.97Å; F591-K594 PolarHBondContact O-N 2.78Å; K594-E597 IonicContact NZ-OE1 2.95Å; K594-E597 PolarHBondContact NZ-OE1 3.38Å; K594-E597 VanDerWaalsContact NZ-OE1 3.12Å; K594-E597 IonicContact NZ-OE2 3.56Å; K594-E597 PolarHBondContact NZ-OE2 3.49Å; K594-E597 PolarHBondContact O-N 3.44Å; K594-L598 PolarHBondContact O-N 3.2Å
595	Q	92.4	Very high	89.8	Confident	34 Å²	34	57.3 Å²	57.3	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-48.3	171.5	-163.5	179.7	-37.1	0	0	111.1	S540 L541 F591 E592 H593 E597 L598 E599	S540-Q595 PolarHBondContact OG-OE1 2.8Å; L541-Q595 HydrophobicContact CB-CB 4.49Å; L541-Q595 VanDerWaalsContact CD1-CA 3.46Å; L541-Q595 HydrophobicContact CD1-CB 3.8Å; L541-Q595 HydrophobicContact CD1-CG 4.17Å; F591-Q595 WeakPolarHBondContact O-CB 3.49Å; F591-Q595 PolarHBondContact O-N 2.91Å; E592-Q595 PolarHBondContact O-N 3.45Å; H593-Q595 VanDerWaalsContact C-N 3.29Å; H593-Q595 PolarHBondContact O-N 3.28Å; Q595-E597 VanDerWaalsContact C-N 3.33Å; Q595-E597 PolarHBondContact O-N 3.03Å; Q595-L598 PolarHBondContact O-N 3.38Å; Q595-L598 VanDerWaalsContact O-N 3.17Å; Q595-E599 HydrophobicContact CG-CG 4.45Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.47Å; Q595-E599 PolarHBondContact NE2-OE1 3.02Å; Q595-E599 WeakPolarHBondContact O-CB 3.32Å; Q595-E599 VanDerWaalsContact O-CG 3.29Å; Q595-E599 WeakPolarHBondContact O-CG 3.42Å; Q595-E599 PolarHBondContact O-N 3.3Å
596	K	92.9	Very high	89.6	Confident	132 Å²	132	53.2 Å²	53.2	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-61.8	-37.8	175.9	-73	172.4	-175.7	168.2	0	112.8	E592 H593 E599 S600	E592-K596 WeakPolarHBondContact O-CG 3.34Å; E592-K596 PolarHBondContact O-N 2.92Å; H593-K596 PolarHBondContact O-N 2.93Å; K596-E599 PolarHBondContact O-N 3.37Å; K596-S600 VanDerWaalsContact O-CB 3.26Å; K596-S600 WeakPolarHBondContact O-CB 3.49Å; K596-S600 PolarHBondContact O-N 2.82Å
597	E	92.2	Very high	89.3	Confident	45 Å²	45	56.1 Å²	56.1	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-47.9	173.2	-80.1	-177.8	-151	0	0	110.7	K572 H593 K594 Q595 S600 V601	K572-E597 IonicContact NZ-OE2 2.81Å; K572-E597 PolarHBondContact NZ-OE2 2.99Å; H593-E597 IonicContact CE1-OE1 2.73Å; H593-E597 PolarHBondContact CE1-OE1 3.14Å; H593-E597 IonicContact ND1-OE1 3.42Å; H593-E597 PolarHBondContact ND1-OE1 3.16Å; H593-E597 PolarHBondContact O-N 3.25Å; K594-E597 IonicContact NZ-OE1 2.95Å; K594-E597 PolarHBondContact NZ-OE1 3.38Å; K594-E597 VanDerWaalsContact NZ-OE1 3.12Å; K594-E597 IonicContact NZ-OE2 3.56Å; K594-E597 PolarHBondContact NZ-OE2 3.49Å; K594-E597 PolarHBondContact O-N 3.44Å; Q595-E597 VanDerWaalsContact C-N 3.33Å; Q595-E597 PolarHBondContact O-N 3.03Å; E597-S600 PolarHBondContact O-N 2.83Å; E597-S600 PolarHBondContact O-OG 2.85Å; E597-V601 PolarHBondContact O-N 2.91Å
598	L	92.5	Very high	88.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-45.5	178.7	-176.7	56.9	0	0	0	111.7	Y544 A545 K572 I576 K594 Q595 S600 V601 C602	Y544-L598 HydrophobicContact CD1-CD2 3.64Å; Y544-L598 HydrophobicContact CD1-CG 4Å; Y544-L598 HydrophobicContact CE1-CB 4.43Å; Y544-L598 HydrophobicContact CE1-CD2 4.02Å; Y544-L598 HydrophobicContact CE1-CG 3.86Å; A545-L598 HydrophobicContact CB-CD2 3.83Å; K572-L598 HydrophobicContact CB-CD1 4.08Å; K572-L598 HydrophobicContact CG-CD1 3.71Å; I576-L598 HydrophobicContact CG1-CB 4.23Å; I576-L598 HydrophobicContact CG1-CD1 4.41Å; I576-L598 HydrophobicContact CG1-CD2 4.35Å; I576-L598 HydrophobicContact CG2-CD2 4.35Å; K594-L598 PolarHBondContact O-N 3.2Å; Q595-L598 PolarHBondContact O-N 3.38Å; Q595-L598 VanDerWaalsContact O-N 3.17Å; L598-S600 VanDerWaalsContact C-N 3.27Å; L598-S600 PolarHBondContact O-N 2.94Å; L598-V601 PolarHBondContact O-N 3.19Å; L598-C602 WeakPolarHBondContact O-CB 3.45Å; L598-C602 PolarHBondContact O-N 3.33Å; L598-C602 PolarHBondContact O-SG 3.39Å
599	E	91.9	Very high	87.7	Confident	51 Å²	51	57.5 Å²	57.5	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-36.9	173.5	-75	172.5	-176.4	0	0	112	Y544 Q595 K596 V601 C602 N603	Y544-E599 HydrophobicContact CD1-CG 4.42Å; Y544-E599 HydrophobicContact CE1-CG 3.68Å; Y544-E599 HydrophobicContact CE2-CG 4.45Å; Q595-E599 HydrophobicContact CG-CG 4.45Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.47Å; Q595-E599 PolarHBondContact NE2-OE1 3.02Å; Q595-E599 WeakPolarHBondContact O-CB 3.32Å; Q595-E599 VanDerWaalsContact O-CG 3.29Å; Q595-E599 WeakPolarHBondContact O-CG 3.42Å; Q595-E599 PolarHBondContact O-N 3.3Å; K596-E599 PolarHBondContact O-N 3.37Å; E599-V601 PolarHBondContact O-N 3.07Å; E599-C602 PolarHBondContact O-N 3.28Å; E599-N603 WeakPolarHBondContact O-CB 3.43Å; E599-N603 PolarHBondContact O-N 3.48Å; E599-N603 PolarHBondContact O-ND2 3.36Å
600	S	91	Very high	86.5	Confident	77 Å²	77	59.4 Å²	59.4	54%	0.538	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-26.4	179.7	77.2	0	0	0	0	113.2	K596 E597 L598 P604	K596-S600 VanDerWaalsContact O-CB 3.26Å; K596-S600 WeakPolarHBondContact O-CB 3.49Å; K596-S600 PolarHBondContact O-N 2.82Å; E597-S600 PolarHBondContact O-N 2.83Å; E597-S600 PolarHBondContact O-OG 2.85Å; L598-S600 VanDerWaalsContact C-N 3.27Å; L598-S600 PolarHBondContact O-N 2.94Å; S600-P604 WeakPolarHBondContact O-CD 3.47Å; S600-P604 WeakPolarHBondContact O-CG 3.44Å
601	V	89	Confident	85	Confident	40 Å²	40	61.7 Å²	61.7	24%	0.242	30%	0.3	C	S	.	.	H	α-helix	trans	-85.4	-45.8	173.4	178.1	0	0	0	0	110	K572 E597 L598 E599 I605	K572-V601 HydrophobicContact CB-CG1 4.43Å; K572-V601 HydrophobicContact CD-CG2 4.36Å; K572-V601 HydrophobicContact CG-CB 4.39Å; K572-V601 HydrophobicContact CG-CG2 4.11Å; E597-V601 PolarHBondContact O-N 2.91Å; L598-V601 PolarHBondContact O-N 3.19Å; E599-V601 PolarHBondContact O-N 3.07Å; V601-I605 HydrophobicContact CG1-CD1 4.33Å; V601-I605 VanDerWaalsContact O-CD1 3.32Å; V601-I605 WeakPolarHBondContact O-CD1 3.46Å; V601-I605 WeakPolarHBondContact O-CG1 3.1Å
602	C	86.5	Confident	83.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-72	-45.3	-174.3	-61.3	0	0	0	0	112.6	M548 L598 E599 I605 I606	M548-C602 HydrophobicContact CG-CB 4.5Å; L598-C602 WeakPolarHBondContact O-CB 3.45Å; L598-C602 PolarHBondContact O-N 3.33Å; L598-C602 PolarHBondContact O-SG 3.39Å; E599-C602 PolarHBondContact O-N 3.28Å; C602-I605 PolarHBondContact O-N 3.16Å; C602-I606 HydrophobicContact CB-CD1 4.23Å; C602-I606 VanDerWaalsContact O-CG1 3.3Å; C602-I606 WeakPolarHBondContact O-CG1 3.41Å; C602-I606 PolarHBondContact O-N 3.18Å
603	N	87.8	Confident	80.9	Confident	72 Å²	72	68.5 Å²	68.5	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-171	-69	-16.7	0	0	0	113.6	Y544 E599 I605 I606 T607	Y544-N603 PolarHBondContact OH-OD1 3.23Å; E599-N603 WeakPolarHBondContact O-CB 3.43Å; E599-N603 PolarHBondContact O-N 3.48Å; E599-N603 PolarHBondContact O-ND2 3.36Å; N603-I605 VanDerWaalsContact C-N 3.29Å; N603-I605 PolarHBondContact O-N 3.32Å; N603-I606 PolarHBondContact O-N 3.03Å; N603-T607 VanDerWaalsContact O-CB 3.26Å; N603-T607 WeakPolarHBondContact O-CB 3.43Å; N603-T607 PolarHBondContact O-N 3.22Å; N603-T607 PolarHBondContact O-OG1 3.05Å
604	P	85.3	Confident	78.1	Confident	66 Å²	66	66.3 Å²	66.3	43%	0.429	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-32.3	177	-23.2	35.3	0	0	0	113.2	S600 R608	S600-P604 WeakPolarHBondContact O-CD 3.47Å; S600-P604 WeakPolarHBondContact O-CG 3.44Å; P604-R608 WeakPolarHBondContact O-CB 3.28Å; P604-R608 VanDerWaalsContact O-CG 3.3Å; P604-R608 WeakPolarHBondContact O-CG 3.36Å; P604-R608 PolarHBondContact O-N 3.01Å; P604-R608 VanDerWaalsContact O-N 3.11Å; P604-R608 PolarHBondContact O-NE 3.32Å
605	I	82.2	Confident	75.1	Confident	5 Å²	5	69 Å²	69	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-69.3	-49.5	176.4	-66.1	171.3	0	0	0	109.6	L561 D565 I569 V601 C602 N603 T607 R608 M609	L561-I605 HydrophobicContact CD2-CG2 3.4Å; L561-I605 VanDerWaalsContact CD2-CG2 3.4Å; D565-I605 HydrophobicContact CB-CD1 4.15Å; D565-I605 HydrophobicContact CB-CG1 4.33Å; D565-I605 HydrophobicContact CB-CG2 3.75Å; I569-I605 HydrophobicContact CD1-CB 4.11Å; I569-I605 HydrophobicContact CD1-CD1 3.9Å; I569-I605 HydrophobicContact CD1-CG2 3.72Å; I569-I605 HydrophobicContact CG1-CD1 3.65Å; V601-I605 HydrophobicContact CG1-CD1 4.33Å; V601-I605 VanDerWaalsContact O-CD1 3.32Å; V601-I605 WeakPolarHBondContact O-CD1 3.46Å; V601-I605 WeakPolarHBondContact O-CG1 3.1Å; C602-I605 PolarHBondContact O-N 3.16Å; N603-I605 VanDerWaalsContact C-N 3.29Å; N603-I605 PolarHBondContact O-N 3.32Å; I605-T607 PolarHBondContact O-N 3.02Å; I605-R608 PolarHBondContact O-N 3.35Å; I605-M609 PolarHBondContact O-N 3.31Å; I605-M609 VanDerWaalsContact O-N 3.11Å
606	I	78.1	Confident	72.1	Confident	41 Å²	41	70.7 Å²	70.7	21%	0.21	42%	0.42	C	S	.	.	H	α-helix	trans	-64.9	-39.7	178.8	-65.1	170.2	0	0	0	111.1	M548 C602 N603 M609 Y610	M548-I606 HydrophobicContact SD-CD1 3.76Å; C602-I606 HydrophobicContact CB-CD1 4.23Å; C602-I606 VanDerWaalsContact O-CG1 3.3Å; C602-I606 WeakPolarHBondContact O-CG1 3.41Å; C602-I606 PolarHBondContact O-N 3.18Å; N603-I606 PolarHBondContact O-N 3.03Å; I606-M609 HydrophobicContact CG2-CE 4.39Å; I606-M609 VanDerWaalsContact O-CB 3.31Å; I606-M609 WeakPolarHBondContact O-CB 3.27Å; I606-M609 PolarHBondContact O-N 3.29Å; I606-Y610 HydrophobicContact CG2-CD2 3.86Å; I606-Y610 HydrophobicContact CG2-CE2 3.64Å; I606-Y610 VanDerWaalsContact O-CD2 3.23Å; I606-Y610 WeakPolarHBondContact O-CD2 3.3Å; I606-Y610 PolarHBondContact O-N 3.22Å; I606-Y610 VanDerWaalsContact O-N 3.14Å
607	T	78.6	Confident	69	Low	68 Å²	68	73.4 Å²	73.4	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-42.8	178.4	-56.8	0	0	0	0	111.7	N603 I605 M609 Y610 Q611	N603-T607 VanDerWaalsContact O-CB 3.26Å; N603-T607 WeakPolarHBondContact O-CB 3.43Å; N603-T607 PolarHBondContact O-N 3.22Å; N603-T607 PolarHBondContact O-OG1 3.05Å; I605-T607 PolarHBondContact O-N 3.02Å; T607-M609 PolarHBondContact O-N 2.98Å; T607-Y610 PolarHBondContact O-N 2.63Å; T607-Q611 HydrophobicContact CG2-CG 4.2Å; T607-Q611 WeakPolarHBondContact O-CB 3.4Å; T607-Q611 WeakPolarHBondContact O-CG 3.46Å; T607-Q611 PolarHBondContact O-N 3.49Å
608	R	75.8	Confident	66.5	Low	136 Å²	136	77.1 Å²	77.1	51%	0.513	47%	0.465	S	S	.	.	H	α-helix	trans	-60.2	-38.2	174.6	-79.3	-175.6	-67.9	151.1	1.6	111.6	D565 P604 I605 Y610 Q611 G612	D565-R608 IonicContact OD1-CZ 3.27Å; D565-R608 IonicContact OD1-NH1 3.42Å; D565-R608 IonicContact OD1-NH2 2.89Å; D565-R608 PolarHBondContact OD1-NH2 2.79Å; D565-R608 IonicContact OD2-NH2 2.78Å; P604-R608 WeakPolarHBondContact O-CB 3.28Å; P604-R608 VanDerWaalsContact O-CG 3.3Å; P604-R608 WeakPolarHBondContact O-CG 3.36Å; P604-R608 PolarHBondContact O-N 3.01Å; P604-R608 VanDerWaalsContact O-N 3.11Å; P604-R608 PolarHBondContact O-NE 3.32Å; I605-R608 PolarHBondContact O-N 3.35Å; R608-Y610 PolarHBondContact O-N 3.43Å; R608-Q611 PolarHBondContact O-N 2.9Å; R608-G612 PolarHBondContact O-N 3.34Å; R608-G612 VanDerWaalsContact O-N 3.14Å
609	M	67.7	Low	63.4	Low	32 Å²	32	81.3 Å²	81.3	16%	0.158	51%	0.508	C	S	.	.	H	α-helix	trans	-60.5	-42.8	175.4	-175.8	-167.3	73.5	0	0	112.1	L557 K560 L561 I605 I606 T607	L557-M609 HydrophobicContact CD2-CE 3.79Å; L557-M609 HydrophobicContact CD2-SD 3.37Å; L557-M609 WeakPolarHBondContact CD2-SD 3.26Å; K560-M609 HydrophobicContact CB-CG 4.14Å; K560-M609 HydrophobicContact CB-SD 4.35Å; K560-M609 HydrophobicContact CD-CG 4.49Å; L561-M609 HydrophobicContact CD2-CB 4.48Å; L561-M609 HydrophobicContact CD2-SD 4.44Å; L561-M609 HydrophobicContact CG-SD 4.36Å; I605-M609 PolarHBondContact O-N 3.31Å; I605-M609 VanDerWaalsContact O-N 3.11Å; I606-M609 HydrophobicContact CG2-CE 4.39Å; I606-M609 VanDerWaalsContact O-CB 3.31Å; I606-M609 WeakPolarHBondContact O-CB 3.27Å; I606-M609 PolarHBondContact O-N 3.29Å; T607-M609 PolarHBondContact O-N 2.98Å
610	Y	67.4	Low	60.5	Low	153 Å²	153	82.5 Å²	82.5	60%	0.6	53%	0.534	S	S	*	.	H	α-helix	trans	-76.9	-35.4	177.2	-75.9	-71	0	0	0	113.7	I606 T607 R608 G612 E613	I606-Y610 HydrophobicContact CG2-CD2 3.86Å; I606-Y610 HydrophobicContact CG2-CE2 3.64Å; I606-Y610 VanDerWaalsContact O-CD2 3.23Å; I606-Y610 WeakPolarHBondContact O-CD2 3.3Å; I606-Y610 PolarHBondContact O-N 3.22Å; I606-Y610 VanDerWaalsContact O-N 3.14Å; T607-Y610 PolarHBondContact O-N 2.63Å; R608-Y610 PolarHBondContact O-N 3.43Å; Y610-G612 PolarHBondContact O-N 3.3Å; Y610-E613 PolarHBondContact O-N 2.76Å
611	Q	61	Low	57.6	Low	139 Å²	139	87.8 Å²	87.8	65%	0.65	55%	0.552	S	S	*	*	H	α-helix	trans	-67.4	-23.4	177.4	-75.4	-178.1	-15.9	0	0	112.8	T607 R608 E613 G614	T607-Q611 HydrophobicContact CG2-CG 4.2Å; T607-Q611 WeakPolarHBondContact O-CB 3.4Å; T607-Q611 WeakPolarHBondContact O-CG 3.46Å; T607-Q611 PolarHBondContact O-N 3.49Å; R608-Q611 PolarHBondContact O-N 2.9Å; Q611-E613 PolarHBondContact O-N 3.33Å; Q611-E613 VanDerWaalsContact O-N 3.14Å; Q611-G614 PolarHBondContact O-N 3.13Å; Q611-G614 VanDerWaalsContact O-N 3.1Å
612	G	55.5	Low	55.5	Low	71 Å²	71	91.8 Å²	91.8	73%	0.732	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-15.9	171.3	0	0	0	0	0	114.8	R608 Y610	R608-G612 PolarHBondContact O-N 3.34Å; R608-G612 VanDerWaalsContact O-N 3.14Å; Y610-G612 PolarHBondContact O-N 3.3Å
613	E	42.9	Very low	52.6	Low	138 Å²	138	95.7 Å²	95.7	65%	0.645	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-6.4	176.4	-76.9	177	177.6	0	0	113.5	K560 Y610 Q611	K560-E613 IonicContact NZ-OE1 2.65Å; K560-E613 PolarHBondContact NZ-OE1 3.38Å; Y610-E613 PolarHBondContact O-N 2.76Å; Q611-E613 PolarHBondContact O-N 3.33Å; Q611-E613 VanDerWaalsContact O-N 3.14Å
614	G	35.7	Very low	49.7	Very low	62 Å²	62	96.2 Å²	96.2	64%	0.639	64%	0.642	S	S	*	*			trans	-106.3	41.9	-167.7	0	0	0	0	0	116.4	Q611 G616	Q611-G614 PolarHBondContact O-N 3.13Å; Q611-G614 VanDerWaalsContact O-N 3.1Å; G614-G616 PolarHBondContact O-N 3.42Å
615	G	30.4	Very low	47	Very low	87 Å²	87	101.9 Å²	101.9	90%	0.897	67%	0.665	S	S	*	*			trans	-82.7	87.4	173.4	0	0	0	0	0	112.7
616	G	28.8	Very low	45.3	Very low	69 Å²	69	106.3 Å²	106.3	71%	0.711	69%	0.694	S	S	*	*			trans	158.6	88.5	162.7	0	0	0	0	0	117.1	G614	G614-G616 PolarHBondContact O-N 3.42Å
617	M	28.2	Very low	42.8	Very low	190 Å²	190	111.3 Å²	111.3	94%	0.936	72%	0.721	S	S	*	*			trans	176.4	132.6	132.2	-95.3	-102.8	-126.8	0	0	111.3
618	P	39.2	Very low	40.4	Very low	123 Å²	123	118.3 Å²	118.3	80%	0.799	75%	0.746	S	S	*	*			trans	-101.2	145.1	-174.1	36.4	-30.1	0	0	0	114.6
619	G	28	Very low	37.9	Very low	87 Å²	87	116.4 Å²	116.4	90%	0.897	76%	0.759	S	S	*	*			trans	92	114.8	145.1	0	0	0	0	0	117.9
620	G	31.2	Very low	35.8	Very low	76 Å²	76	118.1 Å²	118.1	78%	0.784	79%	0.786	S	S	*	*			trans	174.3	46.4	171.7	0	0	0	0	0	118.9
621	M	30.8	Very low	33.8	Very low	189 Å²	189	116.2 Å²	116.2	93%	0.931	80%	0.802	S	S	*	*			trans	63.4	139	149.1	-140.3	161.4	-172.7	0	0	122
622	P	44.2	Very low	32.1	Very low	123 Å²	123	113.3 Å²	113.3	80%	0.799	81%	0.809	S	S	*	*			trans	-105.5	157.9	-171.1	39.7	-30.4	0	0	0	114.3
623	G	26.5	Very low	30.7	Very low	82 Å²	82	113.5 Å²	113.5	85%	0.845	81%	0.81	S	S	*	*			trans	152.6	127.7	154.1	0	0	0	0	0	115.5
624	G	27.1	Very low	30.6	Very low	83 Å²	83	112.3 Å²	112.3	86%	0.856	82%	0.815	S	S	*	*			trans	119.6	91.5	150.7	0	0	0	0	0	116.1
625	M	26.8	Very low	30.1	Very low	185 Å²	185	118.3 Å²	118.3	91%	0.911	83%	0.826	S	S	*	*			trans	-76.1	-173.4	170.3	-135.7	-167.7	-171.8	0	0	111.2
626	P	47.3	Very low	29.8	Very low	99 Å²	99	118.3 Å²	118.3	64%	0.643	83%	0.826	S	S	*	*				-113.3	-169	-121.8	38.9	-19.4	0	0	0	114.1
627	N	25	Very low	29.7	Very low	146 Å²	146	118.1 Å²	118.1	78%	0.781	82%	0.824	S	S	*	*			trans	79	113.6	169.4	-73.1	-10.7	0	0	0	116.6
628	F	28.1	Very low	29.5	Very low	214 Å²	214	115 Å²	115	94%	0.939	82%	0.821	S	S	*	*				-156	101	119.8	-111	-81	0	0	0	109
629	A	23.6	Very low	28.8	Very low	96 Å²	96	120.7 Å²	120.7	79%	0.793	83%	0.827	S	S	*	*			trans	-67.2	140.6	150.7	0	0	0	0	0	108
630	G	24.1	Very low	28.9	Very low	69 Å²	69	122.5 Å²	122.5	71%	0.711	82%	0.822	S	S	*	*			trans	140.1	106.6	158.7	0	0	0	0	0	115.7
631	A	24.6	Very low	28.8	Very low	113 Å²	113	122.5 Å²	122.5	93%	0.934	82%	0.822	S	S	*	*			trans	70.7	126.7	136.5	0	0	0	0	0	118.8
632	G	25.4	Very low	28.8	Very low	78 Å²	78	118.8 Å²	118.8	80%	0.804	82%	0.822	S	S	*	*			trans	157.6	58.9	151.8	0	0	0	0	0	118.4
633	G	27.2	Very low	27.8	Very low	74 Å²	74	116.3 Å²	116.3	76%	0.763	82%	0.819	S	S	*	*			trans	74.3	166.8	131.6	0	0	0	0	0	120.4
634	P	40.9	Very low	27.9	Very low	114 Å²	114	116.3 Å²	116.3	74%	0.74	82%	0.818	S	S	*	*			trans	-114.3	-177.5	-150	38.4	-24.5	0	0	0	114
635	Q	24.7	Very low	27.8	Very low	188 Å²	188	115.2 Å²	115.2	88%	0.879	81%	0.807	S	S	*	*			trans	87.4	115.2	171.4	-55.3	175.3	15.2	0	0	112.3
636	G	24.3	Very low	28	Very low	86 Å²	86	112.3 Å²	112.3	89%	0.887	80%	0.802	S	S	*	*				108.3	84.2	52.5	0	0	0	0	0	105.9
637	G	25.8	Very low	27.1	Very low	65 Å²	65	113.7 Å²	113.7	67%	0.67	81%	0.809	S	S	*	*			trans	-165.3	75.9	-171.8	0	0	0	0	0	110.9	R639	G637-R639 PolarHBondContact O-N 3.19Å
638	S	24.2	Very low	27.3	Very low	125 Å²	125	114 Å²	114	87%	0.874	81%	0.809	S	S	*	*			trans	-11.3	113.7	155.5	42.2	0	0	0	0	115.5
639	R	24.3	Very low	27.4	Very low	243 Å²	243	112.3 Å²	112.3	92%	0.917	80%	0.804	S	S	*	*			trans	-122.7	124.9	158.2	-106.1	-177.7	175.6	173.3	-0.8	110	G637	G637-R639 PolarHBondContact O-N 3.19Å
640	P	31.5	Very low	28.3	Very low	125 Å²	125	115.8 Å²	115.8	81%	0.812	80%	0.803	S	S	*	*			trans	-84.5	157.8	-177.4	34.3	-33.1	0	0	0	111.8
641	G	29.4	Very low	29.9	Very low	76 Å²	76	118 Å²	118	78%	0.784	81%	0.809	S	S	*	*			trans	83.1	81.2	159.5	0	0	0	0	0	114.4	G643	G641-G643 VanDerWaalsContact C-N 3.25Å; G641-G643 PolarHBondContact O-N 3.05Å
642	A	29	Very low	32.2	Very low	111 Å²	111	113.6 Å²	113.6	92%	0.917	77%	0.774	S	S	*	*			trans	-63.6	89.4	160.8	0	0	0	0	0	109
643	G	25	Very low	35.2	Very low	71 Å²	71	110.4 Å²	110.4	73%	0.732	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-63	129.4	162.5	0	0	0	0	0	108.7	G641 G645	G641-G643 VanDerWaalsContact C-N 3.25Å; G641-G643 PolarHBondContact O-N 3.05Å; G643-G645 PolarHBondContact O-N 3.39Å; G643-G645 VanDerWaalsContact O-N 3.15Å
644	G	27	Very low	38.3	Very low	81 Å²	81	107.8 Å²	107.8	84%	0.835	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-52.4	116.1	-177.2	0	0	0	0	0	112
645	G	26.6	Very low	40.9	Very low	60 Å²	60	102.3 Å²	102.3	62%	0.619	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-65.8	147	158.9	0	0	0	0	0	109.3	G643 T647	G643-G645 PolarHBondContact O-N 3.39Å; G643-G645 VanDerWaalsContact O-N 3.15Å; G645-T647 PolarHBondContact O-N 2.79Å
646	P	29.2	Very low	44.3	Very low	125 Å²	125	93.4 Å²	93.4	81%	0.812	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-64.2	125.4	-170	28.8	-34.5	0	0	0	109.7	I648	P646-I648 PolarHBondContact O-N 2.74Å; P646-I648 VanDerWaalsContact O-N 3.15Å
647	T	28.6	Very low	47.8	Very low	127 Å²	127	89.3 Å²	89.3	78%	0.779	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-53.9	117.3	166.3	37.8	0	0	0	0	108.3	G645 E649	G645-T647 PolarHBondContact O-N 2.79Å; T647-E649 PolarHBondContact O-N 2.82Å
648	I	29.5	Very low	51.1	Low	152 Å²	152	86.2 Å²	86.2	78%	0.779	56%	0.556	S	S	*	*			trans	-57.9	108.9	163.1	-62.1	171.2	0	0	0	105	P646 E650	P646-I648 PolarHBondContact O-N 2.74Å; P646-I648 VanDerWaalsContact O-N 3.15Å; I648-E650 PolarHBondContact O-N 2.68Å
649	E	31.6	Very low	54.4	Low	180 Å²	180	80.5 Å²	80.5	84%	0.841	52%	0.517	S	S	*	.			trans	-58.9	105.2	168	-78.1	-175.6	150.5	0	0	107.3	T647 S651	T647-E649 PolarHBondContact O-N 2.82Å; E649-S651 PolarHBondContact O-N 3.35Å
650	E	41.2	Very low	57.7	Low	168 Å²	168	69 Å²	69	79%	0.785	47%	0.474	S	S	*	.			trans	-68.2	90.9	-177.6	-67.6	-177.5	165.9	0	0	109.9	I648	I648-E650 PolarHBondContact O-N 2.68Å
651	S	57.4	Low	60.5	Low	117 Å²	117	64 Å²	64	82%	0.818	44%	0.442	S	S	*	.			trans	-78.4	131	176.9	56.2	0	0	0	0	111.6	E649	E649-S651 PolarHBondContact O-N 3.35Å
652	G	74.6	Confident	63.3	Low	20 Å²	20	61.9 Å²	61.9	21%	0.206	42%	0.42	C	S	.	.			trans	151.6	159.3	175.3	0	0	0	0	0	113.8	L677 R679	G652-L677 WeakPolarHBondContact CA-O 3.46Å; G652-R679 WeakPolarHBondContact O-CD 3.31Å; G652-R679 WeakPolarHBondContact O-CG 3.46Å; G652-R679 PolarHBondContact O-NE 2.97Å
653	A	86.7	Confident	66	Low	10 Å²	10	59 Å²	59	8%	0.083	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	147.9	-178.3	0	0	0	0	0	112.6	V655 L677 I678 R679 H680 D722 L900	A653-V655 HydrophobicContact CB-CG2 4.49Å; A653-L677 PolarHBondContact N-O 2.88Å; A653-I678 WeakPolarHBondContact O-CA 3.19Å; A653-R679 WeakPolarHBondContact O-CG 3.28Å; A653-R679 PolarHBondContact O-N 3.5Å; A653-H680 PolarHBondContact O-N 2.86Å; A653-D722 WeakPolarHBondContact CA-OD2 3.02Å; A653-D722 HydrophobicContact CB-CB 4.2Å; A653-L900 HydrophobicContact CB-CD2 3.47Å; A653-L900 VanDerWaalsContact CB-CD2 3.47Å
654	K	93.8	Very high	69.1	Low	19 Å²	19	57 Å²	57	8%	0.083	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.4	163	179.1	172.5	-180	-179.8	0	109.3	H680 E719 G720 D722 V723	K654-H680 CarbonylContact C-O 3.6Å; K654-H680 VanDerWaalsContact CA-O 3.26Å; K654-H680 WeakPolarHBondContact CA-O 3.48Å; K654-H680 HydrophobicContact CB-CB 4.18Å; K654-H680 HydrophobicContact CD-CB 4.47Å; K654-H680 HydrophobicContact CG-CB 4.02Å; K654-E719 WeakPolarHBondContact CE-O 3.37Å; K654-E719 PolarHBondContact NZ-O 2.98Å; K654-G720 WeakPolarHBondContact CD-O 3.43Å; K654-D722 PolarHBondContact N-OD2 3.23Å; K654-D722 PolarHBondContact O-N 3.41Å; K654-V723 PolarHBondContact O-N 3.16Å
655	V	94.7	Very high	72.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.9	179.9	-178.3	0	0	0	0	109.5	A653 L672 I678 H680 L681 S682 V723 L725 L900	A653-V655 HydrophobicContact CB-CG2 4.49Å; V655-L672 HydrophobicContact CG1-CD1 4.48Å; V655-I678 HydrophobicContact CB-CD1 4.07Å; V655-I678 HydrophobicContact CB-CG2 4.47Å; V655-I678 HydrophobicContact CG2-CD1 3.64Å; V655-I678 HydrophobicContact CG2-CG1 3.73Å; V655-I678 HydrophobicContact CG2-CG2 4.3Å; V655-H680 PolarHBondContact N-O 3.47Å; V655-L681 HydrophobicContact CB-CD1 4.43Å; V655-L681 WeakPolarHBondContact O-CA 3.34Å; V655-S682 PolarHBondContact O-N 3.16Å; V655-V723 CarbonylContact C-O 3.59Å; V655-V723 WeakPolarHBondContact CA-O 3.41Å; V655-V723 HydrophobicContact CG1-CB 4.5Å; V655-V723 HydrophobicContact CG2-CB 4.3Å; V655-L725 HydrophobicContact CG1-CD1 4.18Å; V655-L725 HydrophobicContact CG1-CG 4.38Å; V655-L900 HydrophobicContact CG2-CD1 4.35Å; V655-L900 HydrophobicContact CG2-CD2 4.29Å
656	A	96.4	Very high	75.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.2	174.6	0	0	0	0	0	111.5	S682 L718 A721 V723 I724 L725	A656-S682 CarbonylContact C-O 3.58Å; A656-S682 VanDerWaalsContact CA-O 3.22Å; A656-S682 WeakPolarHBondContact CA-O 3.29Å; A656-L718 HydrophobicContact CB-CD2 4.41Å; A656-A721 HydrophobicContact CB-CB 4.05Å; A656-V723 PolarHBondContact N-O 3.23Å; A656-I724 HydrophobicContact CB-CG1 4.2Å; A656-I724 CarbonylContact O-C 3.6Å; A656-I724 WeakPolarHBondContact O-CA 3.39Å; A656-L725 PolarHBondContact O-N 3.41Å
657	V	96.5	Very high	78.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.3	173.9	-178.7	0	0	0	0	109.2	A660 M668 L672 L681 S682 L683 Y684 L725 P727	V657-A660 HydrophobicContact CB-CB 4.28Å; V657-A660 HydrophobicContact CG1-CB 4.01Å; V657-M668 HydrophobicContact CB-CE 4.46Å; V657-M668 HydrophobicContact CG1-CE 3.49Å; V657-M668 VanDerWaalsContact CG1-CE 3.49Å; V657-M668 HydrophobicContact CG2-CE 4.17Å; V657-L672 HydrophobicContact CG2-CD1 3.65Å; V657-L681 HydrophobicContact CG2-CD1 4Å; V657-S682 PolarHBondContact N-O 3.19Å; V657-L683 HydrophobicContact CB-CD2 4.1Å; V657-L683 HydrophobicContact CG2-CD2 4.31Å; V657-Y684 PolarHBondContact O-N 2.87Å; V657-L725 HydrophobicContact CG2-CD1 4.48Å; V657-P727 HydrophobicContact CG1-CG 4.06Å
658	L	96.4	Very high	81.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.8	179	-48.3	-174.1	0	0	0	110	Y684 L714 L718 I724 L725 I726 P727 A728 L752 V756	L658-Y684 HydrophobicContact CB-CD1 4.36Å; L658-Y684 HydrophobicContact CD2-CD1 3.99Å; L658-Y684 HydrophobicContact CD2-CG 4.08Å; L658-L714 HydrophobicContact CD1-CD1 4.43Å; L658-L714 HydrophobicContact CD2-CD1 4.13Å; L658-L718 HydrophobicContact CD1-CD2 4.16Å; L658-L718 HydrophobicContact CD2-CD2 3.97Å; L658-I724 HydrophobicContact CD1-CG2 3.8Å; L658-I724 HydrophobicContact CG-CG2 3.92Å; L658-L725 PolarHBondContact N-O 2.68Å; L658-I726 HydrophobicContact CB-CG1 4.37Å; L658-I726 HydrophobicContact CD1-CD1 3.94Å; L658-I726 HydrophobicContact CD1-CG1 4.01Å; L658-I726 HydrophobicContact CG-CG1 4.35Å; L658-P727 WeakPolarHBondContact O-CD 3.03Å; L658-A728 VanDerWaalsContact O-CB 3.24Å; L658-A728 WeakPolarHBondContact O-CB 3.46Å; L658-A728 PolarHBondContact O-N 2.98Å; L658-A728 VanDerWaalsContact O-N 3.08Å; L658-L752 HydrophobicContact CB-CD1 3.99Å; L658-L752 HydrophobicContact CB-CD2 4.35Å; L658-L752 HydrophobicContact CD1-CB 4.04Å; L658-L752 HydrophobicContact CD1-CD1 4.39Å; L658-L752 HydrophobicContact CD1-CD2 4.14Å; L658-L752 HydrophobicContact CD1-CG 4.42Å; L658-V756 HydrophobicContact CD1-CG2 4.27Å
659	G	93.3	Very high	84.6	Confident	6 Å²	6	37.1 Å²	37.1	6%	0.062	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	30.8	-167	0	0	0	0	0	112.9	S661 G662 G665 Y684 D685	G659-S661 PolarHBondContact O-N 3.3Å; G659-G662 PolarHBondContact O-N 3.33Å; G659-G662 VanDerWaalsContact O-N 3.17Å; G659-G665 WeakPolarHBondContact O-CA 3.33Å; G659-Y684 PolarHBondContact N-O 2.97Å; G659-D685 WeakPolarHBondContact CA-OD2 3.36Å
660	A	92.5	Very high	87.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	-173.2	0	0	0	0	0	114.1	V657 G665 Q666 L683 Y684 D685 T689	V657-A660 HydrophobicContact CB-CB 4.28Å; V657-A660 HydrophobicContact CG1-CB 4.01Å; A660-G665 CarbonylContact O-C 3.53Å; A660-G665 VanDerWaalsContact O-C 3.29Å; A660-Q666 WeakPolarHBondContact O-CA 3.44Å; A660-Q666 VanDerWaalsContact O-CG 3.25Å; A660-Q666 WeakPolarHBondContact O-CG 3.22Å; A660-Q666 PolarHBondContact O-N 2.8Å; A660-L683 HydrophobicContact CB-CB 3.77Å; A660-L683 HydrophobicContact CB-CD2 3.96Å; A660-L683 HydrophobicContact CB-CG 4.36Å; A660-Y684 PolarHBondContact N-O 3.38Å; A660-D685 PolarHBondContact N-OD2 3.21Å; A660-T689 HydrophobicContact CB-CG2 3.98Å
661	S	90.4	Very high	90	Very high	22 Å²	22	27 Å²	27	15%	0.154	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.7	177.1	-58.4	0	0	0	0	112.8	G659 Q666 D685 V687 T689	G659-S661 PolarHBondContact O-N 3.3Å; S661-Q666 PolarHBondContact O-NE2 3.4Å; S661-D685 WeakPolarHBondContact CA-OD2 3.4Å; S661-D685 VanDerWaalsContact CB-OD2 3.27Å; S661-D685 WeakPolarHBondContact CB-OD2 3.35Å; S661-D685 PolarHBondContact N-OD2 3.08Å; S661-V687 PolarHBondContact OG-O 3.12Å; S661-T689 VanDerWaalsContact OG-CA 3.23Å; S661-T689 WeakPolarHBondContact OG-CA 3.46Å; S661-T689 PolarHBondContact OG-N 2.81Å; S661-T689 PolarHBondContact OG-OG1 3.03Å
662	G	88.1	Confident	91.6	Very high	31 Å²	31	21.4 Å²	21.4	32%	0.32	14%	0.14	S	C	.	.	S	Bend	trans	-74.8	166.7	179.3	0	0	0	0	0	114	G659 I664 G665 Q666	G659-G662 PolarHBondContact O-N 3.33Å; G659-G662 VanDerWaalsContact O-N 3.17Å; G662-I664 PolarHBondContact O-N 2.89Å; G662-I664 VanDerWaalsContact O-N 3.14Å; G662-G665 PolarHBondContact O-N 3.33Å; G662-Q666 PolarHBondContact O-N 3.24Å
663	G	87	Confident	92.4	Very high	51 Å²	51	20.9 Å²	20.9	53%	0.526	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.5	-177.2	0	0	0	0	0	115.2	P667 T876	G663-P667 WeakPolarHBondContact O-CD 3.32Å; G663-P667 VanDerWaalsContact O-CG 3.29Å; G663-P667 WeakPolarHBondContact O-CG 3.48Å; G663-T876 WeakPolarHBondContact O-CB 3.49Å
664	I	89.6	Confident	92.5	Very high	28 Å²	28	23.8 Å²	23.8	14%	0.144	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-41	169.8	-58.9	169.4	0	0	0	110.2	G662 P667 M668 P727 T876 M879 A880	G662-I664 PolarHBondContact O-N 2.89Å; G662-I664 VanDerWaalsContact O-N 3.14Å; I664-P667 WeakPolarHBondContact O-CD 3.49Å; I664-P667 WeakPolarHBondContact O-CG 3.45Å; I664-M668 WeakPolarHBondContact O-CB 3.4Å; I664-M668 PolarHBondContact O-N 3.23Å; I664-M668 VanDerWaalsContact O-N 3.14Å; I664-P727 HydrophobicContact CB-CB 4.09Å; I664-P727 HydrophobicContact CG2-CB 3.8Å; I664-T876 HydrophobicContact CG1-CG2 4.13Å; I664-M879 HydrophobicContact CD1-CB 4.06Å; I664-M879 HydrophobicContact CD1-CG 4.44Å; I664-M879 HydrophobicContact CD1-SD 3.56Å; I664-M879 VanDerWaalsContact CD1-SD 3.56Å; I664-M879 HydrophobicContact CG1-CB 4.15Å; I664-M879 HydrophobicContact CG1-SD 4.25Å; I664-M879 HydrophobicContact CG2-CB 4.15Å; I664-A880 HydrophobicContact CG2-CB 4.16Å; I664-A880 WeakPolarHBondContact O-CB 3.36Å
665	G	92.2	Very high	92.1	Very high	1 Å²	1	23 Å²	23	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-50.6	-175.2	0	0	0	0	0	113.4	G659 A660 G662 M668 S669	G659-G665 WeakPolarHBondContact O-CA 3.33Å; A660-G665 CarbonylContact O-C 3.53Å; A660-G665 VanDerWaalsContact O-C 3.29Å; G662-G665 PolarHBondContact O-N 3.33Å; G665-M668 PolarHBondContact O-N 3.3Å; G665-S669 WeakPolarHBondContact O-CB 3.45Å; G665-S669 PolarHBondContact O-N 2.92Å; G665-S669 PolarHBondContact O-OG 3.41Å
666	Q	93.6	Very high	91.5	Very high	95 Å²	95	27.5 Å²	27.5	44%	0.444	18%	0.175	S	C	.	.	H	α-helix	trans	-59.2	-55.8	-176.9	-67.2	-177.2	14.9	0	0	113.3	A660 S661 G662 M668 S669 L670 V692	A660-Q666 WeakPolarHBondContact O-CA 3.44Å; A660-Q666 VanDerWaalsContact O-CG 3.25Å; A660-Q666 WeakPolarHBondContact O-CG 3.22Å; A660-Q666 PolarHBondContact O-N 2.8Å; S661-Q666 PolarHBondContact O-NE2 3.4Å; G662-Q666 PolarHBondContact O-N 3.24Å; Q666-M668 PolarHBondContact O-N 2.89Å; Q666-S669 PolarHBondContact O-N 3.27Å; Q666-L670 PolarHBondContact O-N 3.2Å; Q666-V692 HydrophobicContact CG-CG1 4.29Å; Q666-V692 HydrophobicContact CG-CG2 4.1Å
667	P	93.4	Very high	91	Very high	32 Å²	32	29.5 Å²	29.5	21%	0.208	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-32.1	177.7	22.6	-32	0	0	0	112.2	G663 I664 L670 L671 L877 A880	G663-P667 WeakPolarHBondContact O-CD 3.32Å; G663-P667 VanDerWaalsContact O-CG 3.29Å; G663-P667 WeakPolarHBondContact O-CG 3.48Å; I664-P667 WeakPolarHBondContact O-CD 3.49Å; I664-P667 WeakPolarHBondContact O-CG 3.45Å; P667-L670 PolarHBondContact O-N 2.87Å; P667-L671 VanDerWaalsContact O-CG 3.29Å; P667-L671 WeakPolarHBondContact O-CG 3.42Å; P667-L671 PolarHBondContact O-N 3Å; P667-L671 VanDerWaalsContact O-N 3.09Å; P667-L877 HydrophobicContact CB-CD2 4.11Å; P667-L877 HydrophobicContact CG-CD2 4.16Å; P667-A880 HydrophobicContact CB-CB 3.96Å; P667-A880 HydrophobicContact CG-CB 3.69Å
668	M	93.1	Very high	90.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68	-41.9	176	-170.6	175.5	67.4	0	0	111.5	V657 I664 G665 Q666 L670 L671 L672 L725 P727 I768 A880 M884	V657-M668 HydrophobicContact CB-CE 4.46Å; V657-M668 HydrophobicContact CG1-CE 3.49Å; V657-M668 VanDerWaalsContact CG1-CE 3.49Å; V657-M668 HydrophobicContact CG2-CE 4.17Å; I664-M668 WeakPolarHBondContact O-CB 3.4Å; I664-M668 PolarHBondContact O-N 3.23Å; I664-M668 VanDerWaalsContact O-N 3.14Å; G665-M668 PolarHBondContact O-N 3.3Å; Q666-M668 PolarHBondContact O-N 2.89Å; M668-L670 VanDerWaalsContact C-N 3.32Å; M668-L670 PolarHBondContact O-N 3.03Å; M668-L671 PolarHBondContact O-N 3.15Å; M668-L672 HydrophobicContact CG-CD1 3.92Å; M668-L672 HydrophobicContact CG-CG 4.44Å; M668-L672 WeakPolarHBondContact O-CB 3.34Å; M668-L672 WeakPolarHBondContact O-CD1 3.33Å; M668-L672 VanDerWaalsContact O-CG 3.22Å; M668-L672 WeakPolarHBondContact O-CG 3.42Å; M668-L672 PolarHBondContact O-N 3.48Å; M668-L725 HydrophobicContact CE-CB 3.93Å; M668-L725 HydrophobicContact CE-CD1 4.06Å; M668-L725 HydrophobicContact SD-CD1 4.04Å; M668-P727 HydrophobicContact CE-CB 4.2Å; M668-P727 HydrophobicContact CE-CG 3.62Å; M668-I768 HydrophobicContact CE-CD1 4.27Å; M668-I768 HydrophobicContact SD-CD1 3.69Å; M668-A880 HydrophobicContact CB-CB 3.92Å; M668-M884 HydrophobicContact CG-CB 4.48Å
669	S	94.5	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-37.1	176.1	-65.9	0	0	0	0	112.1	G665 Q666 L672 K673 L681 L683	G665-S669 WeakPolarHBondContact O-CB 3.45Å; G665-S669 PolarHBondContact O-N 2.92Å; G665-S669 PolarHBondContact O-OG 3.41Å; Q666-S669 PolarHBondContact O-N 3.27Å; S669-L672 PolarHBondContact O-N 3.21Å; S669-K673 WeakPolarHBondContact O-CB 3.3Å; S669-K673 PolarHBondContact O-N 3.27Å; S669-L681 WeakPolarHBondContact O-CD2 3.41Å; S669-L683 VanDerWaalsContact OG-CD2 3.24Å; S669-L683 WeakPolarHBondContact OG-CD2 3.49Å
670	L	94.2	Very high	90.5	Very high	84 Å²	84	35.1 Å²	35.1	44%	0.44	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-50.3	170.8	175.2	61.5	0	0	0	111.8	Q666 P667 M668 L672 K673 V674 L696 I699	Q666-L670 PolarHBondContact O-N 3.2Å; P667-L670 PolarHBondContact O-N 2.87Å; M668-L670 VanDerWaalsContact C-N 3.32Å; M668-L670 PolarHBondContact O-N 3.03Å; L670-L672 VanDerWaalsContact C-N 3.28Å; L670-L672 PolarHBondContact O-N 3.21Å; L670-K673 PolarHBondContact O-N 2.98Å; L670-V674 PolarHBondContact O-N 2.94Å; L670-L696 HydrophobicContact CB-CD2 4.09Å; L670-L696 HydrophobicContact CD1-CD2 4.06Å; L670-I699 HydrophobicContact CD1-CD1 3.37Å
671	L	91.2	Very high	90.6	Very high	51 Å²	51	35.1 Å²	35.1	27%	0.267	21%	0.206	S	C	.	.	H	α-helix	trans	-64.9	-31.8	179.8	-65.1	169.6	0	0	0	112.5	P667 M668 V674 M884	P667-L671 VanDerWaalsContact O-CG 3.29Å; P667-L671 WeakPolarHBondContact O-CG 3.42Å; P667-L671 PolarHBondContact O-N 3Å; P667-L671 VanDerWaalsContact O-N 3.09Å; M668-L671 PolarHBondContact O-N 3.15Å; L671-V674 WeakPolarHBondContact O-CG2 3.35Å; L671-M884 HydrophobicContact CB-CB 3.94Å; L671-M884 HydrophobicContact CB-CE 4.08Å; L671-M884 HydrophobicContact CB-CG 3.63Å; L671-M884 HydrophobicContact CB-SD 4.48Å; L671-M884 HydrophobicContact CD1-CB 4.2Å; L671-M884 HydrophobicContact CD1-CE 4.01Å; L671-M884 HydrophobicContact CD2-CE 4.29Å; L671-M884 HydrophobicContact CG-CE 4.37Å
672	L	91.5	Very high	91	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.5	-35.5	175.1	-69	164.7	0	0	0	112.2	V655 V657 M668 S669 L670 V674 C675 I678 L681 L725 M884 A887	V655-L672 HydrophobicContact CG1-CD1 4.48Å; V657-L672 HydrophobicContact CG2-CD1 3.65Å; M668-L672 HydrophobicContact CG-CD1 3.92Å; M668-L672 HydrophobicContact CG-CG 4.44Å; M668-L672 WeakPolarHBondContact O-CB 3.34Å; M668-L672 WeakPolarHBondContact O-CD1 3.33Å; M668-L672 VanDerWaalsContact O-CG 3.22Å; M668-L672 WeakPolarHBondContact O-CG 3.42Å; M668-L672 PolarHBondContact O-N 3.48Å; S669-L672 PolarHBondContact O-N 3.21Å; L670-L672 VanDerWaalsContact C-N 3.28Å; L670-L672 PolarHBondContact O-N 3.21Å; L672-V674 PolarHBondContact O-N 3.35Å; L672-C675 WeakPolarHBondContact O-CB 3.49Å; L672-C675 PolarHBondContact O-N 3.3Å; L672-I678 HydrophobicContact CB-CD1 3.91Å; L672-I678 HydrophobicContact CD2-CD1 3.74Å; L672-I678 HydrophobicContact CG-CD1 4.4Å; L672-L681 HydrophobicContact CB-CD1 3.98Å; L672-L681 HydrophobicContact CB-CD2 4.31Å; L672-L681 HydrophobicContact CD1-CD1 4.22Å; L672-L725 HydrophobicContact CD1-CD1 3.51Å; L672-L725 HydrophobicContact CD2-CD1 4.23Å; L672-L725 HydrophobicContact CG-CD1 4.49Å; L672-M884 HydrophobicContact CD2-CG 4.16Å; L672-M884 HydrophobicContact CG-CG 4.41Å; L672-A887 HydrophobicContact CD2-CB 4.01Å
673	K	92	Very high	91.4	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-30	177.4	173.1	60.6	-177.2	173.6	0	112	S669 L670 C675 L681 L696 I699 T701 A703 V705	S669-K673 WeakPolarHBondContact O-CB 3.3Å; S669-K673 PolarHBondContact O-N 3.27Å; L670-K673 PolarHBondContact O-N 2.98Å; K673-C675 VanDerWaalsContact C-N 3.35Å; K673-L681 HydrophobicContact CB-CD2 4.04Å; K673-L696 HydrophobicContact CB-CD2 4.21Å; K673-L696 WeakPolarHBondContact CE-O 3.46Å; K673-L696 HydrophobicContact CG-CD2 4.43Å; K673-I699 WeakPolarHBondContact CE-O 3.44Å; K673-I699 HydrophobicContact CG-CB 4.01Å; K673-I699 HydrophobicContact CG-CD1 4.11Å; K673-I699 HydrophobicContact CG-CG2 4.17Å; K673-I699 PolarHBondContact NZ-O 3.14Å; K673-T701 VanDerWaalsContact CD-OG1 3.29Å; K673-T701 WeakPolarHBondContact CD-OG1 3.26Å; K673-T701 WeakPolarHBondContact CE-OG1 3.36Å; K673-T701 PolarHBondContact NZ-O 3.25Å; K673-T701 PolarHBondContact NZ-OG1 2.86Å; K673-T701 VanDerWaalsContact O-CB 3.3Å; K673-T701 WeakPolarHBondContact O-CB 3.5Å; K673-T701 WeakPolarHBondContact O-CG2 3.37Å; K673-T701 PolarHBondContact O-OG1 2.96Å; K673-A703 HydrophobicContact CD-CB 4.26Å; K673-A703 PolarHBondContact NZ-O 2.94Å; K673-V705 HydrophobicContact CD-CG2 3.65Å
674	V	88.3	Confident	91.9	Very high	71 Å²	71	30.6 Å²	30.6	43%	0.43	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.8	176.2	-59.5	0	0	0	0	114.3	L670 L671 L672 I699 T701	L670-V674 PolarHBondContact O-N 2.94Å; L671-V674 WeakPolarHBondContact O-CG2 3.35Å; L672-V674 PolarHBondContact O-N 3.35Å; V674-I699 HydrophobicContact CG1-CG2 4.41Å; V674-T701 HydrophobicContact CB-CG2 4.43Å; V674-T701 HydrophobicContact CG1-CG2 4.16Å
675	C	84.9	Confident	92	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	16%	0.161	C	C	.	.			trans	-76.9	123.5	178	175.1	0	0	0	0	111.3	L672 K673 L677 I678 H888	L672-C675 WeakPolarHBondContact O-CB 3.49Å; L672-C675 PolarHBondContact O-N 3.3Å; K673-C675 VanDerWaalsContact C-N 3.35Å; C675-L677 PolarHBondContact O-N 2.95Å; C675-L677 PolarHBondContact SG-N 3.3Å; C675-L677 VanDerWaalsContact SG-N 3.43Å; C675-I678 HydrophobicContact CB-CB 4.48Å; C675-I678 HydrophobicContact CB-CD1 3.86Å; C675-I678 HydrophobicContact CB-CG1 3.99Å; C675-I678 PolarHBondContact O-N 3.37Å; C675-H888 HydrophobicContact CB-CB 4.43Å; C675-H888 VanDerWaalsContact SG-CB 3.58Å; C675-H888 PolarHBondContact SG-CD2 2.98Å
676	P	83	Confident	91.4	Very high	93 Å²	93	35.8 Å²	35.8	60%	0.604	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.3	-179.6	28.7	-35.7	0	0	0	114	I678	P676-I678 VanDerWaalsContact C-N 3.32Å
677	L	86	Confident	90.5	Very high	42 Å²	42	35.7 Å²	35.7	22%	0.22	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.7	179.8	-57.3	-176.7	0	0	0	113.3	G652 A653 C675 L900 E901	G652-L677 WeakPolarHBondContact CA-O 3.46Å; A653-L677 PolarHBondContact N-O 2.88Å; C675-L677 PolarHBondContact O-N 2.95Å; C675-L677 PolarHBondContact SG-N 3.3Å; C675-L677 VanDerWaalsContact SG-N 3.43Å; L677-L900 HydrophobicContact CB-CB 4.32Å; L677-L900 HydrophobicContact CD1-CB 3.96Å; L677-E901 HydrophobicContact CD1-CG 4.05Å
678	I	89.4	Confident	89.7	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117	179.7	-63	-178.8	0	0	0	108.6	A653 V655 L672 C675 P676 L681 A703 L900	A653-I678 WeakPolarHBondContact O-CA 3.19Å; V655-I678 HydrophobicContact CB-CD1 4.07Å; V655-I678 HydrophobicContact CB-CG2 4.47Å; V655-I678 HydrophobicContact CG2-CD1 3.64Å; V655-I678 HydrophobicContact CG2-CG1 3.73Å; V655-I678 HydrophobicContact CG2-CG2 4.3Å; L672-I678 HydrophobicContact CB-CD1 3.91Å; L672-I678 HydrophobicContact CD2-CD1 3.74Å; L672-I678 HydrophobicContact CG-CD1 4.4Å; C675-I678 HydrophobicContact CB-CB 4.48Å; C675-I678 HydrophobicContact CB-CD1 3.86Å; C675-I678 HydrophobicContact CB-CG1 3.99Å; C675-I678 PolarHBondContact O-N 3.37Å; P676-I678 VanDerWaalsContact C-N 3.32Å; I678-L681 HydrophobicContact CG2-CB 4.32Å; I678-A703 HydrophobicContact CB-CB 4.45Å; I678-A703 HydrophobicContact CG2-CB 4.18Å; I678-A703 WeakPolarHBondContact O-CA 3.39Å; I678-A703 WeakPolarHBondContact O-CB 3.29Å; I678-L900 HydrophobicContact CD1-CD1 4.05Å; I678-L900 HydrophobicContact CG1-CD1 3.8Å
679	R	90.5	Very high	89.3	Confident	91 Å²	91	42.2 Å²	42.2	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-31	171.4	68.1	177.4	165	85.5	6.6	112	G652 A653 A703 K704 D722	G652-R679 WeakPolarHBondContact O-CD 3.31Å; G652-R679 WeakPolarHBondContact O-CG 3.46Å; G652-R679 PolarHBondContact O-NE 2.97Å; A653-R679 WeakPolarHBondContact O-CG 3.28Å; A653-R679 PolarHBondContact O-N 3.5Å; R679-A703 CarbonylContact O-C 3.59Å; R679-A703 WeakPolarHBondContact O-CA 3.43Å; R679-K704 PolarHBondContact O-N 2.83Å; R679-D722 IonicContact NH2-OD2 3.84Å; R679-D722 PolarHBondContact NH2-OD2 2.92Å
680	H	95	Very high	88.8	Confident	30 Å²	30	46.2 Å²	46.2	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	116.8	-174	-171.9	-176.5	0	0	0	110.5	A653 K654 V655 K704 S706	A653-H680 PolarHBondContact O-N 2.86Å; K654-H680 CarbonylContact C-O 3.6Å; K654-H680 VanDerWaalsContact CA-O 3.26Å; K654-H680 WeakPolarHBondContact CA-O 3.48Å; K654-H680 HydrophobicContact CB-CB 4.18Å; K654-H680 HydrophobicContact CD-CB 4.47Å; K654-H680 HydrophobicContact CG-CB 4.02Å; V655-H680 PolarHBondContact N-O 3.47Å; H680-K704 CarbonylContact C-O 3.52Å; H680-K704 WeakPolarHBondContact CA-O 3.48Å; H680-K704 PolarHBondContact CD2-O 2.85Å; H680-S706 WeakPolarHBondContact NE2-CB 3.37Å; H680-S706 PolarHBondContact NE2-OG 3.37Å
681	L	95.4	Very high	88.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.3	170.7	-174.9	62.9	0	0	0	109.9	V655 V657 S669 L672 K673 I678 L683 L696 K704 V705 S706	V655-L681 HydrophobicContact CB-CD1 4.43Å; V655-L681 WeakPolarHBondContact O-CA 3.34Å; V657-L681 HydrophobicContact CG2-CD1 4Å; S669-L681 WeakPolarHBondContact O-CD2 3.41Å; L672-L681 HydrophobicContact CB-CD1 3.98Å; L672-L681 HydrophobicContact CB-CD2 4.31Å; L672-L681 HydrophobicContact CD1-CD1 4.22Å; K673-L681 HydrophobicContact CB-CD2 4.04Å; I678-L681 HydrophobicContact CG2-CB 4.32Å; L681-L683 HydrophobicContact CD1-CD2 4.14Å; L681-L683 HydrophobicContact CD2-CD2 4.01Å; L681-L683 HydrophobicContact CG-CD2 3.72Å; L681-L683 HydrophobicContact CG-CG 4.39Å; L681-L696 HydrophobicContact CD2-CD1 4.45Å; L681-K704 PolarHBondContact N-O 2.86Å; L681-V705 WeakPolarHBondContact O-CA 3.3Å; L681-S706 PolarHBondContact O-N 2.84Å
682	S	97.2	Very high	88.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.2	177.8	-168.5	0	0	0	0	110.1	V655 A656 V657 S706 A717	V655-S682 PolarHBondContact O-N 3.16Å; A656-S682 CarbonylContact C-O 3.58Å; A656-S682 VanDerWaalsContact CA-O 3.22Å; A656-S682 WeakPolarHBondContact CA-O 3.29Å; V657-S682 PolarHBondContact N-O 3.19Å; S682-S706 CarbonylContact C-O 3.58Å; S682-S706 WeakPolarHBondContact CA-O 3.19Å; S682-S706 PolarHBondContact OG-OG 3.43Å; S682-A717 WeakPolarHBondContact CB-O 3.47Å; S682-A717 WeakPolarHBondContact OG-CA 3.15Å; S682-A717 PolarHBondContact OG-O 3.46Å
683	L	97.5	Very high	88.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	-174.2	-54	178.7	0	0	0	109.5	V657 A660 S669 L681 T689 V692 L696 V705 S706 A707 H708	V657-L683 HydrophobicContact CB-CD2 4.1Å; V657-L683 HydrophobicContact CG2-CD2 4.31Å; A660-L683 HydrophobicContact CB-CB 3.77Å; A660-L683 HydrophobicContact CB-CD2 3.96Å; A660-L683 HydrophobicContact CB-CG 4.36Å; S669-L683 VanDerWaalsContact OG-CD2 3.24Å; S669-L683 WeakPolarHBondContact OG-CD2 3.49Å; L681-L683 HydrophobicContact CD1-CD2 4.14Å; L681-L683 HydrophobicContact CD2-CD2 4.01Å; L681-L683 HydrophobicContact CG-CD2 3.72Å; L681-L683 HydrophobicContact CG-CG 4.39Å; L683-T689 HydrophobicContact CB-CG2 3.53Å; L683-V692 HydrophobicContact CD1-CG1 4.26Å; L683-L696 HydrophobicContact CD1-CD1 3.62Å; L683-V705 HydrophobicContact CD1-CG1 3.86Å; L683-V705 HydrophobicContact CG-CG1 4.37Å; L683-S706 PolarHBondContact N-O 2.83Å; L683-A707 HydrophobicContact CB-CB 4.26Å; L683-A707 CarbonylContact O-C 3.59Å; L683-A707 WeakPolarHBondContact O-CA 3.41Å; L683-H708 PolarHBondContact O-CD2 3.18Å; L683-H708 PolarHBondContact O-N 3.5Å
684	Y	97.1	Very high	88.2	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141	176.6	174.3	-91.9	0	0	0	111.3	V657 L658 G659 A660 H708 G710 L714 A717 L752	V657-Y684 PolarHBondContact O-N 2.87Å; L658-Y684 HydrophobicContact CB-CD1 4.36Å; L658-Y684 HydrophobicContact CD2-CD1 3.99Å; L658-Y684 HydrophobicContact CD2-CG 4.08Å; G659-Y684 PolarHBondContact N-O 2.97Å; A660-Y684 PolarHBondContact N-O 3.38Å; Y684-H708 WeakPolarHBondContact CA-O 3.46Å; Y684-H708 HydrophobicContact CD2-CB 4.17Å; Y684-G710 VanDerWaalsContact CE2-O 3.28Å; Y684-G710 WeakPolarHBondContact CE2-O 3.39Å; Y684-L714 HydrophobicContact CD1-CD1 3.88Å; Y684-L714 HydrophobicContact CD2-CB 4.37Å; Y684-L714 HydrophobicContact CD2-CD1 4.05Å; Y684-L714 HydrophobicContact CE1-CD1 3.79Å; Y684-L714 HydrophobicContact CE2-CB 3.7Å; Y684-L714 HydrophobicContact CE2-CD1 3.94Å; Y684-L714 HydrophobicContact CE2-CG 4.4Å; Y684-L714 HydrophobicContact CG-CD1 4.02Å; Y684-A717 HydrophobicContact CD2-CB 4.01Å; Y684-A717 HydrophobicContact CG-CB 4.21Å; Y684-L752 HydrophobicContact CD1-CD2 4.2Å; Y684-L752 HydrophobicContact CE1-CD2 3.67Å
685	D	92.6	Very high	88.4	Confident	30 Å²	30	47.4 Å²	47.4	16%	0.16	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	169.1	166	-144.9	-44.2	0	0	0	109.3	G659 A660 S661 V687 T689 H708 N709 G710	G659-D685 WeakPolarHBondContact CA-OD2 3.36Å; A660-D685 PolarHBondContact N-OD2 3.21Å; S661-D685 WeakPolarHBondContact CA-OD2 3.4Å; S661-D685 VanDerWaalsContact CB-OD2 3.27Å; S661-D685 WeakPolarHBondContact CB-OD2 3.35Å; S661-D685 PolarHBondContact N-OD2 3.08Å; D685-V687 VanDerWaalsContact C-N 3.27Å; D685-V687 PolarHBondContact O-N 3.36Å; D685-T689 WeakPolarHBondContact CA-OG1 3.42Å; D685-T689 WeakPolarHBondContact CB-OG1 3.19Å; D685-T689 PolarHBondContact N-OG1 3.27Å; D685-H708 PolarHBondContact N-O 3.34Å; D685-N709 WeakPolarHBondContact O-CA 3.38Å; D685-G710 PolarHBondContact O-N 2.83Å; D685-G710 VanDerWaalsContact O-N 3.16Å
686	L	79	Confident	88.8	Confident	107 Å²	107	47.6 Å²	47.6	56%	0.56	27%	0.269	S	S	*	.	S	Bend	trans	-66.7	-32.8	176.4	-67.7	174.2	0	0	0	111.8	G710 P711	L686-G710 PolarHBondContact O-N 2.86Å; L686-P711 HydrophobicContact CD2-CG 4.22Å
687	V	73.8	Confident	89.2	Confident	94 Å²	94	46.4 Å²	46.4	57%	0.57	26%	0.263	S	S	*	.	S	Bend	trans	-146.5	150.3	-176.3	-69.6	0	0	0	0	111.8	S661 D685 T689	S661-V687 PolarHBondContact OG-O 3.12Å; D685-V687 VanDerWaalsContact C-N 3.27Å; D685-V687 PolarHBondContact O-N 3.36Å; V687-T689 VanDerWaalsContact C-N 3.29Å; V687-T689 PolarHBondContact O-N 3.3Å
688	K	77.4	Confident	89.4	Confident	168 Å²	168	51.8 Å²	51.8	73%	0.73	29%	0.287	S	S	*	.	S	Bend	trans	66.7	8	166.4	-55.4	-178.1	180	-175	0	117.7	V690 G691	K688-V690 VanDerWaalsContact C-N 3.3Å; K688-V690 PolarHBondContact O-N 2.82Å; K688-G691 PolarHBondContact O-N 3.36Å
689	T	85.1	Confident	89.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-31.8	-179.6	-37.9	0	0	0	0	113.1	A660 S661 L683 D685 V687 G691 V692 G693 A707 H708 N709	A660-T689 HydrophobicContact CB-CG2 3.98Å; S661-T689 VanDerWaalsContact OG-CA 3.23Å; S661-T689 WeakPolarHBondContact OG-CA 3.46Å; S661-T689 PolarHBondContact OG-N 2.81Å; S661-T689 PolarHBondContact OG-OG1 3.03Å; L683-T689 HydrophobicContact CB-CG2 3.53Å; D685-T689 WeakPolarHBondContact CA-OG1 3.42Å; D685-T689 WeakPolarHBondContact CB-OG1 3.19Å; D685-T689 PolarHBondContact N-OG1 3.27Å; V687-T689 VanDerWaalsContact C-N 3.29Å; V687-T689 PolarHBondContact O-N 3.3Å; T689-G691 PolarHBondContact O-N 3.22Å; T689-V692 WeakPolarHBondContact O-CB 3.12Å; T689-V692 PolarHBondContact O-N 3.12Å; T689-G693 PolarHBondContact O-N 3.09Å; T689-A707 HydrophobicContact CG2-CB 4.01Å; T689-A707 VanDerWaalsContact O-CB 3.3Å; T689-A707 WeakPolarHBondContact O-CB 3.38Å; T689-H708 WeakPolarHBondContact CB-O 3.46Å; T689-H708 PolarHBondContact OG1-O 2.72Å; T689-N709 WeakPolarHBondContact CA-OD1 3.46Å; T689-N709 WeakPolarHBondContact CB-OD1 3.33Å; T689-N709 PolarHBondContact N-OD1 2.82Å; T689-N709 PolarHBondContact OG1-OD1 3.32Å
690	V	82.7	Confident	89.2	Confident	84 Å²	84	55.7 Å²	55.7	51%	0.509	32%	0.324	S	S	.	.	H	α-helix	trans	-55.5	-38.3	178	175.9	0	0	0	0	111.8	K688 G693 A694 N709	K688-V690 VanDerWaalsContact C-N 3.3Å; K688-V690 PolarHBondContact O-N 2.82Å; V690-G693 PolarHBondContact O-N 3.39Å; V690-A694 PolarHBondContact O-N 2.78Å; V690-N709 WeakPolarHBondContact CG2-ND2 3.43Å
691	G	85.6	Confident	88.7	Confident	50 Å²	50	55.9 Å²	55.9	52%	0.515	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-43	175.4	0	0	0	0	0	112.7	K688 T689 G693 A694 D695	K688-G691 PolarHBondContact O-N 3.36Å; T689-G691 PolarHBondContact O-N 3.22Å; G691-G693 VanDerWaalsContact C-N 3.31Å; G691-G693 PolarHBondContact O-N 2.87Å; G691-A694 PolarHBondContact O-N 2.85Å; G691-D695 PolarHBondContact O-N 3.47Å
692	V	88.4	Confident	88	Confident	20 Å²	20	61.3 Å²	61.3	12%	0.121	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-40.1	175.6	-176.2	0	0	0	0	111	Q666 L683 T689 L696	Q666-V692 HydrophobicContact CG-CG1 4.29Å; Q666-V692 HydrophobicContact CG-CG2 4.1Å; L683-V692 HydrophobicContact CD1-CG1 4.26Å; T689-V692 WeakPolarHBondContact O-CB 3.12Å; T689-V692 PolarHBondContact O-N 3.12Å; V692-L696 HydrophobicContact CG1-CD1 3.96Å; V692-L696 WeakPolarHBondContact O-CB 3.21Å; V692-L696 WeakPolarHBondContact O-CG 2.96Å; V692-L696 PolarHBondContact O-N 3.2Å
693	G	91.8	Very high	87.5	Confident	7 Å²	7	61.3 Å²	61.3	7%	0.072	36%	0.363	C	S	.	.	H	α-helix	trans	-65.5	-41	176.7	0	0	0	0	0	113.4	T689 V690 G691 S697	T689-G693 PolarHBondContact O-N 3.09Å; V690-G693 PolarHBondContact O-N 3.39Å; G691-G693 VanDerWaalsContact C-N 3.31Å; G691-G693 PolarHBondContact O-N 2.87Å; G693-S697 WeakPolarHBondContact O-CB 3.49Å; G693-S697 PolarHBondContact O-N 3.27Å
694	A	90.8	Very high	87.3	Confident	48 Å²	48	68.4 Å²	68.4	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-47.5	175.5	0	0	0	0	0	111.1	V690 G691 L696 S697 H698	V690-A694 PolarHBondContact O-N 2.78Å; G691-A694 PolarHBondContact O-N 2.85Å; A694-L696 PolarHBondContact O-N 3.14Å; A694-S697 WeakPolarHBondContact O-CB 3.49Å; A694-S697 PolarHBondContact O-N 3.36Å; A694-S697 PolarHBondContact O-OG 2.92Å; A694-H698 PolarHBondContact O-CD2 3.43Å
695	D	93.3	Very high	87.2	Confident	114 Å²	114	69.2 Å²	69.2	61%	0.61	40%	0.399	S	S	*	.	H	α-helix	trans	-59.5	-49	178.2	-166.5	22.9	0	0	0	111.7	G691 S697 H698	G691-D695 PolarHBondContact O-N 3.47Å; D695-S697 PolarHBondContact O-N 3.37Å; D695-H698 WeakPolarHBondContact O-CB 3.5Å; D695-H698 PolarHBondContact O-N 3.12Å; D695-H698 VanDerWaalsContact O-N 3.16Å
696	L	92.7	Very high	87.3	Confident	9 Å²	9	69.1 Å²	69.1	5%	0.047	40%	0.401	C	S	.	.	H	α-helix	trans	-64.5	-23.2	176	-69.7	172	0	0	0	113.2	L670 K673 L681 L683 V692 A694 H698 I699 V705	L670-L696 HydrophobicContact CB-CD2 4.09Å; L670-L696 HydrophobicContact CD1-CD2 4.06Å; K673-L696 HydrophobicContact CB-CD2 4.21Å; K673-L696 WeakPolarHBondContact CE-O 3.46Å; K673-L696 HydrophobicContact CG-CD2 4.43Å; L681-L696 HydrophobicContact CD2-CD1 4.45Å; L683-L696 HydrophobicContact CD1-CD1 3.62Å; V692-L696 HydrophobicContact CG1-CD1 3.96Å; V692-L696 WeakPolarHBondContact O-CB 3.21Å; V692-L696 WeakPolarHBondContact O-CG 2.96Å; V692-L696 PolarHBondContact O-N 3.2Å; A694-L696 PolarHBondContact O-N 3.14Å; L696-H698 PolarHBondContact O-N 2.7Å; L696-I699 HydrophobicContact CD2-CD1 3.73Å; L696-I699 PolarHBondContact O-N 3.16Å; L696-V705 HydrophobicContact CB-CG1 4.35Å; L696-V705 HydrophobicContact CB-CG2 4.2Å
697	S	91.8	Very high	88.2	Confident	67 Å²	67	65.3 Å²	65.3	47%	0.469	39%	0.385	S	S	.	.	H	α-helix	trans	-69.7	-19.9	178.2	80.1	0	0	0	0	113.2	G693 A694 D695 I699	G693-S697 WeakPolarHBondContact O-CB 3.49Å; G693-S697 PolarHBondContact O-N 3.27Å; A694-S697 WeakPolarHBondContact O-CB 3.49Å; A694-S697 PolarHBondContact O-N 3.36Å; A694-S697 PolarHBondContact O-OG 2.92Å; D695-S697 PolarHBondContact O-N 3.37Å; S697-I699 PolarHBondContact O-N 3.08Å
698	H	91.1	Very high	89.2	Confident	155 Å²	155	62.4 Å²	62.4	72%	0.718	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.2	178.6	-58.5	169.6	0	0	0	113.3	A694 D695 L696	A694-H698 PolarHBondContact O-CD2 3.43Å; D695-H698 WeakPolarHBondContact O-CB 3.5Å; D695-H698 PolarHBondContact O-N 3.12Å; D695-H698 VanDerWaalsContact O-N 3.16Å; L696-H698 PolarHBondContact O-N 2.7Å
699	I	87.3	Confident	89.8	Confident	48 Å²	48	56.6 Å²	56.6	25%	0.246	34%	0.342	C	S	.	.	S	Bend	trans	-85.6	126	-176.1	-55.3	179.7	0	0	0	109.7	L670 K673 V674 L696 S697 T701	L670-I699 HydrophobicContact CD1-CD1 3.37Å; K673-I699 WeakPolarHBondContact CE-O 3.44Å; K673-I699 HydrophobicContact CG-CB 4.01Å; K673-I699 HydrophobicContact CG-CD1 4.11Å; K673-I699 HydrophobicContact CG-CG2 4.17Å; K673-I699 PolarHBondContact NZ-O 3.14Å; V674-I699 HydrophobicContact CG1-CG2 4.41Å; L696-I699 HydrophobicContact CD2-CD1 3.73Å; L696-I699 PolarHBondContact O-N 3.16Å; S697-I699 PolarHBondContact O-N 3.08Å; I699-T701 HydrophobicContact CG2-CG2 3.88Å; I699-T701 PolarHBondContact O-N 2.88Å
700	S	86.8	Confident	89.6	Confident	128 Å²	128	56.9 Å²	56.9	90%	0.895	35%	0.345	S	S	*	.			trans	-72.1	56.4	-173.5	51.5	0	0	0	0	114.3
701	T	85.2	Confident	89.5	Confident	34 Å²	34	57.2 Å²	57.2	21%	0.209	35%	0.349	C	S	.	.	S	Bend	trans	-123.8	152.3	176.6	73	0	0	0	0	110.5	K673 V674 I699 A703	K673-T701 VanDerWaalsContact CD-OG1 3.29Å; K673-T701 WeakPolarHBondContact CD-OG1 3.26Å; K673-T701 WeakPolarHBondContact CE-OG1 3.36Å; K673-T701 PolarHBondContact NZ-O 3.25Å; K673-T701 PolarHBondContact NZ-OG1 2.86Å; K673-T701 VanDerWaalsContact O-CB 3.3Å; K673-T701 WeakPolarHBondContact O-CB 3.5Å; K673-T701 WeakPolarHBondContact O-CG2 3.37Å; K673-T701 PolarHBondContact O-OG1 2.96Å; V674-T701 HydrophobicContact CB-CG2 4.43Å; V674-T701 HydrophobicContact CG1-CG2 4.16Å; I699-T701 HydrophobicContact CG2-CG2 3.88Å; I699-T701 PolarHBondContact O-N 2.88Å; T701-A703 PolarHBondContact O-N 3.46Å
702	P	80.4	Confident	89.5	Confident	115 Å²	115	61.6 Å²	61.6	75%	0.747	36%	0.356	S	S	*	.	S	Bend	trans	-66.6	-19.4	-175.9	24.9	-34.3	0	0	0	114.1	K704	P702-K704 PolarHBondContact O-N 3.28Å; P702-K704 VanDerWaalsContact O-N 3.17Å
703	A	86.4	Confident	89.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	37%	0.365	C	S	.	.			trans	-63.5	114.6	-178.5	0	0	0	0	0	111.5	K673 I678 R679 T701	K673-A703 HydrophobicContact CD-CB 4.26Å; K673-A703 PolarHBondContact NZ-O 2.94Å; I678-A703 HydrophobicContact CB-CB 4.45Å; I678-A703 HydrophobicContact CG2-CB 4.18Å; I678-A703 WeakPolarHBondContact O-CA 3.39Å; I678-A703 WeakPolarHBondContact O-CB 3.29Å; R679-A703 CarbonylContact O-C 3.59Å; R679-A703 WeakPolarHBondContact O-CA 3.43Å; T701-A703 PolarHBondContact O-N 3.46Å
704	K	93.4	Very high	89.6	Confident	149 Å²	149	64 Å²	64	65%	0.648	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	145.4	172.1	-174.3	175.2	-179.7	177.1	0	110.1	R679 H680 L681 P702	R679-K704 PolarHBondContact O-N 2.83Å; H680-K704 CarbonylContact C-O 3.52Å; H680-K704 WeakPolarHBondContact CA-O 3.48Å; H680-K704 PolarHBondContact CD2-O 2.85Å; L681-K704 PolarHBondContact N-O 2.86Å; P702-K704 PolarHBondContact O-N 3.28Å; P702-K704 VanDerWaalsContact O-N 3.17Å
705	V	95.5	Very high	89.7	Confident	26 Å²	26	62.4 Å²	62.4	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.1	175.6	-177.7	0	0	0	0	110	K673 L681 L683 L696	K673-V705 HydrophobicContact CD-CG2 3.65Å; L681-V705 WeakPolarHBondContact O-CA 3.3Å; L683-V705 HydrophobicContact CD1-CG1 3.86Å; L683-V705 HydrophobicContact CG-CG1 4.37Å; L696-V705 HydrophobicContact CB-CG1 4.35Å; L696-V705 HydrophobicContact CB-CG2 4.2Å
706	S	95.9	Very high	89.7	Confident	27 Å²	27	59.6 Å²	59.6	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.9	165.1	59.8	0	0	0	0	109.9	H680 L681 S682 L683 H708	H680-S706 WeakPolarHBondContact NE2-CB 3.37Å; H680-S706 PolarHBondContact NE2-OG 3.37Å; L681-S706 PolarHBondContact O-N 2.84Å; S682-S706 CarbonylContact C-O 3.58Å; S682-S706 WeakPolarHBondContact CA-O 3.19Å; S682-S706 PolarHBondContact OG-OG 3.43Å; L683-S706 PolarHBondContact N-O 2.83Å; S706-H708 PolarHBondContact OG-NE2 3.5Å
707	A	96	Very high	89.7	Confident	27 Å²	27	59.2 Å²	59.2	22%	0.223	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.7	-179.7	0	0	0	0	0	111.7	L683 T689	L683-A707 HydrophobicContact CB-CB 4.26Å; L683-A707 CarbonylContact O-C 3.59Å; L683-A707 WeakPolarHBondContact O-CA 3.41Å; T689-A707 HydrophobicContact CG2-CB 4.01Å; T689-A707 VanDerWaalsContact O-CB 3.3Å; T689-A707 WeakPolarHBondContact O-CB 3.38Å
708	H	95.2	Very high	89.9	Confident	34 Å²	34	56 Å²	56	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.8	-172.2	-56.9	-87.3	0	0	0	109.7	L683 Y684 D685 T689 S706 N713 A717	L683-H708 PolarHBondContact O-CD2 3.18Å; L683-H708 PolarHBondContact O-N 3.5Å; Y684-H708 WeakPolarHBondContact CA-O 3.46Å; Y684-H708 HydrophobicContact CD2-CB 4.17Å; D685-H708 PolarHBondContact N-O 3.34Å; T689-H708 WeakPolarHBondContact CB-O 3.46Å; T689-H708 PolarHBondContact OG1-O 2.72Å; S706-H708 PolarHBondContact OG-NE2 3.5Å; H708-N713 HydrophobicContact CB-CB 4.05Å; H708-A717 HydrophobicContact CB-CB 3.97Å
709	N	89.6	Confident	89.9	Confident	46 Å²	46	55 Å²	55	25%	0.246	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.8	178.5	-71.3	-17.8	0	0	0	110.2	D685 T689 V690 N713	D685-N709 WeakPolarHBondContact O-CA 3.38Å; T689-N709 WeakPolarHBondContact CA-OD1 3.46Å; T689-N709 WeakPolarHBondContact CB-OD1 3.33Å; T689-N709 PolarHBondContact N-OD1 2.82Å; T689-N709 PolarHBondContact OG1-OD1 3.32Å; V690-N709 WeakPolarHBondContact CG2-ND2 3.43Å; N709-N713 WeakPolarHBondContact O-CB 3.47Å; N709-N713 PolarHBondContact O-ND2 3.27Å
710	G	81.6	Confident	90.1	Very high	6 Å²	6	55.1 Å²	55.1	6%	0.062	33%	0.328	C	S	.	.	S	Bend	trans	82.5	150.7	167.5	0	0	0	0	0	113.9	Y684 D685 L686 E712 N713	Y684-G710 VanDerWaalsContact CE2-O 3.28Å; Y684-G710 WeakPolarHBondContact CE2-O 3.39Å; D685-G710 PolarHBondContact O-N 2.83Å; D685-G710 VanDerWaalsContact O-N 3.16Å; L686-G710 PolarHBondContact O-N 2.86Å; G710-E712 PolarHBondContact O-N 3.44Å; G710-E712 VanDerWaalsContact O-N 3.14Å; G710-N713 PolarHBondContact O-N 2.75Å; G710-N713 VanDerWaalsContact O-N 3.08Å
711	P	81.5	Confident	90.4	Very high	91 Å²	91	49.5 Å²	49.5	59%	0.591	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-53.9	-34.8	-175.3	-23.8	32.7	0	0	0	114.5	L686 N713 L714	L686-P711 HydrophobicContact CD2-CG 4.22Å; P711-N713 PolarHBondContact O-N 3.16Å; P711-L714 WeakPolarHBondContact O-CB 3.49Å; P711-L714 PolarHBondContact O-N 3.18Å
712	E	85.4	Confident	90.8	Very high	141 Å²	141	51.1 Å²	51.1	66%	0.659	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64	-26.7	-178.9	67.4	-75.3	177.8	0	0	113.5	G710	G710-E712 PolarHBondContact O-N 3.44Å; G710-E712 VanDerWaalsContact O-N 3.14Å
713	N	90.5	Very high	91.4	Very high	60 Å²	60	45.6 Å²	45.6	32%	0.321	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-99.9	5.5	-178.6	-62	-55.7	0	0	0	113.1	H708 N709 G710 P711 G715 S716 A717	H708-N713 HydrophobicContact CB-CB 4.05Å; N709-N713 WeakPolarHBondContact O-CB 3.47Å; N709-N713 PolarHBondContact O-ND2 3.27Å; G710-N713 PolarHBondContact O-N 2.75Å; G710-N713 VanDerWaalsContact O-N 3.08Å; P711-N713 PolarHBondContact O-N 3.16Å; N713-G715 VanDerWaalsContact C-N 3.26Å; N713-G715 PolarHBondContact O-N 3.06Å; N713-S716 PolarHBondContact O-N 2.77Å; N713-A717 PolarHBondContact O-N 3.25Å; N713-A717 VanDerWaalsContact O-N 3.08Å
714	L	92.2	Very high	91.9	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-39.3	176.6	179.6	58.2	0	0	0	111.4	L658 Y684 P711 A717 L718 L752	L658-L714 HydrophobicContact CD1-CD1 4.43Å; L658-L714 HydrophobicContact CD2-CD1 4.13Å; Y684-L714 HydrophobicContact CD1-CD1 3.88Å; Y684-L714 HydrophobicContact CD2-CB 4.37Å; Y684-L714 HydrophobicContact CD2-CD1 4.05Å; Y684-L714 HydrophobicContact CE1-CD1 3.79Å; Y684-L714 HydrophobicContact CE2-CB 3.7Å; Y684-L714 HydrophobicContact CE2-CD1 3.94Å; Y684-L714 HydrophobicContact CE2-CG 4.4Å; Y684-L714 HydrophobicContact CG-CD1 4.02Å; P711-L714 WeakPolarHBondContact O-CB 3.49Å; P711-L714 PolarHBondContact O-N 3.18Å; L714-A717 PolarHBondContact O-N 3.17Å; L714-L718 HydrophobicContact CD1-CD1 3.75Å; L714-L718 HydrophobicContact CD1-CG 4.07Å; L714-L718 HydrophobicContact CG-CD1 3.81Å; L714-L718 VanDerWaalsContact O-CG 3.27Å; L714-L718 WeakPolarHBondContact O-CG 3.41Å; L714-L718 PolarHBondContact O-N 2.86Å; L714-L752 HydrophobicContact CD1-CD2 4.16Å; L714-L752 HydrophobicContact CD2-CD2 4.32Å
715	G	91.9	Very high	92	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-48.1	176.7	0	0	0	0	0	112.6	N713 A717 L718 E719	N713-G715 VanDerWaalsContact C-N 3.26Å; N713-G715 PolarHBondContact O-N 3.06Å; G715-A717 VanDerWaalsContact C-N 3.27Å; G715-A717 PolarHBondContact O-N 3.25Å; G715-L718 PolarHBondContact O-N 2.77Å; G715-L718 VanDerWaalsContact O-N 3.1Å; G715-E719 PolarHBondContact O-N 3.01Å
716	S	92.4	Very high	92.1	Very high	56 Å²	56	37.2 Å²	37.2	39%	0.392	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-32.3	177.6	-56	0	0	0	0	113.1	N713 L718	N713-S716 PolarHBondContact O-N 2.77Å; S716-L718 VanDerWaalsContact C-N 3.32Å
717	A	93.6	Very high	92	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-34.1	175	0	0	0	0	0	112.8	S682 Y684 H708 N713 L714 G715	S682-A717 WeakPolarHBondContact CB-O 3.47Å; S682-A717 WeakPolarHBondContact OG-CA 3.15Å; S682-A717 PolarHBondContact OG-O 3.46Å; Y684-A717 HydrophobicContact CD2-CB 4.01Å; Y684-A717 HydrophobicContact CG-CB 4.21Å; H708-A717 HydrophobicContact CB-CB 3.97Å; N713-A717 PolarHBondContact O-N 3.25Å; N713-A717 VanDerWaalsContact O-N 3.08Å; L714-A717 PolarHBondContact O-N 3.17Å; G715-A717 VanDerWaalsContact C-N 3.27Å; G715-A717 PolarHBondContact O-N 3.25Å
718	L	96.1	Very high	91.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-92.6	-26.2	-171.9	-70.5	174.6	0	0	0	114.3	A656 L658 L714 G715 S716 G720 A721 I724 V756 H759 A760	A656-L718 HydrophobicContact CB-CD2 4.41Å; L658-L718 HydrophobicContact CD1-CD2 4.16Å; L658-L718 HydrophobicContact CD2-CD2 3.97Å; L714-L718 HydrophobicContact CD1-CD1 3.75Å; L714-L718 HydrophobicContact CD1-CG 4.07Å; L714-L718 HydrophobicContact CG-CD1 3.81Å; L714-L718 VanDerWaalsContact O-CG 3.27Å; L714-L718 WeakPolarHBondContact O-CG 3.41Å; L714-L718 PolarHBondContact O-N 2.86Å; G715-L718 PolarHBondContact O-N 2.77Å; G715-L718 VanDerWaalsContact O-N 3.1Å; S716-L718 VanDerWaalsContact C-N 3.32Å; L718-G720 PolarHBondContact O-N 2.95Å; L718-A721 WeakPolarHBondContact O-CB 3.47Å; L718-A721 PolarHBondContact O-N 2.9Å; L718-I724 HydrophobicContact CD2-CD1 3.7Å; L718-I724 HydrophobicContact CD2-CG1 4.11Å; L718-I724 HydrophobicContact CD2-CG2 4.26Å; L718-V756 HydrophobicContact CD1-CG2 4.11Å; L718-V756 HydrophobicContact CD2-CG2 4.06Å; L718-H759 HydrophobicContact CB-CB 3.97Å; L718-H759 HydrophobicContact CD1-CB 4.3Å; L718-A760 HydrophobicContact CB-CB 4.13Å
719	E	92.1	Very high	91.1	Very high	134 Å²	134	35.8 Å²	35.8	63%	0.626	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	121	-174.1	-175	173.6	-163.3	0	0	112.5	K654 G715 A721	K654-E719 WeakPolarHBondContact CE-O 3.37Å; K654-E719 PolarHBondContact NZ-O 2.98Å; G715-E719 PolarHBondContact O-N 3.01Å; E719-A721 PolarHBondContact O-N 3.12Å
720	G	90.4	Very high	90.5	Very high	50 Å²	50	36 Å²	36	52%	0.515	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.3	179.7	0	0	0	0	0	115.3	K654 L718	K654-G720 WeakPolarHBondContact CD-O 3.43Å; L718-G720 PolarHBondContact O-N 2.95Å
721	A	93.7	Very high	90.1	Very high	9 Å²	9	39 Å²	39	7%	0.074	24%	0.239	C	C	.	.			trans	-70	133.4	171.3	0	0	0	0	0	111	A656 L718 E719 I724 A763	A656-A721 HydrophobicContact CB-CB 4.05Å; L718-A721 WeakPolarHBondContact O-CB 3.47Å; L718-A721 PolarHBondContact O-N 2.9Å; E719-A721 PolarHBondContact O-N 3.12Å; A721-I724 HydrophobicContact CB-CG1 4.03Å; A721-A763 VanDerWaalsContact O-CB 3.3Å; A721-A763 WeakPolarHBondContact O-CB 3.29Å
722	D	92.7	Very high	89.3	Confident	68 Å²	68	41.8 Å²	41.8	36%	0.364	24%	0.237	S	C	.	.	S	Bend	trans	-88.2	-38.4	175.6	-59.4	-65.5	0	0	0	110.6	A653 K654 R679 I764	A653-D722 WeakPolarHBondContact CA-OD2 3.02Å; A653-D722 HydrophobicContact CB-CB 4.2Å; K654-D722 PolarHBondContact N-OD2 3.23Å; K654-D722 PolarHBondContact O-N 3.41Å; R679-D722 IonicContact NH2-OD2 3.84Å; R679-D722 PolarHBondContact NH2-OD2 2.92Å; D722-I764 PolarHBondContact O-N 2.83Å
723	V	94	Very high	88	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137	178.8	-177.4	0	0	0	0	109.9	K654 V655 A656 L725 I764 L899 L900 L903	K654-V723 PolarHBondContact O-N 3.16Å; V655-V723 CarbonylContact C-O 3.59Å; V655-V723 WeakPolarHBondContact CA-O 3.41Å; V655-V723 HydrophobicContact CG1-CB 4.5Å; V655-V723 HydrophobicContact CG2-CB 4.3Å; A656-V723 PolarHBondContact N-O 3.23Å; V723-L725 HydrophobicContact CG1-CD2 4.27Å; V723-I764 CarbonylContact C-O 3.5Å; V723-I764 WeakPolarHBondContact CA-O 3.11Å; V723-L899 HydrophobicContact CG1-CD2 3.97Å; V723-L899 HydrophobicContact CG2-CD2 4.19Å; V723-L900 HydrophobicContact CG2-CD2 4.12Å; V723-L903 HydrophobicContact CG2-CD1 3.55Å
724	I	96.2	Very high	86.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.6	179.4	-58.4	166	0	0	0	108.8	A656 L658 L718 A721 I726 V756 A760 A763 I764 C766	A656-I724 HydrophobicContact CB-CG1 4.2Å; A656-I724 CarbonylContact O-C 3.6Å; A656-I724 WeakPolarHBondContact O-CA 3.39Å; L658-I724 HydrophobicContact CD1-CG2 3.8Å; L658-I724 HydrophobicContact CG-CG2 3.92Å; L718-I724 HydrophobicContact CD2-CD1 3.7Å; L718-I724 HydrophobicContact CD2-CG1 4.11Å; L718-I724 HydrophobicContact CD2-CG2 4.26Å; A721-I724 HydrophobicContact CB-CG1 4.03Å; I724-I726 HydrophobicContact CG2-CD1 4.31Å; I724-I726 HydrophobicContact CG2-CG1 3.97Å; I724-V756 HydrophobicContact CD1-CB 4.28Å; I724-V756 HydrophobicContact CD1-CG1 3.54Å; I724-V756 HydrophobicContact CD1-CG2 3.8Å; I724-V756 HydrophobicContact CG2-CG2 4.3Å; I724-A760 HydrophobicContact CD1-CB 3.9Å; I724-A763 HydrophobicContact CD1-CB 3.41Å; I724-A763 VanDerWaalsContact CD1-CB 3.41Å; I724-A763 HydrophobicContact CG1-CB 3.85Å; I724-I764 PolarHBondContact N-O 2.96Å; I724-C766 PolarHBondContact O-N 2.86Å
725	L	96.1	Very high	84.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.9	175.7	-57.7	174.9	0	0	0	109.4	V655 A656 V657 L658 M668 L672 V723 P727 C766 I768 A887	V655-L725 HydrophobicContact CG1-CD1 4.18Å; V655-L725 HydrophobicContact CG1-CG 4.38Å; A656-L725 PolarHBondContact O-N 3.41Å; V657-L725 HydrophobicContact CG2-CD1 4.48Å; L658-L725 PolarHBondContact N-O 2.68Å; M668-L725 HydrophobicContact CE-CB 3.93Å; M668-L725 HydrophobicContact CE-CD1 4.06Å; M668-L725 HydrophobicContact SD-CD1 4.04Å; L672-L725 HydrophobicContact CD1-CD1 3.51Å; L672-L725 HydrophobicContact CD2-CD1 4.23Å; L672-L725 HydrophobicContact CG-CD1 4.49Å; V723-L725 HydrophobicContact CG1-CD2 4.27Å; L725-P727 VanDerWaalsContact C-CD 3.4Å; L725-P727 WeakPolarHBondContact O-CD 3.49Å; L725-C766 HydrophobicContact CD2-CB 3.57Å; L725-I768 HydrophobicContact CB-CD1 4.46Å; L725-A887 HydrophobicContact CD1-CB 4.32Å
726	I	96.3	Very high	82.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	82.3	-178.4	-50.5	-170.9	0	0	0	110.6	L658 I724 A728 L752 V753 V765 C766 I767 I768 S769	L658-I726 HydrophobicContact CB-CG1 4.37Å; L658-I726 HydrophobicContact CD1-CD1 3.94Å; L658-I726 HydrophobicContact CD1-CG1 4.01Å; L658-I726 HydrophobicContact CG-CG1 4.35Å; I724-I726 HydrophobicContact CG2-CD1 4.31Å; I724-I726 HydrophobicContact CG2-CG1 3.97Å; I726-A728 VanDerWaalsContact C-N 3.31Å; I726-A728 HydrophobicContact CG2-CB 4.26Å; I726-L752 HydrophobicContact CD1-CB 4.42Å; I726-L752 HydrophobicContact CG2-CD1 3.75Å; I726-V753 HydrophobicContact CD1-CG2 4.02Å; I726-V765 HydrophobicContact CD1-CG1 3.99Å; I726-C766 PolarHBondContact N-O 2.81Å; I726-I767 HydrophobicContact CB-CD1 4.03Å; I726-I767 HydrophobicContact CD1-CD1 3.71Å; I726-I767 HydrophobicContact CG1-CD1 4.12Å; I726-I768 PolarHBondContact O-N 2.9Å; I726-S769 PolarHBondContact O-N 3.3Å; I726-S769 VanDerWaalsContact O-N 3.09Å
727	P	93.6	Very high	81.6	Confident	10 Å²	10	45.8 Å²	45.8	7%	0.065	28%	0.277	C	S	.	.			trans	-80.3	-9.8	166.4	35.2	-40.3	0	0	0	113.1	V657 L658 I664 M668 L725 G729	V657-P727 HydrophobicContact CG1-CG 4.06Å; L658-P727 WeakPolarHBondContact O-CD 3.03Å; I664-P727 HydrophobicContact CB-CB 4.09Å; I664-P727 HydrophobicContact CG2-CB 3.8Å; M668-P727 HydrophobicContact CE-CB 4.2Å; M668-P727 HydrophobicContact CE-CG 3.62Å; L725-P727 VanDerWaalsContact C-CD 3.4Å; L725-P727 WeakPolarHBondContact O-CD 3.49Å; P727-G729 PolarHBondContact O-N 3.33Å
728	A	87.9	Confident	80.4	Confident	13 Å²	13	54.4 Å²	54.4	11%	0.107	31%	0.309	C	S	.	.			trans	-53.7	124.8	-177.3	0	0	0	0	0	112.5	L658 I726 I748 L752 S769	L658-A728 VanDerWaalsContact O-CB 3.24Å; L658-A728 WeakPolarHBondContact O-CB 3.46Å; L658-A728 PolarHBondContact O-N 2.98Å; L658-A728 VanDerWaalsContact O-N 3.08Å; I726-A728 VanDerWaalsContact C-N 3.31Å; I726-A728 HydrophobicContact CG2-CB 4.26Å; A728-I748 HydrophobicContact CB-CG2 3.75Å; A728-L752 HydrophobicContact CB-CD1 3.51Å; A728-S769 VanDerWaalsContact O-CB 3.23Å; A728-S769 WeakPolarHBondContact O-CB 3.04Å; A728-S769 PolarHBondContact O-OG 2.91Å
729	G	84.4	Confident	79.3	Confident	34 Å²	34	58.4 Å²	58.4	35%	0.351	33%	0.331	S	S	.	.			trans	170.5	167.1	-179.1	0	0	0	0	0	109.6	P727 N745	P727-G729 PolarHBondContact O-N 3.33Å; G729-N745 WeakPolarHBondContact CA-OD1 3.45Å
730	I	77.8	Confident	78.4	Confident	52 Å²	52	53.9 Å²	53.9	27%	0.267	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-98.4	143.8	171.8	61	170	0	0	0	110.2	M736 L741 V744 N745	I730-M736 HydrophobicContact CD1-CE 3.29Å; I730-M736 HydrophobicContact CD1-SD 4.14Å; I730-M736 HydrophobicContact CG1-CE 4.07Å; I730-L741 HydrophobicContact CG1-CD1 4.34Å; I730-L741 WeakPolarHBondContact O-CD1 3.43Å; I730-V744 HydrophobicContact CD1-CB 3.82Å; I730-V744 HydrophobicContact CD1-CG1 3.56Å; I730-V744 HydrophobicContact CD1-CG2 3.81Å; I730-V744 HydrophobicContact CG1-CB 4.04Å; I730-V744 HydrophobicContact CG1-CG1 3.65Å; I730-V744 HydrophobicContact CG2-CG1 4.39Å; I730-N745 PolarHBondContact N-OD1 3.47Å; I730-N745 PolarHBondContact O-ND2 3.31Å
731	P	72.2	Confident	77.7	Confident	68 Å²	68	52.8 Å²	52.8	44%	0.442	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-71.2	157.2	170.3	31.3	-34.4	0	0	0	109.9	K733	P731-K733 PolarHBondContact O-N 3.41Å
732	R	65.2	Low	77.1	Confident	149 Å²	149	52.5 Å²	52.5	56%	0.562	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-66.6	117	172.1	-167	174.8	177.8	-118.5	-6.7	109.8	M736 L741	R732-M736 HydrophobicContact CG-CB 4.31Å; R732-M736 PolarHBondContact NE-O 2.68Å; R732-M736 PolarHBondContact NH2-O 3.45Å; R732-L741 HydrophobicContact CB-CD2 4.07Å; R732-L741 HydrophobicContact CG-CD2 4.49Å
733	K	59.1	Low	76.6	Confident	122 Å²	122	51.4 Å²	51.4	53%	0.53	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-90.7	156.5	176.2	-64.1	-176.6	-179	-179.1	0	111.6	P731 G735 M736	P731-K733 PolarHBondContact O-N 3.41Å; K733-G735 PolarHBondContact O-N 3.03Å; K733-M736 HydrophobicContact CB-CB 4.44Å; K733-M736 WeakPolarHBondContact O-CB 3.43Å; K733-M736 PolarHBondContact O-N 3Å
734	P	53.9	Low	75.9	Confident	101 Å²	101	52.2 Å²	52.2	66%	0.656	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	131.6	169	-26.5	35.1	0	0	0	111.2	M736	P734-M736 VanDerWaalsContact C-N 3.3Å; P734-M736 PolarHBondContact O-N 2.63Å
735	G	55.9	Low	75.4	Confident	79 Å²	79	52.4 Å²	52.4	81%	0.814	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-12.5	-175.3	0	0	0	0	0	116	K733	K733-G735 PolarHBondContact O-N 3.03Å
736	M	57.5	Low	75	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.03	29%	0.291	C	S	.	.			trans	-77.9	125.5	177.7	-163.5	-179.3	-168	0	0	111.2	I730 R732 K733 P734 D740 L741 V744 Y988	I730-M736 HydrophobicContact CD1-CE 3.29Å; I730-M736 HydrophobicContact CD1-SD 4.14Å; I730-M736 HydrophobicContact CG1-CE 4.07Å; R732-M736 HydrophobicContact CG-CB 4.31Å; R732-M736 PolarHBondContact NE-O 2.68Å; R732-M736 PolarHBondContact NH2-O 3.45Å; K733-M736 HydrophobicContact CB-CB 4.44Å; K733-M736 WeakPolarHBondContact O-CB 3.43Å; K733-M736 PolarHBondContact O-N 3Å; P734-M736 VanDerWaalsContact C-N 3.3Å; P734-M736 PolarHBondContact O-N 2.63Å; M736-D740 HydrophobicContact CE-CB 3.93Å; M736-D740 HydrophobicContact CG-CB 3.59Å; M736-L741 VanDerWaalsContact CE-CA 3.45Å; M736-L741 HydrophobicContact CE-CB 4.13Å; M736-L741 HydrophobicContact CE-CD1 4.31Å; M736-L741 HydrophobicContact SD-CB 4.31Å; M736-L741 HydrophobicContact SD-CD1 4.28Å; M736-V744 HydrophobicContact CE-CG2 4.18Å; M736-Y988 HydrophobicContact CE-CD1 4.25Å; M736-Y988 HydrophobicContact CE-CE1 3.67Å; M736-Y988 HydrophobicContact CE-CE2 4.33Å; M736-Y988 HydrophobicContact CG-CD1 4.47Å; M736-Y988 HydrophobicContact CG-CE1 4.08Å
737	T	65.8	Low	74.5	Confident	66 Å²	66	52.9 Å²	52.9	41%	0.405	29%	0.294	S	S	.	.			trans	-72.7	165.4	175.8	69.6	0	0	0	0	110.9	D739 D740 L741	T737-D739 PolarHBondContact O-N 3.25Å; T737-D739 PolarHBondContact OG1-N 3.5Å; T737-D740 WeakPolarHBondContact CB-OD2 3.32Å; T737-D740 PolarHBondContact N-OD2 3.29Å; T737-D740 WeakPolarHBondContact OG1-CB 3.22Å; T737-D740 PolarHBondContact OG1-N 3.39Å; T737-D740 PolarHBondContact OG1-OD2 3.15Å; T737-L741 PolarHBondContact O-N 3.4Å
738	R	67.9	Low	74.2	Confident	182 Å²	182	54.7 Å²	54.7	69%	0.687	30%	0.302	S	S	*	.	H	α-helix	trans	-63.4	-31.8	171.5	-73.7	-175.4	176.3	-176.5	-0.9	111.3	L741 F742	R738-L741 PolarHBondContact O-N 3.26Å; R738-F742 WeakPolarHBondContact O-CB 3.49Å; R738-F742 PolarHBondContact O-N 3.41Å
739	D	72.7	Confident	74.4	Confident	84 Å²	84	54 Å²	54	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-71.2	-41.4	-179.9	-65.1	-23.9	0	0	0	112	T737 L741 F742 N743 R967	T737-D739 PolarHBondContact O-N 3.25Å; T737-D739 PolarHBondContact OG1-N 3.5Å; D739-L741 VanDerWaalsContact C-N 3.34Å; D739-L741 PolarHBondContact O-N 2.8Å; D739-F742 PolarHBondContact O-N 2.61Å; D739-N743 WeakPolarHBondContact O-CB 3.32Å; D739-N743 PolarHBondContact O-N 2.98Å; D739-N743 PolarHBondContact O-ND2 3.36Å; D739-R967 VanDerWaalsContact CG-NH2 3.32Å; D739-R967 IonicContact OD1-CZ 3.54Å; D739-R967 IonicContact OD1-NH1 3.3Å; D739-R967 PolarHBondContact OD1-NH1 2.89Å; D739-R967 IonicContact OD1-NH2 3.43Å; D739-R967 PolarHBondContact OD1-NH2 3.21Å
740	D	72.8	Confident	74.7	Confident	39 Å²	39	53.2 Å²	53.2	21%	0.209	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-49.9	171.7	-74.4	-45.4	0	0	0	111.8	M736 T737 F742 N743 V744 Y988	M736-D740 HydrophobicContact CE-CB 3.93Å; M736-D740 HydrophobicContact CG-CB 3.59Å; T737-D740 WeakPolarHBondContact CB-OD2 3.32Å; T737-D740 PolarHBondContact N-OD2 3.29Å; T737-D740 WeakPolarHBondContact OG1-CB 3.22Å; T737-D740 PolarHBondContact OG1-N 3.39Å; T737-D740 PolarHBondContact OG1-OD2 3.15Å; D740-F742 VanDerWaalsContact C-N 3.33Å; D740-F742 PolarHBondContact O-N 2.86Å; D740-N743 PolarHBondContact O-N 3.01Å; D740-V744 WeakPolarHBondContact O-CG2 3.19Å; D740-V744 PolarHBondContact O-N 2.89Å; D740-V744 VanDerWaalsContact O-N 3.11Å; D740-Y988 WeakPolarHBondContact CA-OH 3.45Å; D740-Y988 HydrophobicContact CB-CE1 3.66Å; D740-Y988 VanDerWaalsContact CB-OH 3.28Å; D740-Y988 WeakPolarHBondContact CB-OH 3.39Å; D740-Y988 PolarHBondContact O-OH 3.18Å; D740-Y988 PolarHBondContact OD1-OH 3.28Å
741	L	75.6	Confident	75.3	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.141	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-47.2	-179.6	179.2	68	0	0	0	111.1	I730 R732 M736 T737 R738 D739 V744 N745	I730-L741 HydrophobicContact CG1-CD1 4.34Å; I730-L741 WeakPolarHBondContact O-CD1 3.43Å; R732-L741 HydrophobicContact CB-CD2 4.07Å; R732-L741 HydrophobicContact CG-CD2 4.49Å; M736-L741 VanDerWaalsContact CE-CA 3.45Å; M736-L741 HydrophobicContact CE-CB 4.13Å; M736-L741 HydrophobicContact CE-CD1 4.31Å; M736-L741 HydrophobicContact SD-CB 4.31Å; M736-L741 HydrophobicContact SD-CD1 4.28Å; T737-L741 PolarHBondContact O-N 3.4Å; R738-L741 PolarHBondContact O-N 3.26Å; D739-L741 VanDerWaalsContact C-N 3.34Å; D739-L741 PolarHBondContact O-N 2.8Å; L741-V744 PolarHBondContact O-N 2.8Å; L741-N745 PolarHBondContact O-N 3.23Å; L741-N745 VanDerWaalsContact O-N 3.1Å
742	F	82.4	Confident	76.4	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-51.2	176.4	168.8	-99.1	0	0	0	111.2	R738 D739 D740 V744 N745 A746 P771 I778 R967 E971	R738-F742 WeakPolarHBondContact O-CB 3.49Å; R738-F742 PolarHBondContact O-N 3.41Å; D739-F742 PolarHBondContact O-N 2.61Å; D740-F742 VanDerWaalsContact C-N 3.33Å; D740-F742 PolarHBondContact O-N 2.86Å; F742-V744 VanDerWaalsContact C-N 3.32Å; F742-V744 PolarHBondContact O-N 3.3Å; F742-N745 PolarHBondContact O-N 3.04Å; F742-A746 HydrophobicContact CE1-CB 4.46Å; F742-A746 HydrophobicContact CE2-CB 4.26Å; F742-A746 HydrophobicContact CZ-CB 4.21Å; F742-A746 WeakPolarHBondContact O-CB 3.32Å; F742-A746 PolarHBondContact O-N 3.39Å; F742-P771 HydrophobicContact CD2-CG 3.88Å; F742-I778 HydrophobicContact CE2-CD1 3.9Å; F742-I778 HydrophobicContact CZ-CD1 4.02Å; F742-R967 HydrophobicContact CD1-CG 4.47Å; F742-R967 VanDerWaalsContact CD1-CZ 3.46Å; F742-R967 HydrophobicContact CE1-CG 3.85Å; F742-R967 HydrophobicContact CE2-CG 4.35Å; F742-R967 HydrophobicContact CZ-CG 3.78Å; F742-E971 HydrophobicContact CE1-CB 4.08Å; F742-E971 HydrophobicContact CE1-CG 3.95Å; F742-E971 HydrophobicContact CZ-CB 3.95Å; F742-E971 HydrophobicContact CZ-CG 4.22Å
743	N	81.3	Confident	77.8	Confident	45 Å²	45	43.8 Å²	43.8	24%	0.241	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-39.3	-175.5	-70.2	-15.9	0	0	0	112.6	D739 D740 S747 M976	D739-N743 WeakPolarHBondContact O-CB 3.32Å; D739-N743 PolarHBondContact O-N 2.98Å; D739-N743 PolarHBondContact O-ND2 3.36Å; D740-N743 PolarHBondContact O-N 3.01Å; N743-S747 PolarHBondContact O-N 3.35Å; N743-M976 HydrophobicContact CB-CE 4.3Å; N743-M976 WeakPolarHBondContact O-CE 3.36Å
744	V	78.8	Confident	79.4	Confident	16 Å²	16	41 Å²	41	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-54.4	177	178.9	0	0	0	0	111.2	I730 M736 D740 L741 F742 A746 S747 I748 Q984 Y988	I730-V744 HydrophobicContact CD1-CB 3.82Å; I730-V744 HydrophobicContact CD1-CG1 3.56Å; I730-V744 HydrophobicContact CD1-CG2 3.81Å; I730-V744 HydrophobicContact CG1-CB 4.04Å; I730-V744 HydrophobicContact CG1-CG1 3.65Å; I730-V744 HydrophobicContact CG2-CG1 4.39Å; M736-V744 HydrophobicContact CE-CG2 4.18Å; D740-V744 WeakPolarHBondContact O-CG2 3.19Å; D740-V744 PolarHBondContact O-N 2.89Å; D740-V744 VanDerWaalsContact O-N 3.11Å; L741-V744 PolarHBondContact O-N 2.8Å; F742-V744 VanDerWaalsContact C-N 3.32Å; F742-V744 PolarHBondContact O-N 3.3Å; V744-A746 VanDerWaalsContact C-N 3.27Å; V744-A746 PolarHBondContact O-N 2.78Å; V744-S747 PolarHBondContact O-N 2.89Å; V744-S747 VanDerWaalsContact O-N 3.09Å; V744-I748 HydrophobicContact CG1-CD1 3.68Å; V744-I748 HydrophobicContact CG1-CG1 4.34Å; V744-I748 WeakPolarHBondContact O-CG1 3.49Å; V744-I748 PolarHBondContact O-N 2.91Å; V744-Q984 HydrophobicContact CG2-CG 4.25Å; V744-Y988 HydrophobicContact CG2-CD2 4.33Å; V744-Y988 HydrophobicContact CG2-CE2 3.25Å; V744-Y988 WeakPolarHBondContact CG2-OH 3.47Å
745	N	86.8	Confident	81.3	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-31.5	-174.8	-69.1	-7.9	0	0	0	111.4	G729 I730 L741 F742 I748 V749 N770	G729-N745 WeakPolarHBondContact CA-OD1 3.45Å; I730-N745 PolarHBondContact N-OD1 3.47Å; I730-N745 PolarHBondContact O-ND2 3.31Å; L741-N745 PolarHBondContact O-N 3.23Å; L741-N745 VanDerWaalsContact O-N 3.1Å; F742-N745 PolarHBondContact O-N 3.04Å; N745-I748 PolarHBondContact O-N 2.91Å; N745-V749 WeakPolarHBondContact O-CB 3.37Å; N745-V749 VanDerWaalsContact O-CG2 3.29Å; N745-V749 WeakPolarHBondContact O-CG2 2.96Å; N745-V749 PolarHBondContact O-N 2.98Å; N745-N770 WeakPolarHBondContact CB-O 3.47Å; N745-N770 PolarHBondContact ND2-O 3.2Å
746	A	86.6	Confident	83.2	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-46.6	169.5	0	0	0	0	0	111.8	F742 V744 R750 I778	F742-A746 HydrophobicContact CE1-CB 4.46Å; F742-A746 HydrophobicContact CE2-CB 4.26Å; F742-A746 HydrophobicContact CZ-CB 4.21Å; F742-A746 WeakPolarHBondContact O-CB 3.32Å; F742-A746 PolarHBondContact O-N 3.39Å; V744-A746 VanDerWaalsContact C-N 3.27Å; V744-A746 PolarHBondContact O-N 2.78Å; A746-R750 VanDerWaalsContact O-CB 3.28Å; A746-R750 WeakPolarHBondContact O-CB 3.28Å; A746-R750 PolarHBondContact O-N 3.08Å; A746-I778 HydrophobicContact CB-CD1 3.52Å
747	S	85.5	Confident	84.9	Confident	7 Å²	7	33 Å²	33	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-42.7	177.5	-165.3	0	0	0	0	112	N743 V744 R750 D751	N743-S747 PolarHBondContact O-N 3.35Å; V744-S747 PolarHBondContact O-N 2.89Å; V744-S747 VanDerWaalsContact O-N 3.09Å; S747-R750 PolarHBondContact O-N 2.86Å; S747-R750 PolarHBondContact OG-NH2 3.42Å; S747-D751 WeakPolarHBondContact O-CB 3.36Å; S747-D751 PolarHBondContact O-N 2.84Å
748	I	88.8	Confident	86.2	Confident	47 Å²	47	36.5 Å²	36.5	24%	0.241	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-50.2	179.1	-67.3	169	0	0	0	110.3	A728 V744 N745 R750 D751 L752	A728-I748 HydrophobicContact CB-CG2 3.75Å; V744-I748 HydrophobicContact CG1-CD1 3.68Å; V744-I748 HydrophobicContact CG1-CG1 4.34Å; V744-I748 WeakPolarHBondContact O-CG1 3.49Å; V744-I748 PolarHBondContact O-N 2.91Å; N745-I748 PolarHBondContact O-N 2.91Å; I748-R750 VanDerWaalsContact C-N 3.35Å; I748-R750 PolarHBondContact O-N 3Å; I748-D751 PolarHBondContact O-N 2.76Å; I748-L752 HydrophobicContact CG2-CD1 3.88Å; I748-L752 HydrophobicContact CG2-CG 4.49Å; I748-L752 VanDerWaalsContact O-CG 3.3Å; I748-L752 WeakPolarHBondContact O-CG 2.93Å; I748-L752 PolarHBondContact O-N 3.08Å
749	V	92.1	Very high	87.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-42.4	-179.6	171	0	0	0	0	110.8	N745 L752 V753 I767 T775 A779	N745-V749 WeakPolarHBondContact O-CB 3.37Å; N745-V749 VanDerWaalsContact O-CG2 3.29Å; N745-V749 WeakPolarHBondContact O-CG2 2.96Å; N745-V749 PolarHBondContact O-N 2.98Å; V749-L752 PolarHBondContact O-N 3.07Å; V749-V753 HydrophobicContact CG1-CG2 3.97Å; V749-V753 VanDerWaalsContact O-CB 3.28Å; V749-V753 WeakPolarHBondContact O-CB 3.32Å; V749-V753 WeakPolarHBondContact O-CG2 3.05Å; V749-V753 PolarHBondContact O-N 3.32Å; V749-I767 HydrophobicContact CG1-CD1 4.19Å; V749-T775 HydrophobicContact CG2-CG2 4.02Å; V749-A779 HydrophobicContact CG1-CB 4.36Å
750	R	90.3	Very high	88.6	Confident	17 Å²	17	28 Å²	28	6%	0.064	14%	0.144	C	C	.	.	H	α-helix	trans	-58.2	-52.7	175.8	174.4	175.1	60.4	-150.9	-6.8	111.7	A746 S747 I748 L752 V753 E754 I778 V782 H974	A746-R750 VanDerWaalsContact O-CB 3.28Å; A746-R750 WeakPolarHBondContact O-CB 3.28Å; A746-R750 PolarHBondContact O-N 3.08Å; S747-R750 PolarHBondContact O-N 2.86Å; S747-R750 PolarHBondContact OG-NH2 3.42Å; I748-R750 VanDerWaalsContact C-N 3.35Å; I748-R750 PolarHBondContact O-N 3Å; R750-L752 VanDerWaalsContact C-N 3.3Å; R750-L752 PolarHBondContact O-N 2.85Å; R750-V753 PolarHBondContact O-N 2.95Å; R750-E754 WeakPolarHBondContact O-CG 3.48Å; R750-E754 PolarHBondContact O-N 2.74Å; R750-I778 HydrophobicContact CB-CG2 4.18Å; R750-V782 HydrophobicContact CB-CG2 4.31Å; R750-V782 HydrophobicContact CG-CG2 3.8Å; R750-H974 PolarHBondContact NH1-O 2.88Å
751	D	90.2	Very high	89.6	Confident	57 Å²	57	28.7 Å²	28.7	31%	0.305	15%	0.15	S	C	.	.	H	α-helix	trans	-62.2	-40	-175.8	-64.2	-3.3	0	0	0	110.5	S747 I748 G755 R981	S747-D751 WeakPolarHBondContact O-CB 3.36Å; S747-D751 PolarHBondContact O-N 2.84Å; I748-D751 PolarHBondContact O-N 2.76Å; D751-G755 PolarHBondContact O-N 3.38Å; D751-R981 IonicContact OD2-CZ 3.83Å; D751-R981 IonicContact OD2-NH1 2.74Å; D751-R981 PolarHBondContact OD2-NH1 3.24Å; D751-R981 IonicContact OD2-NH2 3.8Å
752	L	94.7	Very high	90.4	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-45.3	175.8	-67.2	174.7	0	0	0	112.7	L658 Y684 L714 I726 A728 I748 V749 R750 E754 G755 V756	L658-L752 HydrophobicContact CB-CD1 3.99Å; L658-L752 HydrophobicContact CB-CD2 4.35Å; L658-L752 HydrophobicContact CD1-CB 4.04Å; L658-L752 HydrophobicContact CD1-CD1 4.39Å; L658-L752 HydrophobicContact CD1-CD2 4.14Å; L658-L752 HydrophobicContact CD1-CG 4.42Å; Y684-L752 HydrophobicContact CD1-CD2 4.2Å; Y684-L752 HydrophobicContact CE1-CD2 3.67Å; L714-L752 HydrophobicContact CD1-CD2 4.16Å; L714-L752 HydrophobicContact CD2-CD2 4.32Å; I726-L752 HydrophobicContact CD1-CB 4.42Å; I726-L752 HydrophobicContact CG2-CD1 3.75Å; A728-L752 HydrophobicContact CB-CD1 3.51Å; I748-L752 HydrophobicContact CG2-CD1 3.88Å; I748-L752 HydrophobicContact CG2-CG 4.49Å; I748-L752 VanDerWaalsContact O-CG 3.3Å; I748-L752 WeakPolarHBondContact O-CG 2.93Å; I748-L752 PolarHBondContact O-N 3.08Å; V749-L752 PolarHBondContact O-N 3.07Å; R750-L752 VanDerWaalsContact C-N 3.3Å; R750-L752 PolarHBondContact O-N 2.85Å; L752-E754 VanDerWaalsContact C-N 3.3Å; L752-E754 PolarHBondContact O-N 2.92Å; L752-G755 WeakPolarHBondContact O-CA 3.48Å; L752-G755 PolarHBondContact O-N 3.31Å; L752-G755 VanDerWaalsContact O-N 3.08Å; L752-V756 WeakPolarHBondContact O-CG2 3.12Å; L752-V756 PolarHBondContact O-N 2.95Å
753	V	95.2	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-29.8	-179.2	174.5	0	0	0	0	111.5	I726 V749 R750 G755 V756 A757 I767 A779 V782 L783	I726-V753 HydrophobicContact CD1-CG2 4.02Å; V749-V753 HydrophobicContact CG1-CG2 3.97Å; V749-V753 VanDerWaalsContact O-CB 3.28Å; V749-V753 WeakPolarHBondContact O-CB 3.32Å; V749-V753 WeakPolarHBondContact O-CG2 3.05Å; V749-V753 PolarHBondContact O-N 3.32Å; R750-V753 PolarHBondContact O-N 2.95Å; V753-G755 VanDerWaalsContact C-N 3.32Å; V753-V756 PolarHBondContact O-N 2.89Å; V753-A757 WeakPolarHBondContact O-CB 3.47Å; V753-A757 PolarHBondContact O-N 3.11Å; V753-I767 HydrophobicContact CG2-CD1 4.28Å; V753-A779 HydrophobicContact CG1-CB 4.14Å; V753-A779 HydrophobicContact CG2-CB 3.84Å; V753-V782 HydrophobicContact CB-CG1 4.28Å; V753-V782 HydrophobicContact CG1-CB 4.06Å; V753-V782 HydrophobicContact CG1-CG1 3.85Å; V753-L783 HydrophobicContact CG1-CD1 4.27Å; V753-L783 HydrophobicContact CG1-CD2 3.92Å; V753-L783 HydrophobicContact CG1-CG 3.72Å
754	E	93.1	Very high	91.5	Very high	65 Å²	65	31.3 Å²	31.3	30%	0.304	17%	0.165	S	C	.	.	H	α-helix	trans	-61.3	-41.8	168.6	-77.4	-171.5	-179.2	0	0	111.7	R750 L752 A757 Q758 V782	R750-E754 WeakPolarHBondContact O-CG 3.48Å; R750-E754 PolarHBondContact O-N 2.74Å; L752-E754 VanDerWaalsContact C-N 3.3Å; L752-E754 PolarHBondContact O-N 2.92Å; E754-A757 PolarHBondContact O-N 2.82Å; E754-Q758 PolarHBondContact O-N 2.83Å; E754-V782 HydrophobicContact CB-CG1 4.36Å; E754-V782 HydrophobicContact CG-CG1 3.46Å; E754-V782 VanDerWaalsContact CG-CG1 3.46Å
755	G	93	Very high	92.4	Very high	6 Å²	6	30.8 Å²	30.8	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-40	172.3	0	0	0	0	0	112.8	D751 L752 V753 Q758 H759	D751-G755 PolarHBondContact O-N 3.38Å; L752-G755 WeakPolarHBondContact O-CA 3.48Å; L752-G755 PolarHBondContact O-N 3.31Å; L752-G755 VanDerWaalsContact O-N 3.08Å; V753-G755 VanDerWaalsContact C-N 3.32Å; G755-Q758 PolarHBondContact O-N 3.34Å; G755-H759 PolarHBondContact O-CD2 2.82Å; G755-H759 PolarHBondContact O-N 2.86Å
756	V	95.7	Very high	92.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-47.2	173.8	177.3	0	0	0	0	111.3	L658 L718 I724 L752 V753 Q758 H759 A760 V765	L658-V756 HydrophobicContact CD1-CG2 4.27Å; L718-V756 HydrophobicContact CD1-CG2 4.11Å; L718-V756 HydrophobicContact CD2-CG2 4.06Å; I724-V756 HydrophobicContact CD1-CB 4.28Å; I724-V756 HydrophobicContact CD1-CG1 3.54Å; I724-V756 HydrophobicContact CD1-CG2 3.8Å; I724-V756 HydrophobicContact CG2-CG2 4.3Å; L752-V756 WeakPolarHBondContact O-CG2 3.12Å; L752-V756 PolarHBondContact O-N 2.95Å; V753-V756 PolarHBondContact O-N 2.89Å; V756-Q758 PolarHBondContact O-N 2.9Å; V756-H759 PolarHBondContact O-N 2.86Å; V756-A760 CarbonylContact O-C 3.45Å; V756-A760 WeakPolarHBondContact O-CA 3.42Å; V756-A760 PolarHBondContact O-N 3.26Å; V756-V765 HydrophobicContact CG1-CG2 3.74Å
757	A	94.4	Very high	93.2	Very high	10 Å²	10	30.4 Å²	30.4	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-32.3	178.5	0	0	0	0	0	112.5	V753 E754 L783 K786 V788	V753-A757 WeakPolarHBondContact O-CB 3.47Å; V753-A757 PolarHBondContact O-N 3.11Å; E754-A757 PolarHBondContact O-N 2.82Å; A757-L783 HydrophobicContact CB-CD2 3.97Å; A757-K786 HydrophobicContact CB-CB 3.73Å; A757-K786 HydrophobicContact CB-CG 3.76Å; A757-V788 HydrophobicContact CB-CG2 3.69Å
758	Q	93.3	Very high	93.6	Very high	139 Å²	139	30.9 Å²	30.9	65%	0.65	16%	0.161	S	C	*	.	H	α-helix	trans	-83.9	-40.2	-178.4	-175.1	173.1	-5.5	0	0	113.4	E754 G755 V756	E754-Q758 PolarHBondContact O-N 2.83Å; G755-Q758 PolarHBondContact O-N 3.34Å; V756-Q758 PolarHBondContact O-N 2.9Å
759	H	95.5	Very high	93.8	Very high	81 Å²	81	28.8 Å²	28.8	38%	0.375	15%	0.151	S	C	.	.	H	α-helix	trans	-113	-17.5	-167.7	-63.8	-71.5	0	0	0	114.7	L718 G755 V756	L718-H759 HydrophobicContact CB-CB 3.97Å; L718-H759 HydrophobicContact CD1-CB 4.3Å; G755-H759 PolarHBondContact O-CD2 2.82Å; G755-H759 PolarHBondContact O-N 2.86Å; V756-H759 PolarHBondContact O-N 2.86Å
760	A	95.5	Very high	93.6	Very high	7 Å²	7	31.1 Å²	31.1	6%	0.058	16%	0.163	C	C	.	.			trans	-147.8	55.9	-178.8	0	0	0	0	0	112.2	L718 I724 V756 N762 A763	L718-A760 HydrophobicContact CB-CB 4.13Å; I724-A760 HydrophobicContact CD1-CB 3.9Å; V756-A760 CarbonylContact O-C 3.45Å; V756-A760 WeakPolarHBondContact O-CA 3.42Å; V756-A760 PolarHBondContact O-N 3.26Å; A760-N762 PolarHBondContact O-N 3.46Å; A760-N762 VanDerWaalsContact O-N 3.14Å; A760-A763 HydrophobicContact CB-CB 4.04Å; A760-A763 WeakPolarHBondContact O-CB 3.34Å; A760-A763 PolarHBondContact O-N 3.4Å; A760-A763 VanDerWaalsContact O-N 3.12Å
761	P	93	Very high	93.6	Very high	53 Å²	53	31.6 Å²	31.6	34%	0.344	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.8	-172.5	27.1	-36.4	0	0	0	114.1	V788	P761-V788 HydrophobicContact CB-CB 3.92Å; P761-V788 HydrophobicContact CB-CG1 3.84Å; P761-V788 HydrophobicContact CB-CG2 4.35Å
762	N	91.4	Very high	93.8	Very high	125 Å²	125	29 Å²	29	67%	0.668	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.7	-179.4	-63.3	-32.8	0	0	0	113.2	A760 R793	A760-N762 PolarHBondContact O-N 3.46Å; A760-N762 VanDerWaalsContact O-N 3.14Å; N762-R793 WeakPolarHBondContact O-CD 3.36Å; N762-R793 PolarHBondContact O-NH1 3.47Å
763	A	93.9	Very high	93.8	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.033	15%	0.151	C	C	.	.	S	Bend	trans	-71.4	152.2	-178.4	0	0	0	0	0	111.7	A721 I724 A760	A721-A763 VanDerWaalsContact O-CB 3.3Å; A721-A763 WeakPolarHBondContact O-CB 3.29Å; I724-A763 HydrophobicContact CD1-CB 3.41Å; I724-A763 VanDerWaalsContact CD1-CB 3.41Å; I724-A763 HydrophobicContact CG1-CB 3.85Å; A760-A763 HydrophobicContact CB-CB 4.04Å; A760-A763 WeakPolarHBondContact O-CB 3.34Å; A760-A763 PolarHBondContact O-N 3.4Å; A760-A763 VanDerWaalsContact O-N 3.12Å
764	I	94.7	Very high	93.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.1	168.1	-62.6	-177.8	0	0	0	108.9	D722 V723 I724 R793 F795 L899 L903	D722-I764 PolarHBondContact O-N 2.83Å; V723-I764 CarbonylContact C-O 3.5Å; V723-I764 WeakPolarHBondContact CA-O 3.11Å; I724-I764 PolarHBondContact N-O 2.96Å; I764-R793 CarbonylContact C-O 3.47Å; I764-R793 WeakPolarHBondContact CA-O 3.43Å; I764-R793 HydrophobicContact CG1-CB 4.41Å; I764-R793 HydrophobicContact CG1-CG 4.31Å; I764-F795 HydrophobicContact CG2-CD2 3.6Å; I764-F795 HydrophobicContact CG2-CE2 3.57Å; I764-L899 HydrophobicContact CD1-CD1 3.96Å; I764-L899 HydrophobicContact CG2-CD1 4.49Å; I764-L899 HydrophobicContact CG2-CD2 3.84Å; I764-L903 HydrophobicContact CD1-CD1 4.29Å; I764-L903 HydrophobicContact CD1-CD2 3.78Å; I764-L903 HydrophobicContact CD1-CG 4.37Å
765	V	96.1	Very high	93.8	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.03	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.7	-177.5	-173.5	0	0	0	0	110	I726 V756 I767 R793 L794 F795	I726-V765 HydrophobicContact CD1-CG1 3.99Å; V756-V765 HydrophobicContact CG1-CG2 3.74Å; V765-I767 HydrophobicContact CG1-CD1 3.75Å; V765-I767 HydrophobicContact CG1-CG1 4.42Å; V765-R793 PolarHBondContact N-O 3.19Å; V765-L794 HydrophobicContact CB-CD1 4.04Å; V765-L794 HydrophobicContact CG1-CD1 4.09Å; V765-F795 PolarHBondContact O-N 3.13Å
766	C	96	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.1	177.2	-48.9	0	0	0	0	110	I724 L725 I726 F795 V797 F886	I724-C766 PolarHBondContact O-N 2.86Å; L725-C766 HydrophobicContact CD2-CB 3.57Å; I726-C766 PolarHBondContact N-O 2.81Å; C766-F795 CarbonylContact C-O 3.26Å; C766-F795 WeakPolarHBondContact CA-O 3.46Å; C766-V797 HydrophobicContact CB-CG2 3.7Å; C766-F886 HydrophobicContact CB-CD1 4.47Å; C766-F886 HydrophobicContact CB-CE1 4.41Å
767	I	95.8	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.2	179	-53.4	-58.9	0	0	0	109.4	I726 V749 V753 V765 T775 V776 A779 L794 F795 V797	I726-I767 HydrophobicContact CB-CD1 4.03Å; I726-I767 HydrophobicContact CD1-CD1 3.71Å; I726-I767 HydrophobicContact CG1-CD1 4.12Å; V749-I767 HydrophobicContact CG1-CD1 4.19Å; V753-I767 HydrophobicContact CG2-CD1 4.28Å; V765-I767 HydrophobicContact CG1-CD1 3.75Å; V765-I767 HydrophobicContact CG1-CG1 4.42Å; I767-T775 WeakPolarHBondContact CG2-OG1 3.42Å; I767-V776 HydrophobicContact CB-CG2 3.78Å; I767-V776 HydrophobicContact CG1-CG2 4.11Å; I767-V776 HydrophobicContact CG2-CG2 4.16Å; I767-A779 HydrophobicContact CD1-CB 4.34Å; I767-A779 HydrophobicContact CG1-CB 4.32Å; I767-L794 HydrophobicContact CG1-CD1 4.07Å; I767-F795 PolarHBondContact N-O 3.2Å; I767-V797 PolarHBondContact O-N 3.37Å
768	I	93.4	Very high	93.9	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.082	13%	0.131	C	C	.	.			trans	-106.5	-20.3	173.5	-55.4	163.6	0	0	0	109.9	M668 L725 I726 N770 V797	M668-I768 HydrophobicContact CE-CD1 4.27Å; M668-I768 HydrophobicContact SD-CD1 3.69Å; L725-I768 HydrophobicContact CB-CD1 4.46Å; I726-I768 PolarHBondContact O-N 2.9Å; I768-N770 PolarHBondContact O-N 2.95Å; I768-V797 HydrophobicContact CG1-CB 3.99Å; I768-V797 HydrophobicContact CG1-CG2 3.84Å
769	S	91.9	Very high	93.9	Very high	3 Å²	3	18 Å²	18	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-61.3	124.9	-176.5	-165.9	0	0	0	0	112.8	I726 A728 T775	I726-S769 PolarHBondContact O-N 3.3Å; I726-S769 VanDerWaalsContact O-N 3.09Å; A728-S769 VanDerWaalsContact O-CB 3.23Å; A728-S769 WeakPolarHBondContact O-CB 3.04Å; A728-S769 PolarHBondContact O-OG 2.91Å; S769-T775 PolarHBondContact O-OG1 2.97Å
770	N	88.6	Confident	93.9	Very high	50 Å²	50	14.1 Å²	14.1	27%	0.267	8%	0.082	S	C	.	.	S	Bend	trans	-80.1	148.2	-177.1	-87.4	-40.8	0	0	0	113.1	N745 I768	N745-N770 WeakPolarHBondContact CB-O 3.47Å; N745-N770 PolarHBondContact ND2-O 3.2Å; I768-N770 PolarHBondContact O-N 2.95Å
771	P	90.4	Very high	93.8	Very high	27 Å²	27	16.8 Å²	16.8	18%	0.175	9%	0.093	C	C	.	.	P	Polyproline II helix	cis	-81.1	120.9	-5.2	30.4	-31.1	0	0	0	111.5	F742 N773 S774 T775	F742-P771 HydrophobicContact CD2-CG 3.88Å; P771-N773 PolarHBondContact O-N 3.25Å; P771-S774 PolarHBondContact O-N 3.29Å; P771-T775 PolarHBondContact O-N 3.29Å; P771-T775 PolarHBondContact O-OG1 2.95Å; P771-T775 VanDerWaalsContact O-OG1 3.09Å
772	V	93.6	Very high	93.8	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-55.6	-37.7	-176.2	176.7	0	0	0	0	112.2	S774 T775 V776 H828 L914	V772-S774 PolarHBondContact O-N 3.33Å; V772-T775 VanDerWaalsContact CA-OG1 3.3Å; V772-T775 WeakPolarHBondContact CA-OG1 3.47Å; V772-T775 PolarHBondContact O-N 3.34Å; V772-V776 HydrophobicContact CG1-CG2 3.83Å; V772-V776 WeakPolarHBondContact O-CB 3.39Å; V772-V776 WeakPolarHBondContact O-CG2 3.42Å; V772-V776 PolarHBondContact O-N 3.1Å; V772-H828 HydrophobicContact CB-CB 4.1Å; V772-L914 HydrophobicContact CG1-CD2 4.03Å
773	N	94.8	Very high	94	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-57.3	-19.4	176.5	-67.1	-7.4	0	0	0	114.3	P771 P777 G827 H828 T832 L961 N964	P771-N773 PolarHBondContact O-N 3.25Å; N773-P777 WeakPolarHBondContact O-CD 3.19Å; N773-P777 WeakPolarHBondContact O-CG 3.48Å; N773-G827 WeakPolarHBondContact OD1-CA 3.46Å; N773-H828 PolarHBondContact ND2-N 3.17Å; N773-H828 PolarHBondContact OD1-N 3.14Å; N773-T832 PolarHBondContact ND2-OG1 3.22Å; N773-T832 VanDerWaalsContact ND2-OG1 3.11Å; N773-L961 HydrophobicContact CB-CD1 4.19Å; N773-N964 HydrophobicContact CB-CB 3.8Å
774	S	94.4	Very high	94	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-117.8	-33.7	179.8	-50.7	0	0	0	0	113	P771 V772 P777 I778 N964	P771-S774 PolarHBondContact O-N 3.29Å; V772-S774 PolarHBondContact O-N 3.33Å; S774-P777 WeakPolarHBondContact O-CD 3.19Å; S774-I778 WeakPolarHBondContact O-CD1 3.37Å; S774-I778 VanDerWaalsContact O-CG1 3.26Å; S774-I778 WeakPolarHBondContact O-CG1 3.41Å; S774-I778 PolarHBondContact O-N 3.19Å; S774-I778 VanDerWaalsContact O-N 3.15Å; S774-N964 WeakPolarHBondContact CB-O 3.45Å; S774-N964 PolarHBondContact OG-O 3.33Å
775	T	94.1	Very high	93.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.6	-31.3	179.1	51	0	0	0	0	112.7	V749 I767 S769 P771 V772 I778 A779	V749-T775 HydrophobicContact CG2-CG2 4.02Å; I767-T775 WeakPolarHBondContact CG2-OG1 3.42Å; S769-T775 PolarHBondContact O-OG1 2.97Å; P771-T775 PolarHBondContact O-N 3.29Å; P771-T775 PolarHBondContact O-OG1 2.95Å; P771-T775 VanDerWaalsContact O-OG1 3.09Å; V772-T775 VanDerWaalsContact CA-OG1 3.3Å; V772-T775 WeakPolarHBondContact CA-OG1 3.47Å; V772-T775 PolarHBondContact O-N 3.34Å; T775-I778 WeakPolarHBondContact O-CB 3.37Å; T775-I778 PolarHBondContact O-N 3.08Å; T775-A779 PolarHBondContact O-N 3.28Å
776	V	96.2	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.6	-49.9	173.4	171.6	0	0	0	0	112	I767 V772 I778 A779 A780 L794 G796 L914 F925	I767-V776 HydrophobicContact CB-CG2 3.78Å; I767-V776 HydrophobicContact CG1-CG2 4.11Å; I767-V776 HydrophobicContact CG2-CG2 4.16Å; V772-V776 HydrophobicContact CG1-CG2 3.83Å; V772-V776 WeakPolarHBondContact O-CB 3.39Å; V772-V776 WeakPolarHBondContact O-CG2 3.42Å; V772-V776 PolarHBondContact O-N 3.1Å; V776-I778 PolarHBondContact O-N 2.96Å; V776-A779 WeakPolarHBondContact O-CB 3.38Å; V776-A779 PolarHBondContact O-N 2.83Å; V776-A779 VanDerWaalsContact O-N 3.11Å; V776-A780 PolarHBondContact O-N 2.92Å; V776-L794 HydrophobicContact CG1-CD2 4.16Å; V776-L794 HydrophobicContact CG1-CG 4.28Å; V776-G796 VanDerWaalsContact CG2-CA 3.45Å; V776-L914 HydrophobicContact CB-CD2 3.89Å; V776-L914 HydrophobicContact CG1-CD2 4.18Å; V776-L914 HydrophobicContact CG2-CD2 4.04Å; V776-F925 HydrophobicContact CG1-CD1 3.98Å; V776-F925 HydrophobicContact CG1-CE1 4.12Å
777	P	95.3	Very high	93.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.2	-37.2	170.4	-28.5	31.8	0	0	0	114.1	N773 S774 A780 Q781 F925 I965 L969	N773-P777 WeakPolarHBondContact O-CD 3.19Å; N773-P777 WeakPolarHBondContact O-CG 3.48Å; S774-P777 WeakPolarHBondContact O-CD 3.19Å; P777-A780 PolarHBondContact O-N 3.37Å; P777-Q781 WeakPolarHBondContact O-CG 3.42Å; P777-Q781 PolarHBondContact O-N 3.29Å; P777-Q781 VanDerWaalsContact O-N 3.07Å; P777-F925 HydrophobicContact CB-CD2 4.25Å; P777-F925 HydrophobicContact CB-CE2 4.15Å; P777-F925 HydrophobicContact CG-CD2 3.84Å; P777-F925 HydrophobicContact CG-CE2 4.22Å; P777-F925 HydrophobicContact CG-CG 4.2Å; P777-I965 HydrophobicContact CG-CB 4.42Å; P777-I965 HydrophobicContact CG-CG1 4.27Å; P777-I965 HydrophobicContact CG-CG2 4.17Å; P777-L969 HydrophobicContact CB-CD2 4Å; P777-L969 HydrophobicContact CB-CG 4.17Å
778	I	93.7	Very high	93.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-50.5	174.6	-69.8	161.8	0	0	0	110.3	F742 A746 R750 S774 T775 V776 A780 Q781 V782 G968	F742-I778 HydrophobicContact CE2-CD1 3.9Å; F742-I778 HydrophobicContact CZ-CD1 4.02Å; A746-I778 HydrophobicContact CB-CD1 3.52Å; R750-I778 HydrophobicContact CB-CG2 4.18Å; S774-I778 WeakPolarHBondContact O-CD1 3.37Å; S774-I778 VanDerWaalsContact O-CG1 3.26Å; S774-I778 WeakPolarHBondContact O-CG1 3.41Å; S774-I778 PolarHBondContact O-N 3.19Å; S774-I778 VanDerWaalsContact O-N 3.15Å; T775-I778 WeakPolarHBondContact O-CB 3.37Å; T775-I778 PolarHBondContact O-N 3.08Å; V776-I778 PolarHBondContact O-N 2.96Å; I778-A780 VanDerWaalsContact C-N 3.3Å; I778-A780 PolarHBondContact O-N 3.18Å; I778-Q781 PolarHBondContact O-N 3.32Å; I778-V782 HydrophobicContact CG2-CG2 4.36Å; I778-V782 WeakPolarHBondContact O-CG2 3.45Å; I778-V782 PolarHBondContact O-N 3.28Å; I778-G968 WeakPolarHBondContact CG1-O 3.47Å
779	A	94.9	Very high	93.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-43.6	178.6	0	0	0	0	0	111.6	V749 V753 I767 T775 V776 Q781 V782 L783 L794	V749-A779 HydrophobicContact CG1-CB 4.36Å; V753-A779 HydrophobicContact CG1-CB 4.14Å; V753-A779 HydrophobicContact CG2-CB 3.84Å; I767-A779 HydrophobicContact CD1-CB 4.34Å; I767-A779 HydrophobicContact CG1-CB 4.32Å; T775-A779 PolarHBondContact O-N 3.28Å; V776-A779 WeakPolarHBondContact O-CB 3.38Å; V776-A779 PolarHBondContact O-N 2.83Å; V776-A779 VanDerWaalsContact O-N 3.11Å; A779-Q781 PolarHBondContact O-N 3.02Å; A779-V782 PolarHBondContact O-N 3.38Å; A779-L783 VanDerWaalsContact O-CG 3.3Å; A779-L783 WeakPolarHBondContact O-CG 3.48Å; A779-L783 PolarHBondContact O-N 3.41Å; A779-L794 HydrophobicContact CB-CD1 3.97Å; A779-L794 HydrophobicContact CB-CD2 4.19Å
780	A	95.2	Very high	93.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.7	-45.8	176.4	0	0	0	0	0	112	V776 P777 I778 L783 K784 Y789 L794 F925	V776-A780 PolarHBondContact O-N 2.92Å; P777-A780 PolarHBondContact O-N 3.37Å; I778-A780 VanDerWaalsContact C-N 3.3Å; I778-A780 PolarHBondContact O-N 3.18Å; A780-L783 PolarHBondContact O-N 3.37Å; A780-K784 WeakPolarHBondContact O-CB 3.46Å; A780-K784 VanDerWaalsContact O-CG 3.24Å; A780-K784 WeakPolarHBondContact O-CG 3.32Å; A780-K784 PolarHBondContact O-N 2.77Å; A780-Y789 HydrophobicContact CB-CD2 4.31Å; A780-Y789 HydrophobicContact CB-CE2 3.58Å; A780-L794 HydrophobicContact CB-CD2 3.69Å; A780-F925 HydrophobicContact CB-CE1 4.18Å; A780-F925 HydrophobicContact CB-CZ 3.62Å
781	Q	93.2	Very high	93.8	Very high	63 Å²	63	33.6 Å²	33.6	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-66	-39.4	178.5	-72.9	-61.6	-32.2	0	0	112.9	P777 I778 A779 K784 K785 L969 S972	P777-Q781 WeakPolarHBondContact O-CG 3.42Å; P777-Q781 PolarHBondContact O-N 3.29Å; P777-Q781 VanDerWaalsContact O-N 3.07Å; I778-Q781 PolarHBondContact O-N 3.32Å; A779-Q781 PolarHBondContact O-N 3.02Å; Q781-K784 PolarHBondContact O-N 3.31Å; Q781-K785 VanDerWaalsContact O-CB 3.3Å; Q781-K785 WeakPolarHBondContact O-CB 3.45Å; Q781-K785 PolarHBondContact O-N 2.93Å; Q781-L969 HydrophobicContact CG-CD2 3.56Å; Q781-S972 WeakPolarHBondContact CB-OG 3.27Å
782	V	92.6	Very high	93.9	Very high	6 Å²	6	38 Å²	38	4%	0.036	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-48.5	175.7	172.5	0	0	0	0	110.6	R750 V753 E754 I778 A779 K784 K785 K786	R750-V782 HydrophobicContact CB-CG2 4.31Å; R750-V782 HydrophobicContact CG-CG2 3.8Å; V753-V782 HydrophobicContact CB-CG1 4.28Å; V753-V782 HydrophobicContact CG1-CB 4.06Å; V753-V782 HydrophobicContact CG1-CG1 3.85Å; E754-V782 HydrophobicContact CB-CG1 4.36Å; E754-V782 HydrophobicContact CG-CG1 3.46Å; E754-V782 VanDerWaalsContact CG-CG1 3.46Å; I778-V782 HydrophobicContact CG2-CG2 4.36Å; I778-V782 WeakPolarHBondContact O-CG2 3.45Å; I778-V782 PolarHBondContact O-N 3.28Å; A779-V782 PolarHBondContact O-N 3.38Å; V782-K784 PolarHBondContact O-N 3.41Å; V782-K785 PolarHBondContact O-N 2.86Å; V782-K786 VanDerWaalsContact O-CG 3.31Å; V782-K786 WeakPolarHBondContact O-CG 3.45Å; V782-K786 PolarHBondContact O-N 2.77Å
783	L	95.1	Very high	94	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-40.3	177.7	-67.7	168.5	0	0	0	111.9	V753 A757 A779 A780 K786 G787 V788 Y789	V753-L783 HydrophobicContact CG1-CD1 4.27Å; V753-L783 HydrophobicContact CG1-CD2 3.92Å; V753-L783 HydrophobicContact CG1-CG 3.72Å; A757-L783 HydrophobicContact CB-CD2 3.97Å; A779-L783 VanDerWaalsContact O-CG 3.3Å; A779-L783 WeakPolarHBondContact O-CG 3.48Å; A779-L783 PolarHBondContact O-N 3.41Å; A780-L783 PolarHBondContact O-N 3.37Å; L783-K786 CarbonylContact O-C 3.53Å; L783-K786 PolarHBondContact O-N 3.16Å; L783-G787 PolarHBondContact O-N 2.67Å; L783-V788 HydrophobicContact CD2-CG2 3.87Å; L783-V788 PolarHBondContact O-N 3.31Å; L783-V788 VanDerWaalsContact O-N 3.12Å; L783-Y789 HydrophobicContact CB-CD2 3.83Å; L783-Y789 HydrophobicContact CB-CG 4.35Å; L783-Y789 HydrophobicContact CD1-CD2 4.17Å; L783-Y789 PolarHBondContact O-N 2.67Å
784	K	94.3	Very high	94	Very high	79 Å²	79	40.8 Å²	40.8	34%	0.343	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-45.8	176	-77.2	176	-175.5	-177.5	0	110.1	A780 Q781 V782 K786 G787 Y789 E916	A780-K784 WeakPolarHBondContact O-CB 3.46Å; A780-K784 VanDerWaalsContact O-CG 3.24Å; A780-K784 WeakPolarHBondContact O-CG 3.32Å; A780-K784 PolarHBondContact O-N 2.77Å; Q781-K784 PolarHBondContact O-N 3.31Å; V782-K784 PolarHBondContact O-N 3.41Å; K784-K786 VanDerWaalsContact C-N 3.28Å; K784-K786 PolarHBondContact O-N 3.26Å; K784-G787 PolarHBondContact O-N 2.73Å; K784-G787 VanDerWaalsContact O-N 3.09Å; K784-Y789 HydrophobicContact CD-CD1 4.08Å; K784-Y789 HydrophobicContact CD-CE1 4.32Å; K784-Y789 HydrophobicContact CD-CG 4.39Å; K784-Y789 HydrophobicContact CG-CD1 3.58Å; K784-Y789 HydrophobicContact CG-CD2 4.21Å; K784-Y789 HydrophobicContact CG-CE1 4.28Å; K784-Y789 HydrophobicContact CG-CG 3.52Å; K784-E916 IonicContact NZ-OE1 3.14Å; K784-E916 PolarHBondContact NZ-OE1 3.47Å; K784-E916 IonicContact NZ-OE2 3.24Å
785	K	90.6	Very high	94.1	Very high	170 Å²	170	40.7 Å²	40.7	74%	0.739	20%	0.203	S	C	*	.	H	α-helix	trans	-62.7	-33.2	176.9	-174.3	-179.7	179.9	-176	0	112.8	Q781 V782 G787	Q781-K785 VanDerWaalsContact O-CB 3.3Å; Q781-K785 WeakPolarHBondContact O-CB 3.45Å; Q781-K785 PolarHBondContact O-N 2.93Å; V782-K785 PolarHBondContact O-N 2.86Å; K785-G787 VanDerWaalsContact C-N 3.33Å
786	K	92.1	Very high	94.2	Very high	103 Å²	103	40.7 Å²	40.7	45%	0.448	20%	0.203	S	C	.	.	H	α-helix	trans	-84.8	-4.2	176.7	-65	-72.8	-174	171.3	0	113.5	A757 V782 L783 K784 V788	A757-K786 HydrophobicContact CB-CB 3.73Å; A757-K786 HydrophobicContact CB-CG 3.76Å; V782-K786 VanDerWaalsContact O-CG 3.31Å; V782-K786 WeakPolarHBondContact O-CG 3.45Å; V782-K786 PolarHBondContact O-N 2.77Å; L783-K786 CarbonylContact O-C 3.53Å; L783-K786 PolarHBondContact O-N 3.16Å; K784-K786 VanDerWaalsContact C-N 3.28Å; K784-K786 PolarHBondContact O-N 3.26Å; K786-V788 HydrophobicContact CB-CG2 4.13Å
787	G	92	Very high	94.1	Very high	68 Å²	68	41 Å²	41	70%	0.701	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	16.4	176.5	0	0	0	0	0	115.3	L783 K784 K785	L783-G787 PolarHBondContact O-N 2.67Å; K784-G787 PolarHBondContact O-N 2.73Å; K784-G787 VanDerWaalsContact O-N 3.09Å; K785-G787 VanDerWaalsContact C-N 3.33Å
788	V	94.2	Very high	94.1	Very high	46 Å²	46	41.1 Å²	41.1	28%	0.279	21%	0.206	S	C	.	.			trans	-122.5	17.9	-174.4	-62.7	0	0	0	0	112.9	A757 P761 L783 K786 D790	A757-V788 HydrophobicContact CB-CG2 3.69Å; P761-V788 HydrophobicContact CB-CB 3.92Å; P761-V788 HydrophobicContact CB-CG1 3.84Å; P761-V788 HydrophobicContact CB-CG2 4.35Å; L783-V788 HydrophobicContact CD2-CG2 3.87Å; L783-V788 PolarHBondContact O-N 3.31Å; L783-V788 VanDerWaalsContact O-N 3.12Å; K786-V788 HydrophobicContact CB-CG2 4.13Å; V788-D790 PolarHBondContact O-N 2.84Å
789	Y	95.5	Very high	94	Very high	42 Å²	42	41 Å²	41	17%	0.165	21%	0.205	C	C	.	.			trans	-74.9	119.5	-178.1	-178.7	-109.5	0	0	0	112.4	A780 L783 K784 P791 L794 E916	A780-Y789 HydrophobicContact CB-CD2 4.31Å; A780-Y789 HydrophobicContact CB-CE2 3.58Å; L783-Y789 HydrophobicContact CB-CD2 3.83Å; L783-Y789 HydrophobicContact CB-CG 4.35Å; L783-Y789 HydrophobicContact CD1-CD2 4.17Å; L783-Y789 PolarHBondContact O-N 2.67Å; K784-Y789 HydrophobicContact CD-CD1 4.08Å; K784-Y789 HydrophobicContact CD-CE1 4.32Å; K784-Y789 HydrophobicContact CD-CG 4.39Å; K784-Y789 HydrophobicContact CG-CD1 3.58Å; K784-Y789 HydrophobicContact CG-CD2 4.21Å; K784-Y789 HydrophobicContact CG-CE1 4.28Å; K784-Y789 HydrophobicContact CG-CG 3.52Å; Y789-P791 HydrophobicContact CE1-CB 3.99Å; Y789-P791 HydrophobicContact CE1-CG 4.33Å; Y789-L794 HydrophobicContact CE2-CD2 3.96Å; Y789-E916 WeakPolarHBondContact CE1-OE2 3.41Å; Y789-E916 VanDerWaalsContact OH-CD 3.3Å; Y789-E916 PolarHBondContact OH-OE2 2.89Å
790	D	94.9	Very high	93.9	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.182	21%	0.207	C	C	.	.			trans	-119.3	113.7	165.4	-173.9	-14.9	0	0	0	108.5	V788 R792 R793	V788-D790 PolarHBondContact O-N 2.84Å; D790-R792 PolarHBondContact O-N 3.33Å; D790-R792 VanDerWaalsContact OD1-CB 3.3Å; D790-R792 WeakPolarHBondContact OD1-CB 3.35Å; D790-R792 WeakPolarHBondContact OD1-CG 3.49Å; D790-R792 IonicContact OD1-CZ 3.39Å; D790-R792 PolarHBondContact OD1-N 3.12Å; D790-R792 IonicContact OD1-NE 3.15Å; D790-R792 PolarHBondContact OD1-NE 2.97Å; D790-R792 IonicContact OD1-NH2 3.49Å; D790-R792 IonicContact OD2-CZ 2.74Å; D790-R792 IonicContact OD2-NE 2.69Å; D790-R792 PolarHBondContact OD2-NE 2.89Å; D790-R792 IonicContact OD2-NH2 3.94Å; D790-R792 PolarHBondContact OD2-NH2 3.1Å; D790-R793 HydrophobicContact CB-CB 4.37Å; D790-R793 HydrophobicContact CB-CG 4.18Å; D790-R793 PolarHBondContact O-N 2.88Å; D790-R793 IonicContact OD2-NE 2.59Å
791	P	93	Very high	93.9	Very high	50 Å²	50	41.3 Å²	41.3	33%	0.325	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-60.2	-20.5	179.6	24.7	-33.7	0	0	0	112.7	Y789 R793 E916	Y789-P791 HydrophobicContact CE1-CB 3.99Å; Y789-P791 HydrophobicContact CE1-CG 4.33Å; P791-R793 PolarHBondContact O-N 2.88Å; P791-E916 HydrophobicContact CB-CB 4.29Å; P791-E916 WeakPolarHBondContact CB-OE2 3.42Å
792	R	93	Very high	93.8	Very high	120 Å²	120	38.6 Å²	38.6	45%	0.453	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-74.8	-13.5	178.8	-58	170.5	-65.3	178.5	4.7	113.8	D790 F795 L937	D790-R792 PolarHBondContact O-N 3.33Å; D790-R792 VanDerWaalsContact OD1-CB 3.3Å; D790-R792 WeakPolarHBondContact OD1-CB 3.35Å; D790-R792 WeakPolarHBondContact OD1-CG 3.49Å; D790-R792 IonicContact OD1-CZ 3.39Å; D790-R792 PolarHBondContact OD1-N 3.12Å; D790-R792 IonicContact OD1-NE 3.15Å; D790-R792 PolarHBondContact OD1-NE 2.97Å; D790-R792 IonicContact OD1-NH2 3.49Å; D790-R792 IonicContact OD2-CZ 2.74Å; D790-R792 IonicContact OD2-NE 2.69Å; D790-R792 PolarHBondContact OD2-NE 2.89Å; D790-R792 IonicContact OD2-NH2 3.94Å; D790-R792 PolarHBondContact OD2-NH2 3.1Å; R792-F795 WeakPolarHBondContact O-CE2 3.49Å; R792-F795 WeakPolarHBondContact O-CZ 3.36Å; R792-L937 HydrophobicContact CB-CB 4.08Å; R792-L937 HydrophobicContact CG-CB 4.44Å; R792-L937 WeakPolarHBondContact CG-O 3.35Å; R792-L937 PolarHBondContact O-N 3.18Å
793	R	94.5	Very high	93.7	Very high	55 Å²	55	39.5 Å²	39.5	21%	0.208	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-112.2	1.2	-172.8	-62.7	-172.9	-179.2	-91.4	-9.6	113.5	N762 I764 V765 D790 P791	N762-R793 WeakPolarHBondContact O-CD 3.36Å; N762-R793 PolarHBondContact O-NH1 3.47Å; I764-R793 CarbonylContact C-O 3.47Å; I764-R793 WeakPolarHBondContact CA-O 3.43Å; I764-R793 HydrophobicContact CG1-CB 4.41Å; I764-R793 HydrophobicContact CG1-CG 4.31Å; V765-R793 PolarHBondContact N-O 3.19Å; D790-R793 HydrophobicContact CB-CB 4.37Å; D790-R793 HydrophobicContact CB-CG 4.18Å; D790-R793 PolarHBondContact O-N 2.88Å; D790-R793 IonicContact OD2-NE 2.59Å; P791-R793 PolarHBondContact O-N 2.88Å
794	L	96.2	Very high	93.7	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.6	179	-179.8	65.3	0	0	0	111	V765 I767 V776 A779 A780 Y789	V765-L794 HydrophobicContact CB-CD1 4.04Å; V765-L794 HydrophobicContact CG1-CD1 4.09Å; I767-L794 HydrophobicContact CG1-CD1 4.07Å; V776-L794 HydrophobicContact CG1-CD2 4.16Å; V776-L794 HydrophobicContact CG1-CG 4.28Å; A779-L794 HydrophobicContact CB-CD1 3.97Å; A779-L794 HydrophobicContact CB-CD2 4.19Å; A780-L794 HydrophobicContact CB-CD2 3.69Å; Y789-L794 HydrophobicContact CE2-CD2 3.96Å
795	F	95.9	Very high	93.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.8	-178.6	-61.5	-89.9	0	0	0	111.4	I764 V765 C766 I767 R792 F886 A913 V915 L932 L937	I764-F795 HydrophobicContact CG2-CD2 3.6Å; I764-F795 HydrophobicContact CG2-CE2 3.57Å; V765-F795 PolarHBondContact O-N 3.13Å; C766-F795 CarbonylContact C-O 3.26Å; C766-F795 WeakPolarHBondContact CA-O 3.46Å; I767-F795 PolarHBondContact N-O 3.2Å; R792-F795 WeakPolarHBondContact O-CE2 3.49Å; R792-F795 WeakPolarHBondContact O-CZ 3.36Å; F795-F886 HydrophobicContact CB-CE1 4.07Å; F795-F886 HydrophobicContact CB-CZ 3.95Å; F795-F886 AromaticContact CD1-CZ 3.93Å; F795-F886 HydrophobicContact CD1-CZ 3.93Å; F795-F886 HydrophobicContact CG-CE1 4.26Å; F795-F886 AromaticContact CG-CZ 3.95Å; F795-F886 HydrophobicContact CG-CZ 3.95Å; F795-A913 HydrophobicContact CD1-CB 3.93Å; F795-V915 HydrophobicContact CD1-CG1 3.61Å; F795-V915 HydrophobicContact CE1-CG1 3.93Å; F795-L932 HydrophobicContact CE1-CD2 3.78Å; F795-L932 HydrophobicContact CZ-CD2 3.97Å; F795-L937 HydrophobicContact CE1-CB 4.11Å; F795-L937 HydrophobicContact CZ-CB 3.88Å
796	G	95.8	Very high	93.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.1	157.6	0	0	0	0	0	110.2	V776 T798 L914	V776-G796 VanDerWaalsContact CG2-CA 3.45Å; G796-T798 PolarHBondContact O-N 3.29Å; G796-T798 VanDerWaalsContact O-N 3.16Å; G796-L914 PolarHBondContact N-O 3.24Å; G796-L914 PolarHBondContact O-N 3.06Å
797	V	93.9	Very high	93.8	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	105.2	-176.2	-176.4	0	0	0	0	109.6	C766 I767 I768 F886	C766-V797 HydrophobicContact CB-CG2 3.7Å; I767-V797 PolarHBondContact O-N 3.37Å; I768-V797 HydrophobicContact CG1-CB 3.99Å; I768-V797 HydrophobicContact CG1-CG2 3.84Å; V797-F886 HydrophobicContact CG1-CB 3.76Å; V797-F886 HydrophobicContact CG1-CD1 4.44Å; V797-F886 HydrophobicContact CG1-CD2 4.39Å; V797-F886 HydrophobicContact CG1-CG 3.95Å; V797-F886 HydrophobicContact CG2-CD1 3.83Å; V797-F886 HydrophobicContact CG2-CE1 4.24Å; V797-F886 HydrophobicContact CG2-CG 4.17Å
798	T	94.4	Very high	93.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	12%	0.117	C	C	.	.			trans	-101.5	2.7	177	56.1	0	0	0	0	113.2	G796 L800 D801 L802 H828 C912 A913 L914 A927	G796-T798 PolarHBondContact O-N 3.29Å; G796-T798 VanDerWaalsContact O-N 3.16Å; T798-L800 PolarHBondContact O-N 3.02Å; T798-D801 PolarHBondContact O-N 3.14Å; T798-L802 WeakPolarHBondContact O-CD1 3.17Å; T798-H828 HydrophobicContact CG2-CB 3.89Å; T798-C912 PolarHBondContact OG1-O 3.49Å; T798-A913 WeakPolarHBondContact OG1-CA 3.45Å; T798-L914 HydrophobicContact CG2-CB 4.04Å; T798-A927 HydrophobicContact CG2-CB 4.01Å
799	T	92.4	Very high	93.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-50.6	-28.2	-176.9	-57.6	0	0	0	0	114.2	D801 L802 V803 A882 R885 F886 E911	T799-D801 PolarHBondContact O-N 2.84Å; T799-L802 PolarHBondContact O-N 3.21Å; T799-V803 HydrophobicContact CG2-CG2 4.29Å; T799-V803 WeakPolarHBondContact O-CG2 3.44Å; T799-V803 PolarHBondContact O-N 3.17Å; T799-A882 HydrophobicContact CG2-CB 4.43Å; T799-R885 HydrophobicContact CG2-CB 4.06Å; T799-R885 HydrophobicContact CG2-CG 4Å; T799-F886 VanDerWaalsContact OG1-CD2 3.32Å; T799-F886 WeakPolarHBondContact OG1-CD2 3.14Å; T799-E911 PolarHBondContact OG1-OE1 2.91Å
800	L	92.7	Very high	93.8	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-58.7	-36.4	176.6	179.5	60.6	0	0	0	112.4	T798 R804 M879 A882	T798-L800 PolarHBondContact O-N 3.02Å; L800-R804 WeakPolarHBondContact O-CD 3.39Å; L800-R804 VanDerWaalsContact O-CG 3.29Å; L800-R804 WeakPolarHBondContact O-CG 3.23Å; L800-R804 PolarHBondContact O-N 3.17Å; L800-M879 HydrophobicContact CD2-CE 4.4Å; L800-M879 HydrophobicContact CD2-CG 3.65Å; L800-A882 HydrophobicContact CB-CB 3.7Å; L800-A882 HydrophobicContact CD1-CB 4.16Å
801	D	94.9	Very high	93.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-74.1	-34.6	-179.4	-57.8	-28.1	0	0	0	111.2	T798 T799 R804 A805 V824 H828 I833	T798-D801 PolarHBondContact O-N 3.14Å; T799-D801 PolarHBondContact O-N 2.84Å; D801-R804 PolarHBondContact O-N 2.94Å; D801-R804 IonicContact OD1-NH1 3.35Å; D801-A805 VanDerWaalsContact O-CB 3.3Å; D801-A805 WeakPolarHBondContact O-CB 3.44Å; D801-A805 PolarHBondContact O-N 2.92Å; D801-V824 HydrophobicContact CB-CB 4.23Å; D801-V824 HydrophobicContact CB-CG1 3.87Å; D801-V824 HydrophobicContact CB-CG2 4.28Å; D801-H828 VanDerWaalsContact CG-ND1 3.31Å; D801-H828 IonicContact OD1-CE1 2.68Å; D801-H828 PolarHBondContact OD1-CE1 3.26Å; D801-H828 VanDerWaalsContact OD1-CE1 3.32Å; D801-H828 IonicContact OD1-ND1 3.82Å; D801-H828 PolarHBondContact OD1-ND1 2.84Å; D801-H828 IonicContact OD2-CE1 2.74Å; D801-H828 PolarHBondContact OD2-CE1 3.41Å; D801-H828 IonicContact OD2-CG 2.79Å; D801-H828 IonicContact OD2-ND1 2.76Å; D801-H828 PolarHBondContact OD2-ND1 3Å; D801-I833 HydrophobicContact CB-CG2 3.9Å
802	L	91.8	Very high	93.6	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-45.6	172.7	-64.7	96.9	0	0	0	111.3	T798 T799 R804 A805 S806 V824 C912	T798-L802 WeakPolarHBondContact O-CD1 3.17Å; T799-L802 PolarHBondContact O-N 3.21Å; L802-R804 VanDerWaalsContact C-N 3.3Å; L802-R804 PolarHBondContact O-N 3.34Å; L802-A805 PolarHBondContact O-N 3.49Å; L802-S806 WeakPolarHBondContact O-CB 3.15Å; L802-S806 PolarHBondContact O-N 2.76Å; L802-S806 PolarHBondContact O-OG 3.41Å; L802-V824 HydrophobicContact CG-CB 4.4Å; L802-V824 HydrophobicContact CG-CG2 4.29Å; L802-C912 HydrophobicContact CD1-CB 3.81Å; L802-C912 HydrophobicContact CD2-CB 3.91Å; L802-C912 HydrophobicContact CG-CB 4.34Å
803	V	91.2	Very high	93.5	Very high	24 Å²	24	21.4 Å²	21.4	15%	0.145	11%	0.108	C	C	.	.	H	α-helix	trans	-56.5	-48.3	176	173.3	0	0	0	0	109.7	T799 T807 Y881 R885	T799-V803 HydrophobicContact CG2-CG2 4.29Å; T799-V803 WeakPolarHBondContact O-CG2 3.44Å; T799-V803 PolarHBondContact O-N 3.17Å; V803-T807 WeakPolarHBondContact O-CB 3.17Å; V803-T807 PolarHBondContact O-N 2.82Å; V803-T807 PolarHBondContact O-OG1 2.8Å; V803-Y881 HydrophobicContact CG1-CD1 4.34Å; V803-Y881 HydrophobicContact CG1-CE1 4.2Å; V803-Y881 HydrophobicContact CG2-CD1 4.29Å; V803-Y881 HydrophobicContact CG2-CE1 4.03Å; V803-R885 VanDerWaalsContact CG2-NH1 3.26Å
804	R	93.4	Very high	93.3	Very high	25 Å²	25	24.2 Å²	24.2	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-47.2	178.9	-74.9	166.3	169.3	167.5	0.1	112.7	L800 D801 L802 T807 F808 A861	L800-R804 WeakPolarHBondContact O-CD 3.39Å; L800-R804 VanDerWaalsContact O-CG 3.29Å; L800-R804 WeakPolarHBondContact O-CG 3.23Å; L800-R804 PolarHBondContact O-N 3.17Å; D801-R804 PolarHBondContact O-N 2.94Å; D801-R804 IonicContact OD1-NH1 3.35Å; L802-R804 VanDerWaalsContact C-N 3.3Å; L802-R804 PolarHBondContact O-N 3.34Å; R804-T807 PolarHBondContact O-N 3.23Å; R804-F808 HydrophobicContact CB-CD2 4.39Å; R804-F808 HydrophobicContact CB-CE2 3.95Å; R804-F808 HydrophobicContact CB-CZ 4.24Å; R804-F808 HydrophobicContact CG-CE2 4.39Å; R804-F808 HydrophobicContact CG-CZ 4.27Å; R804-F808 WeakPolarHBondContact O-CB 3.23Å; R804-F808 VanDerWaalsContact O-CD2 3.29Å; R804-F808 WeakPolarHBondContact O-CD2 3.39Å; R804-F808 WeakPolarHBondContact O-CG 3.41Å; R804-F808 PolarHBondContact O-N 3.46Å; R804-A861 HydrophobicContact CG-CB 4.3Å
805	A	93.9	Very high	93	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-51.1	179.2	0	0	0	0	0	110.6	D801 L802 T807 F808 I809 C822 V824 V858	D801-A805 VanDerWaalsContact O-CB 3.3Å; D801-A805 WeakPolarHBondContact O-CB 3.44Å; D801-A805 PolarHBondContact O-N 2.92Å; L802-A805 PolarHBondContact O-N 3.49Å; A805-T807 PolarHBondContact O-N 3.44Å; A805-F808 PolarHBondContact O-N 3.49Å; A805-I809 WeakPolarHBondContact O-CB 3.46Å; A805-I809 VanDerWaalsContact O-CD1 3.32Å; A805-I809 WeakPolarHBondContact O-CD1 3.46Å; A805-I809 WeakPolarHBondContact O-CG1 3.31Å; A805-I809 PolarHBondContact O-N 3.22Å; A805-C822 HydrophobicContact CB-CB 4.08Å; A805-V824 HydrophobicContact CB-CG2 3.91Å; A805-V858 HydrophobicContact CB-CG2 4.22Å
806	S	92.4	Very high	92.6	Very high	8 Å²	8	30.5 Å²	30.5	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-46.7	177.5	-76.1	0	0	0	0	112.6	L802 I809 A810 V820 C822	L802-S806 WeakPolarHBondContact O-CB 3.15Å; L802-S806 PolarHBondContact O-N 2.76Å; L802-S806 PolarHBondContact O-OG 3.41Å; S806-I809 PolarHBondContact O-N 3.04Å; S806-A810 VanDerWaalsContact O-CB 3.23Å; S806-A810 WeakPolarHBondContact O-CB 3.19Å; S806-A810 PolarHBondContact O-N 3.39Å; S806-V820 WeakPolarHBondContact CB-O 3.23Å; S806-V820 PolarHBondContact OG-O 3.28Å; S806-C822 PolarHBondContact OG-N 3.32Å
807	T	93.1	Very high	92.2	Very high	49 Å²	49	33.6 Å²	33.6	30%	0.301	19%	0.188	S	C	.	.	H	α-helix	trans	-61.7	-48.3	178.2	-61.4	0	0	0	0	111.5	V803 R804 A805 I809 A810 D811	V803-T807 WeakPolarHBondContact O-CB 3.17Å; V803-T807 PolarHBondContact O-N 2.82Å; V803-T807 PolarHBondContact O-OG1 2.8Å; R804-T807 PolarHBondContact O-N 3.23Å; A805-T807 PolarHBondContact O-N 3.44Å; T807-I809 VanDerWaalsContact C-N 3.35Å; T807-I809 PolarHBondContact O-N 2.71Å; T807-A810 PolarHBondContact O-N 2.83Å; T807-D811 VanDerWaalsContact O-CG 3.26Å; T807-D811 PolarHBondContact O-N 3.42Å
808	F	95.2	Very high	91.7	Very high	21 Å²	21	37 Å²	37	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-32.4	-177	-59	-19.8	0	0	0	112.8	R804 A805 L812 L854 R857 V858 A861	R804-F808 HydrophobicContact CB-CD2 4.39Å; R804-F808 HydrophobicContact CB-CE2 3.95Å; R804-F808 HydrophobicContact CB-CZ 4.24Å; R804-F808 HydrophobicContact CG-CE2 4.39Å; R804-F808 HydrophobicContact CG-CZ 4.27Å; R804-F808 WeakPolarHBondContact O-CB 3.23Å; R804-F808 VanDerWaalsContact O-CD2 3.29Å; R804-F808 WeakPolarHBondContact O-CD2 3.39Å; R804-F808 WeakPolarHBondContact O-CG 3.41Å; R804-F808 PolarHBondContact O-N 3.46Å; A805-F808 PolarHBondContact O-N 3.49Å; F808-L812 WeakPolarHBondContact O-CB 3.21Å; F808-L812 PolarHBondContact O-N 2.88Å; F808-L854 HydrophobicContact CB-CD1 3.55Å; F808-R857 HydrophobicContact CD2-CB 4.41Å; F808-R857 HydrophobicContact CD2-CG 3.91Å; F808-R857 HydrophobicContact CE2-CG 3.77Å; F808-R857 HydrophobicContact CZ-CG 4.35Å; F808-V858 HydrophobicContact CD2-CG2 3.79Å; F808-V858 HydrophobicContact CE2-CG2 4.38Å; F808-A861 HydrophobicContact CE2-CB 3.94Å; F808-A861 HydrophobicContact CZ-CB 3.97Å
809	I	93.5	Very high	91.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-46.4	172	-70.3	163.3	0	0	0	110.3	A805 S806 T807 D811 L812 K813 V820 C822 F837 L844 F846 L854	A805-I809 WeakPolarHBondContact O-CB 3.46Å; A805-I809 VanDerWaalsContact O-CD1 3.32Å; A805-I809 WeakPolarHBondContact O-CD1 3.46Å; A805-I809 WeakPolarHBondContact O-CG1 3.31Å; A805-I809 PolarHBondContact O-N 3.22Å; S806-I809 PolarHBondContact O-N 3.04Å; T807-I809 VanDerWaalsContact C-N 3.35Å; T807-I809 PolarHBondContact O-N 2.71Å; I809-D811 VanDerWaalsContact C-N 3.35Å; I809-D811 PolarHBondContact O-N 2.94Å; I809-L812 PolarHBondContact O-N 3.07Å; I809-K813 WeakPolarHBondContact O-CB 3Å; I809-K813 PolarHBondContact O-N 3.12Å; I809-V820 HydrophobicContact CB-CG1 3.94Å; I809-V820 HydrophobicContact CG2-CG1 3.68Å; I809-C822 HydrophobicContact CD1-CB 3.41Å; I809-C822 VanDerWaalsContact CD1-CB 3.41Å; I809-F837 HydrophobicContact CD1-CD1 3.83Å; I809-F837 HydrophobicContact CD1-CE1 4.02Å; I809-F837 HydrophobicContact CG1-CD1 4.43Å; I809-F837 HydrophobicContact CG1-CE1 4.36Å; I809-L844 HydrophobicContact CG2-CD1 3.46Å; I809-L844 VanDerWaalsContact CG2-CD1 3.46Å; I809-F846 HydrophobicContact CD1-CZ 4.49Å; I809-F846 HydrophobicContact CG1-CE1 4.37Å; I809-F846 HydrophobicContact CG1-CZ 4.19Å; I809-F846 HydrophobicContact CG2-CE1 4.42Å; I809-F846 HydrophobicContact CG2-CZ 4Å; I809-L854 HydrophobicContact CG1-CD2 3.66Å
810	A	92.7	Very high	91	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-46.6	179	0	0	0	0	0	111.2	S806 T807 S814 L815 V817 V820	S806-A810 VanDerWaalsContact O-CB 3.23Å; S806-A810 WeakPolarHBondContact O-CB 3.19Å; S806-A810 PolarHBondContact O-N 3.39Å; T807-A810 PolarHBondContact O-N 2.83Å; A810-S814 CarbonylContact O-C 3.23Å; A810-S814 VanDerWaalsContact O-CA 3.29Å; A810-S814 WeakPolarHBondContact O-CA 3.2Å; A810-S814 PolarHBondContact O-N 3.34Å; A810-L815 PolarHBondContact O-N 2.73Å; A810-V817 HydrophobicContact CB-CB 3.77Å; A810-V817 HydrophobicContact CB-CG2 4.06Å; A810-V820 HydrophobicContact CB-CB 4.45Å; A810-V820 HydrophobicContact CB-CG2 3.99Å
811	D	92.8	Very high	90.8	Very high	100 Å²	100	40.4 Å²	40.4	54%	0.535	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-45.6	175.2	-68	-13	0	0	0	111.8	T807 I809	T807-D811 VanDerWaalsContact O-CG 3.26Å; T807-D811 PolarHBondContact O-N 3.42Å; I809-D811 VanDerWaalsContact C-N 3.35Å; I809-D811 PolarHBondContact O-N 2.94Å
812	L	91.3	Very high	90.7	Very high	79 Å²	79	40.3 Å²	40.3	41%	0.414	23%	0.226	S	C	.	.	H	α-helix	trans	-67	-37.9	-176.9	-179.9	66	0	0	0	112.6	F808 I809 F846 L854	F808-L812 WeakPolarHBondContact O-CB 3.21Å; F808-L812 PolarHBondContact O-N 2.88Å; I809-L812 PolarHBondContact O-N 3.07Å; L812-F846 HydrophobicContact CD2-CD1 4.48Å; L812-F846 HydrophobicContact CD2-CE1 4.43Å; L812-L854 HydrophobicContact CD2-CD2 4.18Å
813	K	91.5	Very high	90.7	Very high	60 Å²	60	41 Å²	41	26%	0.261	23%	0.231	S	C	.	.	H	α-helix	trans	-101.3	5.9	-176.1	-60	-66.4	178.4	-179.7	0	112.6	I809 L815 L844 V845 F846 E850	I809-K813 WeakPolarHBondContact O-CB 3Å; I809-K813 PolarHBondContact O-N 3.12Å; K813-L815 VanDerWaalsContact C-N 3.31Å; K813-L815 HydrophobicContact CB-CD1 3.93Å; K813-L815 HydrophobicContact CB-CG 3.98Å; K813-L815 PolarHBondContact O-N 2.88Å; K813-L844 HydrophobicContact CG-CD1 4.38Å; K813-V845 PolarHBondContact NZ-O 3.25Å; K813-F846 HydrophobicContact CG-CE1 4.38Å; K813-E850 IonicContact NZ-OE1 2.81Å; K813-E850 IonicContact NZ-OE2 3.68Å; K813-E850 PolarHBondContact NZ-OE2 3.38Å
814	S	90.9	Very high	91	Very high	113 Å²	113	40.1 Å²	40.1	79%	0.79	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	45.8	-177.7	-56.4	0	0	0	0	113.2	A810	A810-S814 CarbonylContact O-C 3.23Å; A810-S814 VanDerWaalsContact O-CA 3.29Å; A810-S814 WeakPolarHBondContact O-CA 3.2Å; A810-S814 PolarHBondContact O-N 3.34Å
815	L	90	Very high	91.1	Very high	66 Å²	66	38.9 Å²	38.9	35%	0.346	22%	0.221	S	C	.	.			trans	-104.7	158.3	179	-60.6	172.7	0	0	0	110.8	A810 K813 V817 V820 P842 L844	A810-L815 PolarHBondContact O-N 2.73Å; K813-L815 VanDerWaalsContact C-N 3.31Å; K813-L815 HydrophobicContact CB-CD1 3.93Å; K813-L815 HydrophobicContact CB-CG 3.98Å; K813-L815 PolarHBondContact O-N 2.88Å; L815-V817 PolarHBondContact O-N 3.28Å; L815-V820 HydrophobicContact CB-CG2 3.88Å; L815-V820 HydrophobicContact CD1-CG2 3.98Å; L815-P842 HydrophobicContact CD1-CG 4.29Å; L815-L844 HydrophobicContact CD1-CD1 3.78Å; L815-L844 HydrophobicContact CD1-CD2 3.81Å; L815-L844 HydrophobicContact CD1-CG 4.39Å
816	D	87.7	Confident	91.2	Very high	71 Å²	71	38.9 Å²	38.9	38%	0.38	22%	0.221	S	C	.	.			trans	-66.4	119.4	165.6	-177.3	-11.3	0	0	0	109.7	R818 A819	D816-R818 PolarHBondContact O-N 2.99Å; D816-R818 VanDerWaalsContact O-N 3.08Å; D816-R818 VanDerWaalsContact OD1-CB 3.3Å; D816-R818 WeakPolarHBondContact OD1-CB 3.37Å; D816-R818 WeakPolarHBondContact OD1-CG 3.31Å; D816-R818 IonicContact OD1-CZ 2.78Å; D816-R818 PolarHBondContact OD1-N 3.31Å; D816-R818 IonicContact OD1-NE 2.88Å; D816-R818 PolarHBondContact OD1-NE 3.21Å; D816-R818 VanDerWaalsContact OD1-NE 3.09Å; D816-R818 IonicContact OD1-NH2 3.67Å; D816-R818 IonicContact OD2-CZ 3.6Å; D816-R818 IonicContact OD2-NE 3.92Å; D816-R818 PolarHBondContact OD2-NE 3.33Å; D816-R818 IonicContact OD2-NH2 3.18Å; D816-R818 PolarHBondContact OD2-NH2 3.5Å; D816-A819 WeakPolarHBondContact O-CB 3.27Å; D816-A819 PolarHBondContact O-N 3.33Å
817	V	86.6	Confident	91.3	Very high	65 Å²	65	38.6 Å²	38.6	39%	0.394	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-55.5	-27.4	178.8	70.1	0	0	0	0	113.1	A810 L815 A819 V820	A810-V817 HydrophobicContact CB-CB 3.77Å; A810-V817 HydrophobicContact CB-CG2 4.06Å; L815-V817 PolarHBondContact O-N 3.28Å; V817-A819 PolarHBondContact O-N 3.14Å; V817-V820 PolarHBondContact O-N 2.75Å
818	R	83.3	Confident	91.4	Very high	79 Å²	79	37.2 Å²	37.2	30%	0.298	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-67.8	-21.2	176.9	-61.5	173.8	-66.1	-170.3	5	112.6	D816 S893	D816-R818 PolarHBondContact O-N 2.99Å; D816-R818 VanDerWaalsContact O-N 3.08Å; D816-R818 VanDerWaalsContact OD1-CB 3.3Å; D816-R818 WeakPolarHBondContact OD1-CB 3.37Å; D816-R818 WeakPolarHBondContact OD1-CG 3.31Å; D816-R818 IonicContact OD1-CZ 2.78Å; D816-R818 PolarHBondContact OD1-N 3.31Å; D816-R818 IonicContact OD1-NE 2.88Å; D816-R818 PolarHBondContact OD1-NE 3.21Å; D816-R818 VanDerWaalsContact OD1-NE 3.09Å; D816-R818 IonicContact OD1-NH2 3.67Å; D816-R818 IonicContact OD2-CZ 3.6Å; D816-R818 IonicContact OD2-NE 3.92Å; D816-R818 PolarHBondContact OD2-NE 3.33Å; D816-R818 IonicContact OD2-NH2 3.18Å; D816-R818 PolarHBondContact OD2-NH2 3.5Å; R818-S893 PolarHBondContact O-OG 3.45Å
819	A	84.7	Confident	91.1	Very high	42 Å²	42	38.3 Å²	38.3	35%	0.347	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-95.1	-5.6	176.6	0	0	0	0	0	113	D816 V817 K841 P842	D816-A819 WeakPolarHBondContact O-CB 3.27Å; D816-A819 PolarHBondContact O-N 3.33Å; V817-A819 PolarHBondContact O-N 3.14Å; A819-K841 VanDerWaalsContact O-O 3.12Å; A819-P842 VanDerWaalsContact O-CD 3.26Å; A819-P842 WeakPolarHBondContact O-CD 3.29Å
820	V	87.9	Confident	90.9	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	23%	0.232	C	C	.	.			trans	-102.4	122.2	-175.3	-177.5	0	0	0	0	111.4	S806 I809 A810 L815 V817 K841	S806-V820 WeakPolarHBondContact CB-O 3.23Å; S806-V820 PolarHBondContact OG-O 3.28Å; I809-V820 HydrophobicContact CB-CG1 3.94Å; I809-V820 HydrophobicContact CG2-CG1 3.68Å; A810-V820 HydrophobicContact CB-CB 4.45Å; A810-V820 HydrophobicContact CB-CG2 3.99Å; L815-V820 HydrophobicContact CB-CG2 3.88Å; L815-V820 HydrophobicContact CD1-CG2 3.98Å; V817-V820 PolarHBondContact O-N 2.75Å; V820-K841 CarbonylContact C-O 3.54Å; V820-K841 VanDerWaalsContact CA-O 3.26Å; V820-K841 WeakPolarHBondContact CA-O 3.42Å
821	S	88.5	Confident	90.9	Very high	31 Å²	31	42 Å²	42	22%	0.217	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-132.3	113.9	173.1	-173.8	0	0	0	0	110.5	C840 K841	S821-C840 CarbonylContact O-C 3.48Å; S821-C840 WeakPolarHBondContact O-CA 3.13Å; S821-K841 PolarHBondContact N-O 2.78Å; S821-K841 PolarHBondContact O-N 3.44Å
822	C	92	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.			trans	-116.7	119.3	175.7	-179.8	0	0	0	0	110	A805 S806 I809 C840	A805-C822 HydrophobicContact CB-CB 4.08Å; S806-C822 PolarHBondContact OG-N 3.32Å; I809-C822 HydrophobicContact CD1-CB 3.41Å; I809-C822 VanDerWaalsContact CD1-CB 3.41Å; C822-C840 HydrophobicContact CB-CB 4.38Å
823	P	93.2	Very high	91.3	Very high	21 Å²	21	33.7 Å²	33.7	14%	0.136	20%	0.203	C	C	.	.			trans	-70.2	144.3	175	25.1	-27.2	0	0	0	110.7	V836 N839	P823-V836 HydrophobicContact CG-CB 4.25Å; P823-V836 PolarHBondContact O-N 2.76Å; P823-N839 HydrophobicContact CG-CB 3.91Å
824	V	95.9	Very high	91.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.2	177.2	-175.7	0	0	0	0	108.5	D801 L802 A805 I833 V834 P835 C912	D801-V824 HydrophobicContact CB-CB 4.23Å; D801-V824 HydrophobicContact CB-CG1 3.87Å; D801-V824 HydrophobicContact CB-CG2 4.28Å; L802-V824 HydrophobicContact CG-CB 4.4Å; L802-V824 HydrophobicContact CG-CG2 4.29Å; A805-V824 HydrophobicContact CB-CG2 3.91Å; V824-I833 HydrophobicContact CG1-CG2 3.48Å; V824-I833 VanDerWaalsContact CG1-CG2 3.48Å; V824-V834 WeakPolarHBondContact CA-O 3.48Å; V824-P835 HydrophobicContact CG2-CB 4.36Å; V824-C912 WeakPolarHBondContact O-CB 3.44Å
825	V	96.5	Very high	91.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	175	-175.3	-56.9	0	0	0	0	112	V834 V836 A927 L943 P944	V825-V834 HydrophobicContact CG2-CB 3.97Å; V825-V834 HydrophobicContact CG2-CG1 4.16Å; V825-V834 PolarHBondContact N-O 2.77Å; V825-V834 WeakPolarHBondContact O-CB 3.36Å; V825-V834 PolarHBondContact O-N 3.37Å; V825-V836 HydrophobicContact CG1-CG2 4.22Å; V825-V836 HydrophobicContact CG2-CG2 3.74Å; V825-A927 CarbonylContact C-O 3.56Å; V825-A927 WeakPolarHBondContact CA-O 3.36Å; V825-A927 VanDerWaalsContact CB-O 3.29Å; V825-A927 WeakPolarHBondContact CB-O 3.26Å; V825-L943 HydrophobicContact CB-CD2 4Å; V825-L943 HydrophobicContact CG1-CD2 4.21Å; V825-L943 HydrophobicContact CG2-CD2 3.79Å; V825-P944 HydrophobicContact CG1-CG 4.44Å
826	G	95.9	Very high	92.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.2	-99.5	178.1	0	0	0	0	0	112	T832 A927 L961	G826-T832 CarbonylContact C-O 3.58Å; G826-T832 WeakPolarHBondContact CA-O 3.28Å; G826-A927 PolarHBondContact N-O 3.43Å; G826-A927 PolarHBondContact O-N 3.23Å; G826-L961 WeakPolarHBondContact O-CD2 3.41Å
827	G	95.1	Very high	92.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	12%	0.119	C	C	.	.			trans	-153	-172.2	177.3	0	0	0	0	0	111.8	N773 T832 I833	N773-G827 WeakPolarHBondContact OD1-CA 3.46Å; G827-T832 WeakPolarHBondContact CA-OG1 3.43Å; G827-T832 PolarHBondContact N-O 3.49Å; G827-T832 CarbonylContact O-C 3.54Å; G827-T832 PolarHBondContact O-OG1 3.3Å; G827-I833 WeakPolarHBondContact O-CA 3.31Å; G827-I833 VanDerWaalsContact O-CG1 3.28Å; G827-I833 WeakPolarHBondContact O-CG1 3.44Å
828	H	94.2	Very high	92.6	Very high	20 Å²	20	18.4 Å²	18.4	9%	0.093	12%	0.117	C	C	.	.	S	Bend	trans	-109.7	31.7	-169.9	-165.9	48.7	0	0	0	114.3	V772 N773 T798 D801 T832	V772-H828 HydrophobicContact CB-CB 4.1Å; N773-H828 PolarHBondContact ND2-N 3.17Å; N773-H828 PolarHBondContact OD1-N 3.14Å; T798-H828 HydrophobicContact CG2-CB 3.89Å; D801-H828 VanDerWaalsContact CG-ND1 3.31Å; D801-H828 IonicContact OD1-CE1 2.68Å; D801-H828 PolarHBondContact OD1-CE1 3.26Å; D801-H828 VanDerWaalsContact OD1-CE1 3.32Å; D801-H828 IonicContact OD1-ND1 3.82Å; D801-H828 PolarHBondContact OD1-ND1 2.84Å; D801-H828 IonicContact OD2-CE1 2.74Å; D801-H828 PolarHBondContact OD2-CE1 3.41Å; D801-H828 IonicContact OD2-CG 2.79Å; D801-H828 IonicContact OD2-ND1 2.76Å; D801-H828 PolarHBondContact OD2-ND1 3Å; H828-T832 PolarHBondContact N-OG1 3.5Å
829	S	89.3	Confident	93	Very high	44 Å²	44	17.3 Å²	17.3	31%	0.308	12%	0.117	S	C	.	.	S	Bend	trans	-149.8	117.5	-179.9	-157.9	0	0	0	0	113.8	V831 T832	S829-V831 PolarHBondContact O-N 2.79Å; S829-T832 PolarHBondContact N-OG1 3.15Å; S829-T832 WeakPolarHBondContact O-CB 3.32Å; S829-T832 WeakPolarHBondContact O-CG2 3.2Å; S829-T832 PolarHBondContact O-N 2.96Å; S829-T832 PolarHBondContact O-OG1 2.68Å
830	G	89.6	Confident	93.2	Very high	26 Å²	26	15.4 Å²	15.4	27%	0.268	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	54.6	-127	172.8	0	0	0	0	0	111.9	T832 I833 Q859	G830-T832 PolarHBondContact O-N 3.48Å; G830-T832 VanDerWaalsContact O-N 3.1Å; G830-I833 WeakPolarHBondContact O-CB 3.32Å; G830-I833 PolarHBondContact O-N 2.8Å; G830-I833 VanDerWaalsContact O-N 3.09Å; G830-Q859 WeakPolarHBondContact O-CG 3.37Å
831	V	92.8	Very high	93.2	Very high	53 Å²	53	21.1 Å²	21.1	32%	0.321	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-64.2	-14.6	-178.1	-56.8	0	0	0	0	113.7	S829 I833 A957 E960	S829-V831 PolarHBondContact O-N 2.79Å; V831-I833 PolarHBondContact O-N 2.87Å; V831-A957 WeakPolarHBondContact O-CB 3.5Å; V831-E960 HydrophobicContact CG2-CB 4.31Å; V831-E960 WeakPolarHBondContact CG2-OE2 3.48Å
832	T	95.5	Very high	93.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-72.3	-16.1	175.6	78.8	0	0	0	0	112.8	N773 G826 G827 H828 S829 G830 V834 E960 L961	N773-T832 PolarHBondContact ND2-OG1 3.22Å; N773-T832 VanDerWaalsContact ND2-OG1 3.11Å; G826-T832 CarbonylContact C-O 3.58Å; G826-T832 WeakPolarHBondContact CA-O 3.28Å; G827-T832 WeakPolarHBondContact CA-OG1 3.43Å; G827-T832 PolarHBondContact N-O 3.49Å; G827-T832 CarbonylContact O-C 3.54Å; G827-T832 PolarHBondContact O-OG1 3.3Å; H828-T832 PolarHBondContact N-OG1 3.5Å; S829-T832 PolarHBondContact N-OG1 3.15Å; S829-T832 WeakPolarHBondContact O-CB 3.32Å; S829-T832 WeakPolarHBondContact O-CG2 3.2Å; S829-T832 PolarHBondContact O-N 2.96Å; S829-T832 PolarHBondContact O-OG1 2.68Å; G830-T832 PolarHBondContact O-N 3.48Å; G830-T832 VanDerWaalsContact O-N 3.1Å; T832-V834 PolarHBondContact O-N 2.91Å; T832-E960 HydrophobicContact CG2-CB 4.06Å; T832-E960 HydrophobicContact CG2-CG 4Å; T832-L961 HydrophobicContact CG2-CB 4.15Å
833	I	97	Very high	93.1	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.6	180	-56.7	166.3	0	0	0	107.3	D801 V824 G827 G830 V831 P835 V858 Q859	D801-I833 HydrophobicContact CB-CG2 3.9Å; V824-I833 HydrophobicContact CG1-CG2 3.48Å; V824-I833 VanDerWaalsContact CG1-CG2 3.48Å; G827-I833 WeakPolarHBondContact O-CA 3.31Å; G827-I833 VanDerWaalsContact O-CG1 3.28Å; G827-I833 WeakPolarHBondContact O-CG1 3.44Å; G830-I833 WeakPolarHBondContact O-CB 3.32Å; G830-I833 PolarHBondContact O-N 2.8Å; G830-I833 VanDerWaalsContact O-N 3.09Å; V831-I833 PolarHBondContact O-N 2.87Å; I833-P835 WeakPolarHBondContact O-CD 3.41Å; I833-V858 HydrophobicContact CG2-CG1 4.08Å; I833-Q859 HydrophobicContact CB-CG 4.14Å; I833-Q859 PolarHBondContact O-NE2 3.02Å
834	V	97.2	Very high	92.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	93.2	-176	-176.1	0	0	0	0	109.6	V824 V825 T832 L953 A957	V824-V834 WeakPolarHBondContact CA-O 3.48Å; V825-V834 HydrophobicContact CG2-CB 3.97Å; V825-V834 HydrophobicContact CG2-CG1 4.16Å; V825-V834 PolarHBondContact N-O 2.77Å; V825-V834 WeakPolarHBondContact O-CB 3.36Å; V825-V834 PolarHBondContact O-N 3.37Å; T832-V834 PolarHBondContact O-N 2.91Å; V834-L953 HydrophobicContact CG1-CB 3.85Å; V834-L953 HydrophobicContact CG1-CD1 4.38Å; V834-L953 HydrophobicContact CG2-CB 4.35Å; V834-A957 HydrophobicContact CG2-CB 3.75Å
835	P	96.6	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.6	171.7	-16	31	0	0	0	110.2	V824 I833 F837 V858	V824-P835 HydrophobicContact CG2-CB 4.36Å; I833-P835 WeakPolarHBondContact O-CD 3.41Å; P835-F837 HydrophobicContact CB-CD1 4.09Å; P835-F837 HydrophobicContact CB-CE1 3.45Å; P835-F837 VanDerWaalsContact CB-CE1 3.45Å; P835-F837 HydrophobicContact CB-CE2 4.44Å; P835-F837 HydrophobicContact CB-CZ 3.66Å; P835-F837 HydrophobicContact CG-CE1 4.34Å; P835-F837 HydrophobicContact CG-CZ 4.17Å; P835-V858 HydrophobicContact CG-CB 4.01Å; P835-V858 HydrophobicContact CG-CG1 3.86Å; P835-V858 HydrophobicContact CG-CG2 4.3Å
836	V	95.1	Very high	92.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.215	C	C	.	.			trans	-107.5	80.8	-178.5	-169.6	0	0	0	0	108.8	P823 V825 S838 N839 P944 L946 E950	P823-V836 HydrophobicContact CG-CB 4.25Å; P823-V836 PolarHBondContact O-N 2.76Å; V825-V836 HydrophobicContact CG1-CG2 4.22Å; V825-V836 HydrophobicContact CG2-CG2 3.74Å; V836-S838 VanDerWaalsContact C-N 3.27Å; V836-S838 PolarHBondContact O-N 3.25Å; V836-N839 HydrophobicContact CG1-CB 4.13Å; V836-N839 WeakPolarHBondContact CG1-ND2 3.48Å; V836-N839 PolarHBondContact O-N 3.42Å; V836-P944 HydrophobicContact CB-CG 4.46Å; V836-P944 HydrophobicContact CG1-CG 4.11Å; V836-P944 HydrophobicContact CG2-CG 4.23Å; V836-L946 HydrophobicContact CB-CD2 4.37Å; V836-L946 HydrophobicContact CG1-CD2 3.57Å; V836-L946 HydrophobicContact CG2-CD2 3.81Å; V836-E950 VanDerWaalsContact C-OE1 3.31Å; V836-E950 WeakPolarHBondContact CA-OE1 3.39Å
837	F	93.5	Very high	91.8	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.026	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.9	-31	-176.3	-57.8	-43.5	0	0	0	113.1	I809 P835 N839 C840 F846 A851 L854 T855 E950	I809-F837 HydrophobicContact CD1-CD1 3.83Å; I809-F837 HydrophobicContact CD1-CE1 4.02Å; I809-F837 HydrophobicContact CG1-CD1 4.43Å; I809-F837 HydrophobicContact CG1-CE1 4.36Å; P835-F837 HydrophobicContact CB-CD1 4.09Å; P835-F837 HydrophobicContact CB-CE1 3.45Å; P835-F837 VanDerWaalsContact CB-CE1 3.45Å; P835-F837 HydrophobicContact CB-CE2 4.44Å; P835-F837 HydrophobicContact CB-CZ 3.66Å; P835-F837 HydrophobicContact CG-CE1 4.34Å; P835-F837 HydrophobicContact CG-CZ 4.17Å; F837-N839 PolarHBondContact O-N 2.88Å; F837-C840 WeakPolarHBondContact O-CB 3.38Å; F837-C840 PolarHBondContact O-N 2.96Å; F837-F846 HydrophobicContact CB-CD2 3.85Å; F837-F846 HydrophobicContact CB-CE2 3.75Å; F837-F846 HydrophobicContact CB-CZ 4.43Å; F837-F846 HydrophobicContact CG-CD2 4.5Å; F837-F846 HydrophobicContact CG-CE2 4.38Å; F837-A851 HydrophobicContact CD2-CB 4.15Å; F837-A851 HydrophobicContact CE2-CB 4.33Å; F837-A851 WeakPolarHBondContact CE2-O 3.36Å; F837-L854 HydrophobicContact CD1-CD2 4.21Å; F837-L854 HydrophobicContact CE1-CD2 3.58Å; F837-L854 HydrophobicContact CE1-CG 3.97Å; F837-L854 HydrophobicContact CE2-CB 4.29Å; F837-L854 HydrophobicContact CE2-CD2 4.13Å; F837-L854 HydrophobicContact CE2-CG 4.34Å; F837-L854 HydrophobicContact CZ-CB 3.95Å; F837-L854 HydrophobicContact CZ-CD2 3.54Å; F837-L854 HydrophobicContact CZ-CG 3.59Å; F837-T855 VanDerWaalsContact CE2-OG1 3.29Å; F837-T855 WeakPolarHBondContact CE2-OG1 3.42Å; F837-E950 PolarHBondContact N-OE1 2.89Å
838	S	91.3	Very high	91.5	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.7	175.8	63.3	0	0	0	0	113.2	V836 Q945 E950	V836-S838 VanDerWaalsContact C-N 3.27Å; V836-S838 PolarHBondContact O-N 3.25Å; S838-Q945 PolarHBondContact OG-O 3.15Å; S838-E950 WeakPolarHBondContact CB-OE1 3.47Å; S838-E950 WeakPolarHBondContact CB-OE2 3.42Å; S838-E950 PolarHBondContact N-OE1 2.82Å; S838-E950 VanDerWaalsContact OG-CD 3.23Å; S838-E950 PolarHBondContact OG-OE1 3.33Å; S838-E950 VanDerWaalsContact OG-OE1 3.06Å; S838-E950 PolarHBondContact OG-OE2 3.4Å
839	N	91	Very high	91.3	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-106.7	16.7	177.9	-65.2	-61	0	0	0	112.9	P823 V836 F837 P944 Q945	P823-N839 HydrophobicContact CG-CB 3.91Å; V836-N839 HydrophobicContact CG1-CB 4.13Å; V836-N839 WeakPolarHBondContact CG1-ND2 3.48Å; V836-N839 PolarHBondContact O-N 3.42Å; F837-N839 PolarHBondContact O-N 2.88Å; N839-P944 WeakPolarHBondContact ND2-CB 3.04Å; N839-Q945 PolarHBondContact ND2-O 3.27Å
840	C	90.2	Very high	91.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	29%	0.293	C	S	.	.			trans	-63.9	144.4	171.9	-170.5	0	0	0	0	110.4	S821 C822 F837 P842 S843	S821-C840 CarbonylContact O-C 3.48Å; S821-C840 WeakPolarHBondContact O-CA 3.13Å; C822-C840 HydrophobicContact CB-CB 4.38Å; F837-C840 WeakPolarHBondContact O-CB 3.38Å; F837-C840 PolarHBondContact O-N 2.96Å; C840-P842 CarbonylContact C-O 3.49Å; C840-P842 CarbonylContact O-C 3.59Å; C840-P842 VanDerWaalsContact O-C 3.26Å; C840-S843 WeakPolarHBondContact O-CA 3.37Å; C840-S843 PolarHBondContact O-N 3.49Å
841	K	86.6	Confident	91.5	Very high	126 Å²	126	51 Å²	51	55%	0.548	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-114	129.8	169.7	-67.1	-175.8	-178.8	178.5	0	109	A819 V820 S821 F895	A819-K841 VanDerWaalsContact O-O 3.12Å; V820-K841 CarbonylContact C-O 3.54Å; V820-K841 VanDerWaalsContact CA-O 3.26Å; V820-K841 WeakPolarHBondContact CA-O 3.42Å; S821-K841 PolarHBondContact N-O 2.78Å; S821-K841 PolarHBondContact O-N 3.44Å; K841-F895 HydrophobicContact CB-CE1 4.25Å; K841-F895 HydrophobicContact CD-CE1 4.04Å
842	P	88.6	Confident	91.5	Very high	61 Å²	61	52.9 Å²	52.9	40%	0.396	29%	0.287	S	S	.	.	S	Bend	cis	-59.5	163.9	-10.6	30.4	-36.6	0	0	0	111.4	L815 A819 C840 L844	L815-P842 HydrophobicContact CD1-CG 4.29Å; A819-P842 VanDerWaalsContact O-CD 3.26Å; A819-P842 WeakPolarHBondContact O-CD 3.29Å; C840-P842 CarbonylContact C-O 3.49Å; C840-P842 CarbonylContact O-C 3.59Å; C840-P842 VanDerWaalsContact O-C 3.26Å; P842-L844 HydrophobicContact CG-CD2 4.37Å; P842-L844 HydrophobicContact CG-CG 4.45Å; P842-L844 WeakPolarHBondContact O-CG 3.35Å; P842-L844 PolarHBondContact O-N 2.89Å
843	S	89.1	Confident	91.3	Very high	112 Å²	112	59.5 Å²	59.5	78%	0.783	32%	0.316	S	S	*	.			trans	-63.4	124.4	174.8	-64.1	0	0	0	0	110	C840	C840-S843 WeakPolarHBondContact O-CA 3.37Å; C840-S843 PolarHBondContact O-N 3.49Å
844	L	88	Confident	91.2	Very high	39 Å²	39	59.8 Å²	59.8	20%	0.204	32%	0.318	C	S	.	.			trans	-126.6	144.5	-175	-66.4	167.6	0	0	0	110.3	I809 K813 L815 P842 F846	I809-L844 HydrophobicContact CG2-CD1 3.46Å; I809-L844 VanDerWaalsContact CG2-CD1 3.46Å; K813-L844 HydrophobicContact CG-CD1 4.38Å; L815-L844 HydrophobicContact CD1-CD1 3.78Å; L815-L844 HydrophobicContact CD1-CD2 3.81Å; L815-L844 HydrophobicContact CD1-CG 4.39Å; P842-L844 HydrophobicContact CG-CD2 4.37Å; P842-L844 HydrophobicContact CG-CG 4.45Å; P842-L844 WeakPolarHBondContact O-CG 3.35Å; P842-L844 PolarHBondContact O-N 2.89Å; L844-F846 HydrophobicContact CB-CD2 4.34Å; L844-F846 HydrophobicContact CB-CE2 3.53Å; L844-F846 HydrophobicContact CB-CZ 3.78Å; L844-F846 HydrophobicContact CD1-CZ 4.06Å
845	V	86.7	Confident	91.2	Very high	121 Å²	121	59.9 Å²	59.9	73%	0.733	32%	0.318	S	S	*	.			trans	-99.3	131.5	174.3	-174.3	0	0	0	0	108.6	K813	K813-V845 PolarHBondContact NZ-O 3.25Å
846	F	90.1	Very high	91	Very high	32 Å²	32	64.4 Å²	64.4	14%	0.14	34%	0.34	C	S	.	.			trans	-122.3	130.5	179.1	-61.1	-92.2	0	0	0	109	I809 L812 K813 F837 L844 A851 L854	I809-F846 HydrophobicContact CD1-CZ 4.49Å; I809-F846 HydrophobicContact CG1-CE1 4.37Å; I809-F846 HydrophobicContact CG1-CZ 4.19Å; I809-F846 HydrophobicContact CG2-CE1 4.42Å; I809-F846 HydrophobicContact CG2-CZ 4Å; L812-F846 HydrophobicContact CD2-CD1 4.48Å; L812-F846 HydrophobicContact CD2-CE1 4.43Å; K813-F846 HydrophobicContact CG-CE1 4.38Å; F837-F846 HydrophobicContact CB-CD2 3.85Å; F837-F846 HydrophobicContact CB-CE2 3.75Å; F837-F846 HydrophobicContact CB-CZ 4.43Å; F837-F846 HydrophobicContact CG-CD2 4.5Å; F837-F846 HydrophobicContact CG-CE2 4.38Å; L844-F846 HydrophobicContact CB-CD2 4.34Å; L844-F846 HydrophobicContact CB-CE2 3.53Å; L844-F846 HydrophobicContact CB-CZ 3.78Å; L844-F846 HydrophobicContact CD1-CZ 4.06Å; F846-A851 HydrophobicContact CB-CB 4.16Å; F846-L854 HydrophobicContact CD1-CD2 4.3Å; F846-L854 HydrophobicContact CE1-CD2 3.89Å
847	E	89.8	Confident	91	Very high	122 Å²	122	69.1 Å²	69.1	57%	0.57	36%	0.357	S	S	*	.			trans	-65.7	149.7	170	-67.4	-58.4	135.8	0	0	109.9	E849 E850 A851	E847-E849 VanDerWaalsContact C-N 3.28Å; E847-E849 PolarHBondContact O-N 3.14Å; E847-E849 VanDerWaalsContact O-N 3.15Å; E847-E850 HydrophobicContact CB-CB 4.35Å; E847-E850 HydrophobicContact CB-CG 4Å; E847-E850 PolarHBondContact N-OE2 2.98Å; E847-E850 WeakPolarHBondContact O-CA 3.14Å; E847-E850 WeakPolarHBondContact O-CB 3.39Å; E847-E850 PolarHBondContact O-N 3.2Å; E847-A851 PolarHBondContact O-N 3.48Å
848	P	88.9	Confident	91	Very high	97 Å²	97	68.9 Å²	68.9	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-53.8	-40.2	-175	-28.8	35.2	0	0	0	114.5	K852	P848-K852 WeakPolarHBondContact O-CB 3.47Å; P848-K852 PolarHBondContact O-N 3.19Å
849	E	89.8	Confident	91.2	Very high	112 Å²	112	67.9 Å²	67.9	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-73.3	-31.1	176.5	-81.2	-61.3	153	0	0	113.2	E847 K853	E847-E849 VanDerWaalsContact C-N 3.28Å; E847-E849 PolarHBondContact O-N 3.14Å; E847-E849 VanDerWaalsContact O-N 3.15Å; E849-K853 WeakPolarHBondContact O-CG 3.37Å; E849-K853 PolarHBondContact O-N 3.38Å; E849-K853 VanDerWaalsContact O-N 3.08Å
850	E	90.8	Very high	91.1	Very high	69 Å²	69	69 Å²	69	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-48.8	172.7	-68.3	-177.2	151.4	0	0	110.3	K813 E847 K852 K853 L854	K813-E850 IonicContact NZ-OE1 2.81Å; K813-E850 IonicContact NZ-OE2 3.68Å; K813-E850 PolarHBondContact NZ-OE2 3.38Å; E847-E850 HydrophobicContact CB-CB 4.35Å; E847-E850 HydrophobicContact CB-CG 4Å; E847-E850 PolarHBondContact N-OE2 2.98Å; E847-E850 WeakPolarHBondContact O-CA 3.14Å; E847-E850 WeakPolarHBondContact O-CB 3.39Å; E847-E850 PolarHBondContact O-N 3.2Å; E850-K852 VanDerWaalsContact C-N 3.32Å; E850-K852 PolarHBondContact O-N 3.43Å; E850-K853 PolarHBondContact O-N 3.06Å; E850-L854 WeakPolarHBondContact O-CB 3.38Å; E850-L854 PolarHBondContact O-N 2.87Å
851	A	92.2	Very high	91	Very high	9 Å²	9	69.1 Å²	69.1	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-57.5	-46.4	178.2	0	0	0	0	0	110.7	F837 F846 E847 L854 T855 F949	F837-A851 HydrophobicContact CD2-CB 4.15Å; F837-A851 HydrophobicContact CE2-CB 4.33Å; F837-A851 WeakPolarHBondContact CE2-O 3.36Å; F846-A851 HydrophobicContact CB-CB 4.16Å; E847-A851 PolarHBondContact O-N 3.48Å; A851-L854 PolarHBondContact O-N 3.33Å; A851-T855 WeakPolarHBondContact O-CB 3.43Å; A851-T855 PolarHBondContact O-N 3.49Å; A851-T855 PolarHBondContact O-OG1 3.3Å; A851-F949 HydrophobicContact CB-CD1 4.34Å; A851-F949 HydrophobicContact CB-CE1 3.91Å; A851-F949 HydrophobicContact CB-CZ 4.36Å
852	K	93.1	Very high	90.9	Very high	92 Å²	92	64.2 Å²	64.2	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-59.7	-51.8	177.9	-173.8	-177.9	175.4	-172.3	0	113	P848 E850 L854 T855 E856 F949	P848-K852 WeakPolarHBondContact O-CB 3.47Å; P848-K852 PolarHBondContact O-N 3.19Å; E850-K852 VanDerWaalsContact C-N 3.32Å; E850-K852 PolarHBondContact O-N 3.43Å; K852-L854 VanDerWaalsContact C-N 3.3Å; K852-L854 PolarHBondContact O-N 2.82Å; K852-T855 PolarHBondContact O-N 3.29Å; K852-E856 WeakPolarHBondContact O-CG 3.41Å; K852-E856 PolarHBondContact O-N 3.12Å; K852-F949 HydrophobicContact CB-CZ 4.45Å
853	K	92.7	Very high	90.5	Very high	140 Å²	140	64.5 Å²	64.5	61%	0.609	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-39.2	179.1	-73.4	177.2	-175.8	176.2	0	112.1	E849 E850 E856 R857	E849-K853 WeakPolarHBondContact O-CG 3.37Å; E849-K853 PolarHBondContact O-N 3.38Å; E849-K853 VanDerWaalsContact O-N 3.08Å; E850-K853 PolarHBondContact O-N 3.06Å; K853-E856 PolarHBondContact O-N 3.14Å; K853-R857 WeakPolarHBondContact O-CB 3.34Å; K853-R857 PolarHBondContact O-N 2.89Å
854	L	94.4	Very high	90.1	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-44.1	178.6	-173.7	63.1	0	0	0	111.2	F808 I809 L812 F837 F846 E850 A851 K852 E856 R857 V858	F808-L854 HydrophobicContact CB-CD1 3.55Å; I809-L854 HydrophobicContact CG1-CD2 3.66Å; L812-L854 HydrophobicContact CD2-CD2 4.18Å; F837-L854 HydrophobicContact CD1-CD2 4.21Å; F837-L854 HydrophobicContact CE1-CD2 3.58Å; F837-L854 HydrophobicContact CE1-CG 3.97Å; F837-L854 HydrophobicContact CE2-CB 4.29Å; F837-L854 HydrophobicContact CE2-CD2 4.13Å; F837-L854 HydrophobicContact CE2-CG 4.34Å; F837-L854 HydrophobicContact CZ-CB 3.95Å; F837-L854 HydrophobicContact CZ-CD2 3.54Å; F837-L854 HydrophobicContact CZ-CG 3.59Å; F846-L854 HydrophobicContact CD1-CD2 4.3Å; F846-L854 HydrophobicContact CE1-CD2 3.89Å; E850-L854 WeakPolarHBondContact O-CB 3.38Å; E850-L854 PolarHBondContact O-N 2.87Å; A851-L854 PolarHBondContact O-N 3.33Å; K852-L854 VanDerWaalsContact C-N 3.3Å; K852-L854 PolarHBondContact O-N 2.82Å; L854-E856 PolarHBondContact O-N 3.25Å; L854-R857 PolarHBondContact O-N 2.91Å; L854-V858 WeakPolarHBondContact O-CG2 3.27Å; L854-V858 PolarHBondContact O-N 3.44Å
855	T	95.8	Very high	89.9	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-56.4	-50.1	172.1	-63.1	0	0	0	0	111	F837 A851 K852 R857 V858 Q859 L953	F837-T855 VanDerWaalsContact CE2-OG1 3.29Å; F837-T855 WeakPolarHBondContact CE2-OG1 3.42Å; A851-T855 WeakPolarHBondContact O-CB 3.43Å; A851-T855 PolarHBondContact O-N 3.49Å; A851-T855 PolarHBondContact O-OG1 3.3Å; K852-T855 PolarHBondContact O-N 3.29Å; T855-R857 VanDerWaalsContact C-N 3.28Å; T855-R857 PolarHBondContact O-N 2.8Å; T855-V858 PolarHBondContact O-N 2.89Å; T855-Q859 HydrophobicContact CG2-CG 4.26Å; T855-Q859 WeakPolarHBondContact O-CB 3.21Å; T855-Q859 VanDerWaalsContact O-CG 3.28Å; T855-Q859 WeakPolarHBondContact O-CG 3.24Å; T855-Q859 PolarHBondContact O-N 3.49Å; T855-L953 HydrophobicContact CG2-CD1 3.78Å; T855-L953 HydrophobicContact CG2-CD2 4.07Å
856	E	93.2	Very high	89.2	Confident	95 Å²	95	60.9 Å²	60.9	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-39.5	178.6	-75	177.8	-171.7	0	0	112	K852 K853 L854 N860	K852-E856 WeakPolarHBondContact O-CG 3.41Å; K852-E856 PolarHBondContact O-N 3.12Å; K853-E856 PolarHBondContact O-N 3.14Å; L854-E856 PolarHBondContact O-N 3.25Å; E856-N860 VanDerWaalsContact O-CB 3.25Å; E856-N860 WeakPolarHBondContact O-CB 3.41Å; E856-N860 PolarHBondContact O-N 2.95Å; E856-N860 PolarHBondContact O-ND2 3.14Å
857	R	94.6	Very high	88.6	Confident	99 Å²	99	66.8 Å²	66.8	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-45.9	176.2	-168.4	-178.3	180	-162.3	-2.6	111.7	F808 K853 L854 T855 Q859 N860 A861 E864	F808-R857 HydrophobicContact CD2-CB 4.41Å; F808-R857 HydrophobicContact CD2-CG 3.91Å; F808-R857 HydrophobicContact CE2-CG 3.77Å; F808-R857 HydrophobicContact CZ-CG 4.35Å; K853-R857 WeakPolarHBondContact O-CB 3.34Å; K853-R857 PolarHBondContact O-N 2.89Å; L854-R857 PolarHBondContact O-N 2.91Å; T855-R857 VanDerWaalsContact C-N 3.28Å; T855-R857 PolarHBondContact O-N 2.8Å; R857-Q859 PolarHBondContact O-N 2.9Å; R857-N860 CarbonylContact O-C 3.48Å; R857-N860 PolarHBondContact O-N 3.27Å; R857-A861 WeakPolarHBondContact O-CA 3.42Å; R857-A861 WeakPolarHBondContact O-CB 3.06Å; R857-A861 PolarHBondContact O-N 3.16Å; R857-E864 IonicContact NE-OE2 3.56Å
858	V	94.8	Very high	88	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-47.7	177.4	176.2	0	0	0	0	110.7	A805 F808 I833 P835 L854 T855 N860	A805-V858 HydrophobicContact CB-CG2 4.22Å; F808-V858 HydrophobicContact CD2-CG2 3.79Å; F808-V858 HydrophobicContact CE2-CG2 4.38Å; I833-V858 HydrophobicContact CG2-CG1 4.08Å; P835-V858 HydrophobicContact CG-CB 4.01Å; P835-V858 HydrophobicContact CG-CG1 3.86Å; P835-V858 HydrophobicContact CG-CG2 4.3Å; L854-V858 WeakPolarHBondContact O-CG2 3.27Å; L854-V858 PolarHBondContact O-N 3.44Å; T855-V858 PolarHBondContact O-N 2.89Å; V858-N860 VanDerWaalsContact C-N 3.3Å; V858-N860 PolarHBondContact O-N 3.22Å
859	Q	94.1	Very high	87.3	Confident	29 Å²	29	64 Å²	64	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-34.5	179.8	-69.8	-179.6	-13.9	0	0	112.8	G830 I833 T855 R857	G830-Q859 WeakPolarHBondContact O-CG 3.37Å; I833-Q859 HydrophobicContact CB-CG 4.14Å; I833-Q859 PolarHBondContact O-NE2 3.02Å; T855-Q859 HydrophobicContact CG2-CG 4.26Å; T855-Q859 WeakPolarHBondContact O-CB 3.21Å; T855-Q859 VanDerWaalsContact O-CG 3.28Å; T855-Q859 WeakPolarHBondContact O-CG 3.24Å; T855-Q859 PolarHBondContact O-N 3.49Å; R857-Q859 PolarHBondContact O-N 2.9Å
860	N	89.9	Confident	86.5	Confident	79 Å²	79	67.5 Å²	67.5	42%	0.422	34%	0.341	S	S	.	.	H	α-helix	trans	-105	4.5	-174.2	-65.6	-61.8	0	0	0	115	E856 R857 V858 G862 T863 E864	E856-N860 VanDerWaalsContact O-CB 3.25Å; E856-N860 WeakPolarHBondContact O-CB 3.41Å; E856-N860 PolarHBondContact O-N 2.95Å; E856-N860 PolarHBondContact O-ND2 3.14Å; R857-N860 CarbonylContact O-C 3.48Å; R857-N860 PolarHBondContact O-N 3.27Å; V858-N860 VanDerWaalsContact C-N 3.3Å; V858-N860 PolarHBondContact O-N 3.22Å; N860-G862 PolarHBondContact O-N 2.91Å; N860-G862 VanDerWaalsContact O-N 3.14Å; N860-T863 WeakPolarHBondContact O-CA 3.47Å; N860-T863 VanDerWaalsContact O-CB 3.25Å; N860-T863 WeakPolarHBondContact O-CB 3.43Å; N860-T863 PolarHBondContact O-N 3Å; N860-E864 PolarHBondContact O-N 2.76Å
861	A	88.4	Confident	85.2	Confident	4 Å²	4	65.6 Å²	65.6	3%	0.033	34%	0.341	C	S	.	.	H	α-helix	trans	-57.3	-32.6	-177.8	0	0	0	0	0	113.4	R804 F808 R857 T863 E864 V865	R804-A861 HydrophobicContact CG-CB 4.3Å; F808-A861 HydrophobicContact CE2-CB 3.94Å; F808-A861 HydrophobicContact CZ-CB 3.97Å; R857-A861 WeakPolarHBondContact O-CA 3.42Å; R857-A861 WeakPolarHBondContact O-CB 3.06Å; R857-A861 PolarHBondContact O-N 3.16Å; A861-T863 VanDerWaalsContact C-N 3.33Å; A861-E864 WeakPolarHBondContact O-CB 3.36Å; A861-E864 PolarHBondContact O-N 2.87Å; A861-V865 PolarHBondContact O-N 3.19Å
862	G	83.1	Confident	83.8	Confident	24 Å²	24	70.4 Å²	70.4	25%	0.247	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-40.3	172.6	0	0	0	0	0	112.6	N860 V865 V866	N860-G862 PolarHBondContact O-N 2.91Å; N860-G862 VanDerWaalsContact O-N 3.14Å; G862-V865 PolarHBondContact O-N 2.93Å; G862-V866 WeakPolarHBondContact O-CG2 3.33Å; G862-V866 PolarHBondContact O-N 2.88Å; G862-V866 VanDerWaalsContact O-N 3.14Å
863	T	80.3	Confident	82.5	Confident	67 Å²	67	67.1 Å²	67.1	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-68.7	-37.4	177.6	-52.4	0	0	0	0	111.4	N860 A861 V866 K867	N860-T863 WeakPolarHBondContact O-CA 3.47Å; N860-T863 VanDerWaalsContact O-CB 3.25Å; N860-T863 WeakPolarHBondContact O-CB 3.43Å; N860-T863 PolarHBondContact O-N 3Å; A861-T863 VanDerWaalsContact C-N 3.33Å; T863-V866 PolarHBondContact O-N 2.99Å; T863-K867 HydrophobicContact CG2-CD 4.42Å; T863-K867 WeakPolarHBondContact O-CB 3.32Å; T863-K867 WeakPolarHBondContact O-CG 3.47Å; T863-K867 PolarHBondContact O-N 3.49Å
864	E	82.1	Confident	81.7	Confident	96 Å²	96	61.7 Å²	61.7	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-55.8	-49.3	173.6	-173.8	-175.1	150.3	0	0	111.1	R857 N860 A861 V866 K867 A868	R857-E864 IonicContact NE-OE2 3.56Å; N860-E864 PolarHBondContact O-N 2.76Å; A861-E864 WeakPolarHBondContact O-CB 3.36Å; A861-E864 PolarHBondContact O-N 2.87Å; E864-V866 PolarHBondContact O-N 2.7Å; E864-K867 PolarHBondContact O-N 2.95Å; E864-A868 WeakPolarHBondContact O-CB 3.44Å; E864-A868 PolarHBondContact O-N 2.8Å
865	V	82.8	Confident	81.1	Confident	41 Å²	41	61.4 Å²	61.4	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-40.8	178.2	179	0	0	0	0	112.2	A861 G862 K867 A868 K869 A875	A861-V865 PolarHBondContact O-N 3.19Å; G862-V865 PolarHBondContact O-N 2.93Å; V865-K867 VanDerWaalsContact C-N 3.3Å; V865-K867 PolarHBondContact O-N 2.9Å; V865-A868 PolarHBondContact O-N 3.08Å; V865-K869 HydrophobicContact CG1-CD 4.13Å; V865-K869 HydrophobicContact CG1-CG 4.41Å; V865-K869 WeakPolarHBondContact O-CB 3.38Å; V865-K869 WeakPolarHBondContact O-CG 3.33Å; V865-K869 PolarHBondContact O-N 3.06Å; V865-A875 HydrophobicContact CB-CB 3.9Å; V865-A875 HydrophobicContact CG1-CB 3.85Å; V865-A875 HydrophobicContact CG2-CB 3.88Å
866	V	73.1	Confident	80.7	Confident	58 Å²	58	62.7 Å²	62.7	35%	0.352	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-40.3	177.2	172.9	0	0	0	0	110.7	G862 T863 E864 K869 E870 G871	G862-V866 WeakPolarHBondContact O-CG2 3.33Å; G862-V866 PolarHBondContact O-N 2.88Å; G862-V866 VanDerWaalsContact O-N 3.14Å; T863-V866 PolarHBondContact O-N 2.99Å; E864-V866 PolarHBondContact O-N 2.7Å; V866-K869 CarbonylContact O-C 3.56Å; V866-K869 PolarHBondContact O-N 2.59Å; V866-E870 PolarHBondContact O-N 3.31Å; V866-G871 PolarHBondContact O-N 3.16Å
867	K	76.1	Confident	80.5	Confident	157 Å²	157	64 Å²	64	68%	0.683	36%	0.362	S	S	*	.	H	α-helix	trans	-65.2	-45.7	174.9	-75.1	176.9	177.7	-179.1	0	111.8	T863 E864 V865 K869 E870	T863-K867 HydrophobicContact CG2-CD 4.42Å; T863-K867 WeakPolarHBondContact O-CB 3.32Å; T863-K867 WeakPolarHBondContact O-CG 3.47Å; T863-K867 PolarHBondContact O-N 3.49Å; E864-K867 PolarHBondContact O-N 2.95Å; V865-K867 VanDerWaalsContact C-N 3.3Å; V865-K867 PolarHBondContact O-N 2.9Å; K867-K869 PolarHBondContact O-N 3.46Å; K867-E870 WeakPolarHBondContact O-CA 2.98Å; K867-E870 PolarHBondContact O-N 3.22Å
868	A	78.2	Confident	80.3	Confident	86 Å²	86	61.3 Å²	61.3	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-63.6	-27.9	178.4	0	0	0	0	0	112.9	E864 V865 E870	E864-A868 WeakPolarHBondContact O-CB 3.44Å; E864-A868 PolarHBondContact O-N 2.8Å; V865-A868 PolarHBondContact O-N 3.08Å; A868-E870 VanDerWaalsContact C-N 3.3Å
869	K	73.3	Confident	80	Confident	74 Å²	74	62.4 Å²	62.4	32%	0.322	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.1	171.7	-68.1	-174	174.9	-172.5	0	113.3	V865 V866 K867 G871 S872 S874	V865-K869 HydrophobicContact CG1-CD 4.13Å; V865-K869 HydrophobicContact CG1-CG 4.41Å; V865-K869 WeakPolarHBondContact O-CB 3.38Å; V865-K869 WeakPolarHBondContact O-CG 3.33Å; V865-K869 PolarHBondContact O-N 3.06Å; V866-K869 CarbonylContact O-C 3.56Å; V866-K869 PolarHBondContact O-N 2.59Å; K867-K869 PolarHBondContact O-N 3.46Å; K869-G871 PolarHBondContact O-N 3.02Å; K869-S872 VanDerWaalsContact O-CB 3.25Å; K869-S872 WeakPolarHBondContact O-CB 3.46Å; K869-S872 PolarHBondContact O-N 3.42Å; K869-S872 PolarHBondContact O-OG 3.19Å; K869-S874 PolarHBondContact NZ-O 3.04Å
870	E	73.2	Confident	79.9	Confident	185 Å²	185	61 Å²	61	86%	0.864	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.7	-178.9	-56.9	-179.3	172.4	0	0	113.5	V866 K867 A868 S872	V866-E870 PolarHBondContact O-N 3.31Å; K867-E870 WeakPolarHBondContact O-CA 2.98Å; K867-E870 PolarHBondContact O-N 3.22Å; A868-E870 VanDerWaalsContact C-N 3.3Å; E870-S872 VanDerWaalsContact C-N 3.27Å; E870-S872 PolarHBondContact O-N 3.34Å
871	G	64.3	Low	79.9	Confident	30 Å²	30	61.8 Å²	61.8	31%	0.309	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-2.1	-176.4	0	0	0	0	0	115.4	V866 K869 G873	V866-G871 PolarHBondContact O-N 3.16Å; K869-G871 PolarHBondContact O-N 3.02Å; G871-G873 VanDerWaalsContact C-N 3.25Å; G871-G873 PolarHBondContact O-N 3.5Å
872	S	61.6	Low	79.9	Confident	109 Å²	109	61.7 Å²	61.7	76%	0.762	35%	0.354	S	S	*	.	S	Bend	trans	-72	-13.7	-179.4	69.5	0	0	0	0	114.2	K869 E870	K869-S872 VanDerWaalsContact O-CB 3.25Å; K869-S872 WeakPolarHBondContact O-CB 3.46Å; K869-S872 PolarHBondContact O-N 3.42Å; K869-S872 PolarHBondContact O-OG 3.19Å; E870-S872 VanDerWaalsContact C-N 3.27Å; E870-S872 PolarHBondContact O-N 3.34Å
873	G	66.1	Low	80.1	Confident	24 Å²	24	60.6 Å²	60.6	25%	0.247	34%	0.343	C	S	.	.			trans	-168	174.4	179.9	0	0	0	0	0	115	G871	G871-G873 VanDerWaalsContact C-N 3.25Å; G871-G873 PolarHBondContact O-N 3.5Å
874	S	75.5	Confident	80.5	Confident	25 Å²	25	57.6 Å²	57.6	18%	0.175	32%	0.324	C	S	.	.			trans	-105	179.5	175.9	61.5	0	0	0	0	111.7	K869 T876	K869-S874 PolarHBondContact NZ-O 3.04Å; S874-T876 PolarHBondContact O-N 3.35Å; S874-T876 WeakPolarHBondContact OG-CG2 3.31Å
875	A	83	Confident	80.7	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.033	31%	0.307	C	S	.	.			trans	-75.4	55.9	176.5	0	0	0	0	0	112.8	V865 L877 S878 M879	V865-A875 HydrophobicContact CB-CB 3.9Å; V865-A875 HydrophobicContact CG1-CB 3.85Å; V865-A875 HydrophobicContact CG2-CB 3.88Å; A875-L877 PolarHBondContact O-N 3.17Å; A875-S878 PolarHBondContact O-OG 2.84Å; A875-M879 HydrophobicContact CB-CE 4.21Å; A875-M879 WeakPolarHBondContact O-CB 3.36Å; A875-M879 WeakPolarHBondContact O-CG 3.27Å; A875-M879 PolarHBondContact O-N 3.49Å; A875-M879 VanDerWaalsContact O-N 3.09Å
876	T	87	Confident	80.9	Confident	30 Å²	30	52 Å²	52	18%	0.184	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-42.4	-171.7	51.9	0	0	0	0	113.7	G663 I664 S874 M879 A880	G663-T876 WeakPolarHBondContact O-CB 3.49Å; I664-T876 HydrophobicContact CG1-CG2 4.13Å; S874-T876 PolarHBondContact O-N 3.35Å; S874-T876 WeakPolarHBondContact OG-CG2 3.31Å; T876-M879 PolarHBondContact O-N 2.87Å; T876-A880 WeakPolarHBondContact O-CB 3.44Å; T876-A880 PolarHBondContact O-N 3.48Å
877	L	89.6	Confident	81.2	Confident	123 Å²	123	49.2 Å²	49.2	64%	0.644	28%	0.278	S	S	*	.	H	α-helix	trans	-67.9	-44.8	-177.3	-61.8	179.2	0	0	0	112.5	P667 A875 A880 Y881	P667-L877 HydrophobicContact CB-CD2 4.11Å; P667-L877 HydrophobicContact CG-CD2 4.16Å; A875-L877 PolarHBondContact O-N 3.17Å; L877-A880 PolarHBondContact O-N 3.34Å; L877-Y881 PolarHBondContact O-N 3.46Å
878	S	89.4	Confident	81	Confident	42 Å²	42	42.5 Å²	42.5	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-71.6	-31.6	177.8	50.5	0	0	0	0	112.3	A875 A882	A875-S878 PolarHBondContact O-OG 2.84Å; S878-A882 VanDerWaalsContact O-CB 3.3Å; S878-A882 WeakPolarHBondContact O-CB 3.43Å; S878-A882 PolarHBondContact O-N 3Å
879	M	89.6	Confident	80.1	Confident	23 Å²	23	39 Å²	39	11%	0.113	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-43.6	169.2	-72.8	169.5	-168.3	0	0	111.9	I664 L800 A875 T876 A882 G883	I664-M879 HydrophobicContact CD1-CB 4.06Å; I664-M879 HydrophobicContact CD1-CG 4.44Å; I664-M879 HydrophobicContact CD1-SD 3.56Å; I664-M879 VanDerWaalsContact CD1-SD 3.56Å; I664-M879 HydrophobicContact CG1-CB 4.15Å; I664-M879 HydrophobicContact CG1-SD 4.25Å; I664-M879 HydrophobicContact CG2-CB 4.15Å; L800-M879 HydrophobicContact CD2-CE 4.4Å; L800-M879 HydrophobicContact CD2-CG 3.65Å; A875-M879 HydrophobicContact CB-CE 4.21Å; A875-M879 WeakPolarHBondContact O-CB 3.36Å; A875-M879 WeakPolarHBondContact O-CG 3.27Å; A875-M879 PolarHBondContact O-N 3.49Å; A875-M879 VanDerWaalsContact O-N 3.09Å; T876-M879 PolarHBondContact O-N 2.87Å; M879-A882 PolarHBondContact O-N 2.81Å; M879-G883 PolarHBondContact O-N 3.18Å
880	A	90.5	Very high	79	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.4	0	0	0	0	0	111.7	I664 P667 M668 T876 L877 A882 G883 M884	I664-A880 HydrophobicContact CG2-CB 4.16Å; I664-A880 WeakPolarHBondContact O-CB 3.36Å; P667-A880 HydrophobicContact CB-CB 3.96Å; P667-A880 HydrophobicContact CG-CB 3.69Å; M668-A880 HydrophobicContact CB-CB 3.92Å; T876-A880 WeakPolarHBondContact O-CB 3.44Å; T876-A880 PolarHBondContact O-N 3.48Å; L877-A880 PolarHBondContact O-N 3.34Å; A880-A882 PolarHBondContact O-N 2.86Å; A880-G883 PolarHBondContact O-N 3.2Å; A880-M884 PolarHBondContact O-N 3.28Å
881	Y	90.5	Very high	77.7	Confident	94 Å²	94	33.8 Å²	33.8	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-43.9	173.1	177.7	-97.2	0	0	0	112	V803 L877 M884 R885	V803-Y881 HydrophobicContact CG1-CD1 4.34Å; V803-Y881 HydrophobicContact CG1-CE1 4.2Å; V803-Y881 HydrophobicContact CG2-CD1 4.29Å; V803-Y881 HydrophobicContact CG2-CE1 4.03Å; L877-Y881 PolarHBondContact O-N 3.46Å; Y881-M884 HydrophobicContact CD2-CE 3.86Å; Y881-M884 HydrophobicContact CE2-CE 3.97Å; Y881-M884 PolarHBondContact O-N 3.16Å; Y881-R885 HydrophobicContact CE1-CB 4.49Å; Y881-R885 VanDerWaalsContact O-CB 3.29Å; Y881-R885 WeakPolarHBondContact O-CB 3.44Å; Y881-R885 PolarHBondContact O-N 3.47Å
882	A	89.1	Confident	76.7	Confident	2 Å²	2	36.1 Å²	36.1	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-41.4	178.4	0	0	0	0	0	112.8	T799 L800 S878 M879 A880 R885 F886	T799-A882 HydrophobicContact CG2-CB 4.43Å; L800-A882 HydrophobicContact CB-CB 3.7Å; L800-A882 HydrophobicContact CD1-CB 4.16Å; S878-A882 VanDerWaalsContact O-CB 3.3Å; S878-A882 WeakPolarHBondContact O-CB 3.43Å; S878-A882 PolarHBondContact O-N 3Å; M879-A882 PolarHBondContact O-N 2.81Å; A880-A882 PolarHBondContact O-N 2.86Å; A882-R885 PolarHBondContact O-N 3.45Å; A882-F886 PolarHBondContact O-N 2.8Å
883	G	87.8	Confident	75.9	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-44.4	174.4	0	0	0	0	0	112	M879 A880 A887	M879-G883 PolarHBondContact O-N 3.18Å; A880-G883 PolarHBondContact O-N 3.2Å; G883-A887 PolarHBondContact O-N 3.02Å
884	M	87.9	Confident	74.8	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-45.7	173	-179	-86.5	-55.5	0	0	111.6	M668 L671 L672 A880 Y881 F886 A887 H888 V890	M668-M884 HydrophobicContact CG-CB 4.48Å; L671-M884 HydrophobicContact CB-CB 3.94Å; L671-M884 HydrophobicContact CB-CE 4.08Å; L671-M884 HydrophobicContact CB-CG 3.63Å; L671-M884 HydrophobicContact CB-SD 4.48Å; L671-M884 HydrophobicContact CD1-CB 4.2Å; L671-M884 HydrophobicContact CD1-CE 4.01Å; L671-M884 HydrophobicContact CD2-CE 4.29Å; L671-M884 HydrophobicContact CG-CE 4.37Å; L672-M884 HydrophobicContact CD2-CG 4.16Å; L672-M884 HydrophobicContact CG-CG 4.41Å; A880-M884 PolarHBondContact O-N 3.28Å; Y881-M884 HydrophobicContact CD2-CE 3.86Å; Y881-M884 HydrophobicContact CE2-CE 3.97Å; Y881-M884 PolarHBondContact O-N 3.16Å; M884-F886 VanDerWaalsContact C-N 3.25Å; M884-F886 PolarHBondContact O-N 3.49Å; M884-A887 CarbonylContact O-C 3.55Å; M884-A887 WeakPolarHBondContact O-CA 3.38Å; M884-A887 WeakPolarHBondContact O-CB 3.44Å; M884-A887 PolarHBondContact O-N 2.8Å; M884-H888 PolarHBondContact O-N 3.37Å; M884-V890 HydrophobicContact CE-CG2 3.9Å; M884-V890 HydrophobicContact SD-CG2 3.84Å
885	R	85.9	Confident	73.1	Confident	19 Å²	19	37.8 Å²	37.8	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-36.6	179.2	-177.2	-175.2	173	-146.1	0.6	112.7	T799 V803 Y881 A882 A887 H888 I896 S898	T799-R885 HydrophobicContact CG2-CB 4.06Å; T799-R885 HydrophobicContact CG2-CG 4Å; V803-R885 VanDerWaalsContact CG2-NH1 3.26Å; Y881-R885 HydrophobicContact CE1-CB 4.49Å; Y881-R885 VanDerWaalsContact O-CB 3.29Å; Y881-R885 WeakPolarHBondContact O-CB 3.44Å; Y881-R885 PolarHBondContact O-N 3.47Å; A882-R885 PolarHBondContact O-N 3.45Å; R885-A887 VanDerWaalsContact C-N 3.35Å; R885-H888 VanDerWaalsContact CA-O 3.32Å; R885-H888 WeakPolarHBondContact CA-O 3.45Å; R885-I896 HydrophobicContact CG-CG2 4.08Å; R885-S898 PolarHBondContact O-OG 2.75Å
886	F	86.8	Confident	71.5	Confident	1 Å²	1	38.7 Å²	38.7	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-68.1	-35.4	174.9	-171.7	-101	0	0	0	112.2	C766 F795 V797 T799 A882 M884 S898 L899 E911 A913	C766-F886 HydrophobicContact CB-CD1 4.47Å; C766-F886 HydrophobicContact CB-CE1 4.41Å; F795-F886 HydrophobicContact CB-CE1 4.07Å; F795-F886 HydrophobicContact CB-CZ 3.95Å; F795-F886 AromaticContact CD1-CZ 3.93Å; F795-F886 HydrophobicContact CD1-CZ 3.93Å; F795-F886 HydrophobicContact CG-CE1 4.26Å; F795-F886 AromaticContact CG-CZ 3.95Å; F795-F886 HydrophobicContact CG-CZ 3.95Å; V797-F886 HydrophobicContact CG1-CB 3.76Å; V797-F886 HydrophobicContact CG1-CD1 4.44Å; V797-F886 HydrophobicContact CG1-CD2 4.39Å; V797-F886 HydrophobicContact CG1-CG 3.95Å; V797-F886 HydrophobicContact CG2-CD1 3.83Å; V797-F886 HydrophobicContact CG2-CE1 4.24Å; V797-F886 HydrophobicContact CG2-CG 4.17Å; T799-F886 VanDerWaalsContact OG1-CD2 3.32Å; T799-F886 WeakPolarHBondContact OG1-CD2 3.14Å; A882-F886 PolarHBondContact O-N 2.8Å; M884-F886 VanDerWaalsContact C-N 3.25Å; M884-F886 PolarHBondContact O-N 3.49Å; F886-S898 VanDerWaalsContact C-OG 3.3Å; F886-S898 PolarHBondContact O-OG 2.91Å; F886-S898 VanDerWaalsContact O-OG 3.05Å; F886-L899 HydrophobicContact CE1-CD2 4.27Å; F886-L899 VanDerWaalsContact O-CB 3.22Å; F886-L899 WeakPolarHBondContact O-CB 3.47Å; F886-L899 PolarHBondContact O-N 3.24Å; F886-E911 HydrophobicContact CD2-CG 3.92Å; F886-E911 HydrophobicContact CE2-CG 4.01Å; F886-A913 HydrophobicContact CE2-CB 3.98Å; F886-A913 HydrophobicContact CZ-CB 4.18Å
887	A	80.4	Confident	69.6	Low	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-78.8	-47.3	177	0	0	0	0	0	112.9	L672 L725 G883 M884 R885 S898 L900	L672-A887 HydrophobicContact CD2-CB 4.01Å; L725-A887 HydrophobicContact CD1-CB 4.32Å; G883-A887 PolarHBondContact O-N 3.02Å; M884-A887 CarbonylContact O-C 3.55Å; M884-A887 WeakPolarHBondContact O-CA 3.38Å; M884-A887 WeakPolarHBondContact O-CB 3.44Å; M884-A887 PolarHBondContact O-N 2.8Å; R885-A887 VanDerWaalsContact C-N 3.35Å; A887-S898 PolarHBondContact O-OG 2.96Å; A887-L900 HydrophobicContact CB-CD1 4.47Å; A887-L900 WeakPolarHBondContact O-CB 3.47Å; A887-L900 WeakPolarHBondContact O-CD1 3.27Å; A887-L900 WeakPolarHBondContact O-CG 3.44Å; A887-L900 PolarHBondContact O-N 2.67Å
888	H	71.2	Confident	68.8	Low	16 Å²	16	32.8 Å²	32.8	7%	0.074	19%	0.193	C	C	.	.			trans	-148	147.8	178.1	-174	64.9	0	0	0	113.7	C675 M884 R885 S898 L900	C675-H888 HydrophobicContact CB-CB 4.43Å; C675-H888 VanDerWaalsContact SG-CB 3.58Å; C675-H888 PolarHBondContact SG-CD2 2.98Å; M884-H888 PolarHBondContact O-N 3.37Å; R885-H888 VanDerWaalsContact CA-O 3.32Å; R885-H888 WeakPolarHBondContact CA-O 3.45Å; H888-S898 VanDerWaalsContact C-OG 3.25Å; H888-S898 WeakPolarHBondContact CA-OG 3.25Å; H888-S898 PolarHBondContact N-OG 2.92Å; H888-L900 HydrophobicContact CB-CD1 4.11Å
889	S	59.1	Low	68.5	Low	13 Å²	13	30.8 Å²	30.8	9%	0.091	18%	0.179	C	C	.	.			trans	-98.6	129.6	172	179.1	0	0	0	0	111.5	S891 I896	S889-S891 PolarHBondContact OG-N 3.46Å; S889-S891 PolarHBondContact OG-O 3.48Å; S889-I896 WeakPolarHBondContact CB-O 3.38Å; S889-I896 WeakPolarHBondContact OG-CB 3.16Å; S889-I896 WeakPolarHBondContact OG-CG2 3.36Å; S889-I896 PolarHBondContact OG-O 3.19Å
890	V	51	Low	68.3	Low	108 Å²	108	29.7 Å²	29.7	66%	0.655	17%	0.174	S	C	*	.			trans	-89	-12.6	173.6	-170.9	0	0	0	0	112	M884	M884-V890 HydrophobicContact CE-CG2 3.9Å; M884-V890 HydrophobicContact SD-CG2 3.84Å
891	S	45.8	Very low	68.1	Low	41 Å²	41	31.6 Å²	31.6	29%	0.287	18%	0.183	S	C	.	.	S	Bend	trans	-113	134.7	-168	-179.6	0	0	0	0	112.2	S889 S893	S889-S891 PolarHBondContact OG-N 3.46Å; S889-S891 PolarHBondContact OG-O 3.48Å; S891-S893 PolarHBondContact O-N 3.37Å
892	A	42.7	Very low	67.9	Low	79 Å²	79	27.1 Å²	27.1	65%	0.653	17%	0.166	S	C	*	.			trans	-70.5	22.1	176.4	0	0	0	0	0	114.4	K556	K556-A892 VanDerWaalsContact NZ-CB 3.27Å
893	S	44.9	Very low	67.6	Low	12 Å²	12	29 Å²	29	8%	0.084	18%	0.175	C	C	.	.			trans	-70.6	131.5	172.1	167.2	0	0	0	0	109.1	R818 S891 F895 I896	R818-S893 PolarHBondContact O-OG 3.45Å; S891-S893 PolarHBondContact O-N 3.37Å; S893-F895 PolarHBondContact O-N 3.17Å; S893-F895 PolarHBondContact OG-N 2.81Å; S893-I896 PolarHBondContact O-N 3.01Å
894	P	42.8	Very low	67.5	Low	109 Å²	109	33.5 Å²	33.5	71%	0.708	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.4	176.2	24.8	-31.9	0	0	0	113.4
895	F	40.8	Very low	67.1	Low	72 Å²	72	34.6 Å²	34.6	32%	0.316	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	2.6	-178.5	-55.4	-69.6	0	0	0	114.3	K841 S893	K841-F895 HydrophobicContact CB-CE1 4.25Å; K841-F895 HydrophobicContact CD-CE1 4.04Å; S893-F895 PolarHBondContact O-N 3.17Å; S893-F895 PolarHBondContact OG-N 2.81Å
896	I	48.2	Very low	66.9	Low	23 Å²	23	38.1 Å²	38.1	12%	0.118	23%	0.227	C	C	.	.			trans	-112	95.6	-178.9	-54.7	177.1	0	0	0	108.2	R885 S889 S893	R885-I896 HydrophobicContact CG-CG2 4.08Å; S889-I896 WeakPolarHBondContact CB-O 3.38Å; S889-I896 WeakPolarHBondContact OG-CB 3.16Å; S889-I896 WeakPolarHBondContact OG-CG2 3.36Å; S889-I896 PolarHBondContact OG-O 3.19Å; S893-I896 PolarHBondContact O-N 3.01Å
897	V	48.5	Very low	66.7	Low	27 Å²	27	46.3 Å²	46.3	16%	0.164	27%	0.265	C	S	.	.			trans	-130.8	137.8	-166.7	-154.2	0	0	0	0	110.2	I909	V897-I909 HydrophobicContact CB-CB 4.42Å; V897-I909 HydrophobicContact CB-CG2 3.82Å; V897-I909 HydrophobicContact CG1-CB 3.65Å; V897-I909 HydrophobicContact CG1-CD1 3.66Å; V897-I909 HydrophobicContact CG1-CG1 3.35Å; V897-I909 HydrophobicContact CG1-CG2 3.48Å; V897-I909 VanDerWaalsContact CG1-CG2 3.48Å
898	S	72.3	Confident	66.8	Low	1 Å²	1	48.8 Å²	48.8	1%	0.007	29%	0.291	C	S	.	.			trans	-139.8	160.8	-152	-150.1	0	0	0	0	115.7	R885 F886 A887 H888 L900 E901 A902 I909	R885-S898 PolarHBondContact O-OG 2.75Å; F886-S898 VanDerWaalsContact C-OG 3.3Å; F886-S898 PolarHBondContact O-OG 2.91Å; F886-S898 VanDerWaalsContact O-OG 3.05Å; A887-S898 PolarHBondContact O-OG 2.96Å; H888-S898 VanDerWaalsContact C-OG 3.25Å; H888-S898 WeakPolarHBondContact CA-OG 3.25Å; H888-S898 PolarHBondContact N-OG 2.92Å; S898-L900 PolarHBondContact O-N 2.92Å; S898-E901 PolarHBondContact O-N 2.84Å; S898-A902 PolarHBondContact O-N 3.29Å; S898-I909 VanDerWaalsContact O-CD1 3.29Å; S898-I909 WeakPolarHBondContact O-CD1 3.33Å
899	L	83.1	Confident	67.4	Low	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-43.8	-172.4	-179.8	66.3	0	0	0	114.2	V723 I764 F886 E901 A902 L903 L932	V723-L899 HydrophobicContact CG1-CD2 3.97Å; V723-L899 HydrophobicContact CG2-CD2 4.19Å; I764-L899 HydrophobicContact CD1-CD1 3.96Å; I764-L899 HydrophobicContact CG2-CD1 4.49Å; I764-L899 HydrophobicContact CG2-CD2 3.84Å; F886-L899 HydrophobicContact CE1-CD2 4.27Å; F886-L899 VanDerWaalsContact O-CB 3.22Å; F886-L899 WeakPolarHBondContact O-CB 3.47Å; F886-L899 PolarHBondContact O-N 3.24Å; L899-E901 VanDerWaalsContact C-N 3.27Å; L899-E901 PolarHBondContact O-N 3.16Å; L899-A902 WeakPolarHBondContact O-CB 3.41Å; L899-A902 PolarHBondContact O-N 3.21Å; L899-L903 HydrophobicContact CG-CD1 4.33Å; L899-L903 WeakPolarHBondContact O-CG 3.18Å; L899-L903 PolarHBondContact O-N 3.46Å; L899-L932 HydrophobicContact CB-CD1 4.26Å; L899-L932 HydrophobicContact CD1-CD1 4.26Å
900	L	85.9	Confident	68.7	Low	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-28.3	-178.8	-74.2	169	0	0	0	112.6	A653 V655 L677 I678 V723 A887 H888 S898 L903 N904	A653-L900 HydrophobicContact CB-CD2 3.47Å; A653-L900 VanDerWaalsContact CB-CD2 3.47Å; V655-L900 HydrophobicContact CG2-CD1 4.35Å; V655-L900 HydrophobicContact CG2-CD2 4.29Å; L677-L900 HydrophobicContact CB-CB 4.32Å; L677-L900 HydrophobicContact CD1-CB 3.96Å; I678-L900 HydrophobicContact CD1-CD1 4.05Å; I678-L900 HydrophobicContact CG1-CD1 3.8Å; V723-L900 HydrophobicContact CG2-CD2 4.12Å; A887-L900 HydrophobicContact CB-CD1 4.47Å; A887-L900 WeakPolarHBondContact O-CB 3.47Å; A887-L900 WeakPolarHBondContact O-CD1 3.27Å; A887-L900 WeakPolarHBondContact O-CG 3.44Å; A887-L900 PolarHBondContact O-N 2.67Å; H888-L900 HydrophobicContact CB-CD1 4.11Å; S898-L900 PolarHBondContact O-N 2.92Å; L900-L903 HydrophobicContact CD2-CD1 4.17Å; L900-N904 PolarHBondContact O-N 2.82Å; L900-N904 VanDerWaalsContact O-N 3.16Å; L900-N904 PolarHBondContact O-ND2 2.77Å
901	E	86.2	Confident	70.5	Confident	40 Å²	40	46.9 Å²	46.9	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-70.8	-40.4	172.9	-61.4	-172.5	123.5	0	0	111.2	L677 S898 L899 L903 N904 G905 K906 I909	L677-E901 HydrophobicContact CD1-CG 4.05Å; S898-E901 PolarHBondContact O-N 2.84Å; L899-E901 VanDerWaalsContact C-N 3.27Å; L899-E901 PolarHBondContact O-N 3.16Å; E901-L903 VanDerWaalsContact C-N 3.33Å; E901-L903 PolarHBondContact O-N 3.35Å; E901-N904 CarbonylContact O-C 3.58Å; E901-N904 WeakPolarHBondContact O-CA 3.46Å; E901-N904 PolarHBondContact O-N 2.9Å; E901-N904 VanDerWaalsContact O-N 3.14Å; E901-G905 PolarHBondContact O-N 2.92Å; E901-K906 HydrophobicContact CB-CB 4.11Å; E901-K906 HydrophobicContact CB-CD 3.77Å; E901-K906 HydrophobicContact CG-CD 4.29Å; E901-K906 WeakPolarHBondContact O-CB 3.33Å; E901-K906 PolarHBondContact O-N 2.7Å; E901-K906 IonicContact OE1-NZ 2.64Å; E901-K906 PolarHBondContact OE1-NZ 2.97Å; E901-K906 IonicContact OE2-NZ 3.44Å; E901-K906 PolarHBondContact OE2-NZ 3.38Å; E901-I909 HydrophobicContact CB-CD1 3.63Å
902	A	84.5	Confident	72.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-41.5	175.7	0	0	0	0	0	111.5	S898 L899 N904 G905 I909 L932 G933 K934	S898-A902 PolarHBondContact O-N 3.29Å; L899-A902 WeakPolarHBondContact O-CB 3.41Å; L899-A902 PolarHBondContact O-N 3.21Å; A902-N904 VanDerWaalsContact C-N 3.25Å; A902-N904 PolarHBondContact O-N 3.45Å; A902-G905 WeakPolarHBondContact O-CA 3.27Å; A902-G905 PolarHBondContact O-N 2.66Å; A902-I909 HydrophobicContact CB-CD1 3.74Å; A902-I909 HydrophobicContact CB-CG1 4.39Å; A902-I909 VanDerWaalsContact N-CD1 3.26Å; A902-L932 HydrophobicContact CB-CB 3.67Å; A902-G933 CarbonylContact O-C 3.59Å; A902-K934 PolarHBondContact O-N 3.42Å
903	L	84.2	Confident	75.1	Confident	42 Å²	42	41.4 Å²	41.4	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-36.8	173.9	-73.7	174.2	0	0	0	112.1	V723 I764 L899 L900 E901 G905 K934	V723-L903 HydrophobicContact CG2-CD1 3.55Å; I764-L903 HydrophobicContact CD1-CD1 4.29Å; I764-L903 HydrophobicContact CD1-CD2 3.78Å; I764-L903 HydrophobicContact CD1-CG 4.37Å; L899-L903 HydrophobicContact CG-CD1 4.33Å; L899-L903 WeakPolarHBondContact O-CG 3.18Å; L899-L903 PolarHBondContact O-N 3.46Å; L900-L903 HydrophobicContact CD2-CD1 4.17Å; E901-L903 VanDerWaalsContact C-N 3.33Å; E901-L903 PolarHBondContact O-N 3.35Å; L903-G905 PolarHBondContact O-N 2.78Å; L903-K934 VanDerWaalsContact CD2-O 3.28Å; L903-K934 WeakPolarHBondContact CD2-O 3.48Å
904	N	84.3	Confident	77.6	Confident	95 Å²	95	40.8 Å²	40.8	51%	0.508	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	8.2	173.3	-75.8	-33.8	0	0	0	114	L900 E901 A902	L900-N904 PolarHBondContact O-N 2.82Å; L900-N904 VanDerWaalsContact O-N 3.16Å; L900-N904 PolarHBondContact O-ND2 2.77Å; E901-N904 CarbonylContact O-C 3.58Å; E901-N904 WeakPolarHBondContact O-CA 3.46Å; E901-N904 PolarHBondContact O-N 2.9Å; E901-N904 VanDerWaalsContact O-N 3.14Å; A902-N904 VanDerWaalsContact C-N 3.25Å; A902-N904 PolarHBondContact O-N 3.45Å
905	G	81.2	Confident	80.1	Confident	26 Å²	26	35.6 Å²	35.6	27%	0.268	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	10.6	170.7	0	0	0	0	0	115.9	E901 A902 L903 E907 K934	E901-G905 PolarHBondContact O-N 2.92Å; A902-G905 WeakPolarHBondContact O-CA 3.27Å; A902-G905 PolarHBondContact O-N 2.66Å; L903-G905 PolarHBondContact O-N 2.78Å; G905-E907 PolarHBondContact O-N 2.92Å; G905-K934 VanDerWaalsContact CA-CE 3.49Å
906	K	82	Confident	82.7	Confident	93 Å²	93	35.1 Å²	35.1	40%	0.404	19%	0.193	S	C	.	.			trans	-70.1	120.5	169.8	-176.8	-176.1	-173.7	-176.9	0	109	E901 I909	E901-K906 HydrophobicContact CB-CB 4.11Å; E901-K906 HydrophobicContact CB-CD 3.77Å; E901-K906 HydrophobicContact CG-CD 4.29Å; E901-K906 WeakPolarHBondContact O-CB 3.33Å; E901-K906 PolarHBondContact O-N 2.7Å; E901-K906 IonicContact OE1-NZ 2.64Å; E901-K906 PolarHBondContact OE1-NZ 2.97Å; E901-K906 IonicContact OE2-NZ 3.44Å; E901-K906 PolarHBondContact OE2-NZ 3.38Å; K906-I909 HydrophobicContact CB-CD1 4.03Å; K906-I909 HydrophobicContact CD-CD1 3.98Å; K906-I909 HydrophobicContact CG-CD1 4.07Å; K906-I909 HydrophobicContact CG-CG1 4.33Å; K906-I909 WeakPolarHBondContact O-CG1 3.47Å
907	E	81.4	Confident	84.8	Confident	174 Å²	174	34.6 Å²	34.6	81%	0.813	19%	0.191	S	C	*	.			trans	-86.9	164	-178.4	-63.3	-178.8	-179.9	0	0	112	G905 I909	G905-E907 PolarHBondContact O-N 2.92Å; E907-I909 VanDerWaalsContact C-N 3.34Å; E907-I909 PolarHBondContact O-N 2.88Å
908	G	81.9	Confident	86.7	Confident	52 Å²	52	40.3 Å²	40.3	54%	0.536	22%	0.22	S	C	.	.			trans	76.9	15.5	172.9	0	0	0	0	0	115.3	I910	G908-I910 PolarHBondContact O-N 3.15Å
909	I	85.1	Confident	87.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.1	178.7	-53.1	-162.2	0	0	0	109.4	V897 S898 E901 A902 K906 E907 M931 L932	V897-I909 HydrophobicContact CB-CB 4.42Å; V897-I909 HydrophobicContact CB-CG2 3.82Å; V897-I909 HydrophobicContact CG1-CB 3.65Å; V897-I909 HydrophobicContact CG1-CD1 3.66Å; V897-I909 HydrophobicContact CG1-CG1 3.35Å; V897-I909 HydrophobicContact CG1-CG2 3.48Å; V897-I909 VanDerWaalsContact CG1-CG2 3.48Å; S898-I909 VanDerWaalsContact O-CD1 3.29Å; S898-I909 WeakPolarHBondContact O-CD1 3.33Å; E901-I909 HydrophobicContact CB-CD1 3.63Å; A902-I909 HydrophobicContact CB-CD1 3.74Å; A902-I909 HydrophobicContact CB-CG1 4.39Å; A902-I909 VanDerWaalsContact N-CD1 3.26Å; K906-I909 HydrophobicContact CB-CD1 4.03Å; K906-I909 HydrophobicContact CD-CD1 3.98Å; K906-I909 HydrophobicContact CG-CD1 4.07Å; K906-I909 HydrophobicContact CG-CG1 4.33Å; K906-I909 WeakPolarHBondContact O-CG1 3.47Å; E907-I909 VanDerWaalsContact C-N 3.34Å; E907-I909 PolarHBondContact O-N 2.88Å; I909-M931 CarbonylContact O-C 3.6Å; I909-M931 VanDerWaalsContact O-CA 3.26Å; I909-M931 WeakPolarHBondContact O-CA 3.28Å; I909-L932 HydrophobicContact CB-CB 4.22Å; I909-L932 HydrophobicContact CG2-CB 4.03Å; I909-L932 HydrophobicContact CG2-CD1 3.96Å; I909-L932 HydrophobicContact CG2-CG 4.24Å; I909-L932 PolarHBondContact O-N 3.29Å
910	I	86.5	Confident	87.9	Confident	85 Å²	85	44.9 Å²	44.9	44%	0.436	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.1	177	-59	175.5	0	0	0	109.3	G908 P929 V930 M931	G908-I910 PolarHBondContact O-N 3.15Å; I910-P929 HydrophobicContact CG2-CB 3.87Å; I910-V930 VanDerWaalsContact CA-O 3.31Å; I910-V930 WeakPolarHBondContact CA-O 3.35Å; I910-M931 HydrophobicContact CD1-CE 4.39Å; I910-M931 HydrophobicContact CG1-CE 4.41Å
911	E	87.3	Confident	87.9	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.056	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154	176.8	-173.4	56.7	-164.3	0	0	109.9	T799 F886 P929 V930 L932	T799-E911 PolarHBondContact OG1-OE1 2.91Å; F886-E911 HydrophobicContact CD2-CG 3.92Å; F886-E911 HydrophobicContact CE2-CG 4.01Å; E911-P929 CarbonylContact O-C 3.31Å; E911-V930 PolarHBondContact N-O 3.01Å; E911-V930 WeakPolarHBondContact O-CG2 3.31Å; E911-V930 PolarHBondContact O-N 2.92Å; E911-L932 HydrophobicContact CB-CD1 4.46Å
912	C	91.9	Very high	88	Confident	4 Å²	4	51 Å²	51	3%	0.027	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128	172.8	-64.5	0	0	0	0	110.5	T798 L802 V824 T928	T798-C912 PolarHBondContact OG1-O 3.49Å; L802-C912 HydrophobicContact CD1-CB 3.81Å; L802-C912 HydrophobicContact CD2-CB 3.91Å; L802-C912 HydrophobicContact CG-CB 4.34Å; V824-C912 WeakPolarHBondContact O-CB 3.44Å; C912-T928 WeakPolarHBondContact CA-O 3.22Å
913	A	94.4	Very high	88.4	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.4	176.3	0	0	0	0	0	111.1	F795 T798 F886 V915 A927 T928 V930	F795-A913 HydrophobicContact CD1-CB 3.93Å; T798-A913 WeakPolarHBondContact OG1-CA 3.45Å; F886-A913 HydrophobicContact CE2-CB 3.98Å; F886-A913 HydrophobicContact CZ-CB 4.18Å; A913-V915 HydrophobicContact CB-CG1 4.27Å; A913-V915 PolarHBondContact O-N 3.46Å; A913-A927 WeakPolarHBondContact O-CA 3.5Å; A913-T928 PolarHBondContact N-O 2.74Å; A913-T928 PolarHBondContact O-N 3.07Å; A913-V930 HydrophobicContact CB-CG2 3.98Å
914	L	96.6	Very high	88.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.4	172.2	-174.7	89.9	0	0	0	108.7	V772 V776 G796 T798 F925 A927	V772-L914 HydrophobicContact CG1-CD2 4.03Å; V776-L914 HydrophobicContact CB-CD2 3.89Å; V776-L914 HydrophobicContact CG1-CD2 4.18Å; V776-L914 HydrophobicContact CG2-CD2 4.04Å; G796-L914 PolarHBondContact N-O 3.24Å; G796-L914 PolarHBondContact O-N 3.06Å; T798-L914 HydrophobicContact CG2-CB 4.04Å; L914-F925 HydrophobicContact CD1-CB 4.43Å; L914-F925 HydrophobicContact CG-CB 4.41Å; L914-A927 HydrophobicContact CB-CB 4.38Å; L914-A927 HydrophobicContact CD1-CB 4.39Å
915	V	95.9	Very high	89.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.9	-179.2	-64.4	0	0	0	0	110.4	F795 A913 S917 F925 M926 V930 L937	F795-V915 HydrophobicContact CD1-CG1 3.61Å; F795-V915 HydrophobicContact CE1-CG1 3.93Å; A913-V915 HydrophobicContact CB-CG1 4.27Å; A913-V915 PolarHBondContact O-N 3.46Å; V915-S917 PolarHBondContact O-N 2.82Å; V915-F925 VanDerWaalsContact O-CA 3.28Å; V915-F925 WeakPolarHBondContact O-CA 3.38Å; V915-M926 PolarHBondContact N-O 3.15Å; V915-M926 PolarHBondContact O-N 2.87Å; V915-M926 VanDerWaalsContact O-N 3.1Å; V915-V930 HydrophobicContact CG1-CG1 4.34Å; V915-V930 HydrophobicContact CG2-CG1 3.82Å; V915-L937 HydrophobicContact CB-CD2 4.32Å; V915-L937 HydrophobicContact CG1-CD2 4.42Å; V915-L937 HydrophobicContact CG2-CD2 4.33Å
916	E	95	Very high	90.1	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	133.3	168.4	-167.9	168	-149.7	0	0	109	K784 Y789 P791 P924 F925	K784-E916 IonicContact NZ-OE1 3.14Å; K784-E916 PolarHBondContact NZ-OE1 3.47Å; K784-E916 IonicContact NZ-OE2 3.24Å; Y789-E916 WeakPolarHBondContact CE1-OE2 3.41Å; Y789-E916 VanDerWaalsContact OH-CD 3.3Å; Y789-E916 PolarHBondContact OH-OE2 2.89Å; P791-E916 HydrophobicContact CB-CB 4.29Å; P791-E916 WeakPolarHBondContact CB-OE2 3.42Å; E916-P924 CarbonylContact C-O 3.52Å; E916-P924 VanDerWaalsContact CA-O 3.25Å; E916-P924 WeakPolarHBondContact CA-O 3.27Å; E916-P924 WeakPolarHBondContact CG-O 3.49Å; E916-F925 HydrophobicContact CB-CD1 4.19Å; E916-F925 HydrophobicContact CB-CE1 3.78Å; E916-F925 HydrophobicContact CB-CZ 4.28Å; E916-F925 HydrophobicContact CG-CE1 4.31Å; E916-F925 HydrophobicContact CG-CZ 4.33Å
917	S	91.9	Very high	90.8	Very high	12 Å²	12	41.2 Å²	41.2	8%	0.084	25%	0.249	C	C	.	.			trans	-147.2	146.8	-169.7	-173.2	0	0	0	0	111.2	V915 I919 P924	V915-S917 PolarHBondContact O-N 2.82Å; S917-I919 VanDerWaalsContact OG-CD1 3.32Å; S917-I919 WeakPolarHBondContact OG-CD1 3.24Å; S917-I919 VanDerWaalsContact OG-CG1 3.31Å; S917-I919 WeakPolarHBondContact OG-CG1 3.44Å; S917-I919 PolarHBondContact OG-N 2.83Å; S917-P924 PolarHBondContact N-O 3.49Å; S917-P924 CarbonylContact O-C 3.37Å; S917-P924 WeakPolarHBondContact O-CA 3.47Å
918	D	89.4	Confident	91.4	Very high	146 Å²	146	33 Å²	33	78%	0.781	21%	0.21	S	C	*	.			trans	-117.2	5.8	173.6	61.7	-15.6	0	0	0	112.4	I920	D918-I920 VanDerWaalsContact C-N 3.29Å; D918-I920 PolarHBondContact O-N 2.64Å
919	I	90	Very high	91.9	Very high	55 Å²	55	31.3 Å²	31.3	28%	0.282	19%	0.19	S	C	.	.	S	Bend	trans	-58.5	-42.4	-175.3	-64.7	164	0	0	0	111.4	S917 T928 N940 G942 L943	S917-I919 VanDerWaalsContact OG-CD1 3.32Å; S917-I919 WeakPolarHBondContact OG-CD1 3.24Å; S917-I919 VanDerWaalsContact OG-CG1 3.31Å; S917-I919 WeakPolarHBondContact OG-CG1 3.44Å; S917-I919 PolarHBondContact OG-N 2.83Å; I919-T928 HydrophobicContact CD1-CG2 3.67Å; I919-N940 WeakPolarHBondContact CD1-OD1 3.43Å; I919-G942 VanDerWaalsContact CD1-CA 3.49Å; I919-L943 HydrophobicContact CG2-CD1 4.18Å; I919-L943 HydrophobicContact CG2-CG 4.13Å
920	I	89.8	Confident	92.3	Very high	43 Å²	43	31.3 Å²	31.3	22%	0.221	19%	0.19	C	C	.	.	S	Bend	trans	-115.2	117.3	176.5	-57.2	-66.2	0	0	0	108.2	D918 G922 V923 M926 L943 L958	D918-I920 VanDerWaalsContact C-N 3.29Å; D918-I920 PolarHBondContact O-N 2.64Å; I920-G922 PolarHBondContact O-N 2.99Å; I920-V923 HydrophobicContact CB-CB 4.15Å; I920-V923 HydrophobicContact CB-CG2 3.97Å; I920-V923 HydrophobicContact CG2-CB 4.32Å; I920-V923 HydrophobicContact CG2-CG2 3.6Å; I920-V923 WeakPolarHBondContact O-CB 3.23Å; I920-V923 PolarHBondContact O-N 3.31Å; I920-M926 HydrophobicContact CG1-SD 3.97Å; I920-L943 HydrophobicContact CD1-CD1 3.89Å; I920-L943 HydrophobicContact CG1-CD1 4.23Å; I920-L958 HydrophobicContact CG2-CD1 4.15Å; I920-L958 HydrophobicContact CG2-CD2 4.21Å
921	S	86.9	Confident	92.5	Very high	112 Å²	112	29.6 Å²	29.6	78%	0.783	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.3	179.9	-171.6	0	0	0	0	112	V923	S921-V923 VanDerWaalsContact C-N 3.35Å
922	G	87.3	Confident	92.6	Very high	56 Å²	56	29 Å²	29	58%	0.577	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	11.1	-176.7	0	0	0	0	0	115.3	I920 K962	I920-G922 PolarHBondContact O-N 2.99Å; G922-K962 WeakPolarHBondContact O-CE 3.38Å
923	V	92.8	Very high	92.4	Very high	1 Å²	1	29 Å²	29	1%	0.006	18%	0.179	C	C	.	.			trans	-121.6	84	174.4	-171.3	0	0	0	0	108.3	I920 S921 F925 M926 L958 L961 K962 I965	I920-V923 HydrophobicContact CB-CB 4.15Å; I920-V923 HydrophobicContact CB-CG2 3.97Å; I920-V923 HydrophobicContact CG2-CB 4.32Å; I920-V923 HydrophobicContact CG2-CG2 3.6Å; I920-V923 WeakPolarHBondContact O-CB 3.23Å; I920-V923 PolarHBondContact O-N 3.31Å; S921-V923 VanDerWaalsContact C-N 3.35Å; V923-F925 WeakPolarHBondContact CG1-O 3.31Å; V923-F925 PolarHBondContact O-N 3.11Å; V923-F925 VanDerWaalsContact O-N 3.16Å; V923-M926 HydrophobicContact CG1-CB 4.45Å; V923-L958 HydrophobicContact CG2-CD2 3.94Å; V923-L961 HydrophobicContact CG1-CD2 3.84Å; V923-L961 HydrophobicContact CG1-CG 4.23Å; V923-K962 HydrophobicContact CG2-CD 4.15Å; V923-K962 HydrophobicContact CG2-CG 3.84Å; V923-I965 HydrophobicContact CG1-CD1 4.04Å
924	P	93.4	Very high	92	Very high	46 Å²	46	36 Å²	36	30%	0.299	21%	0.209	S	C	.	.			trans	-74.3	-8.2	-169	29.5	-34.6	0	0	0	113.7	E916 S917 I965	E916-P924 CarbonylContact C-O 3.52Å; E916-P924 VanDerWaalsContact CA-O 3.25Å; E916-P924 WeakPolarHBondContact CA-O 3.27Å; E916-P924 WeakPolarHBondContact CG-O 3.49Å; S917-P924 PolarHBondContact N-O 3.49Å; S917-P924 CarbonylContact O-C 3.37Å; S917-P924 WeakPolarHBondContact O-CA 3.47Å; P924-I965 HydrophobicContact CG-CG2 3.72Å
925	F	96.4	Very high	91.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.6	174.6	-68.1	-88.4	0	0	0	109.6	V776 P777 A780 L914 V915 E916 V923 I965	V776-F925 HydrophobicContact CG1-CD1 3.98Å; V776-F925 HydrophobicContact CG1-CE1 4.12Å; P777-F925 HydrophobicContact CB-CD2 4.25Å; P777-F925 HydrophobicContact CB-CE2 4.15Å; P777-F925 HydrophobicContact CG-CD2 3.84Å; P777-F925 HydrophobicContact CG-CE2 4.22Å; P777-F925 HydrophobicContact CG-CG 4.2Å; A780-F925 HydrophobicContact CB-CE1 4.18Å; A780-F925 HydrophobicContact CB-CZ 3.62Å; L914-F925 HydrophobicContact CD1-CB 4.43Å; L914-F925 HydrophobicContact CG-CB 4.41Å; V915-F925 VanDerWaalsContact O-CA 3.28Å; V915-F925 WeakPolarHBondContact O-CA 3.38Å; E916-F925 HydrophobicContact CB-CD1 4.19Å; E916-F925 HydrophobicContact CB-CE1 3.78Å; E916-F925 HydrophobicContact CB-CZ 4.28Å; E916-F925 HydrophobicContact CG-CE1 4.31Å; E916-F925 HydrophobicContact CG-CZ 4.33Å; V923-F925 WeakPolarHBondContact CG1-O 3.31Å; V923-F925 PolarHBondContact O-N 3.11Å; V923-F925 VanDerWaalsContact O-N 3.16Å; F925-I965 HydrophobicContact CB-CD1 4Å; F925-I965 HydrophobicContact CB-CG1 4.28Å; F925-I965 HydrophobicContact CD2-CG2 4.08Å; F925-I965 WeakPolarHBondContact O-CD1 3.36Å
926	M	95.7	Very high	91.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	143.7	-179.7	-169	172.6	175.8	0	0	110.6	V915 I920 V923 T928 L943 L954 L961	V915-M926 PolarHBondContact N-O 3.15Å; V915-M926 PolarHBondContact O-N 2.87Å; V915-M926 VanDerWaalsContact O-N 3.1Å; I920-M926 HydrophobicContact CG1-SD 3.97Å; V923-M926 HydrophobicContact CG1-CB 4.45Å; M926-T928 HydrophobicContact CG-CG2 4.11Å; M926-T928 PolarHBondContact O-N 2.94Å; M926-T928 HydrophobicContact SD-CG2 4.31Å; M926-L943 HydrophobicContact CE-CD1 4.18Å; M926-L943 HydrophobicContact CE-CD2 3.59Å; M926-L943 HydrophobicContact CE-CG 4.16Å; M926-L954 HydrophobicContact CE-CD1 3.5Å; M926-L961 HydrophobicContact CG-CD2 4.3Å
927	A	96.7	Very high	91	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.2	172.4	0	0	0	0	0	107.9	T798 V825 G826 A913 L914	T798-A927 HydrophobicContact CG2-CB 4.01Å; V825-A927 CarbonylContact C-O 3.56Å; V825-A927 WeakPolarHBondContact CA-O 3.36Å; V825-A927 VanDerWaalsContact CB-O 3.29Å; V825-A927 WeakPolarHBondContact CB-O 3.26Å; G826-A927 PolarHBondContact N-O 3.43Å; G826-A927 PolarHBondContact O-N 3.23Å; A913-A927 WeakPolarHBondContact O-CA 3.5Å; L914-A927 HydrophobicContact CB-CB 4.38Å; L914-A927 HydrophobicContact CD1-CB 4.39Å
928	T	94.5	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.9	177.6	52	0	0	0	0	109.4	C912 A913 I919 M926 V930 N940 L943	C912-T928 WeakPolarHBondContact CA-O 3.22Å; A913-T928 PolarHBondContact N-O 2.74Å; A913-T928 PolarHBondContact O-N 3.07Å; I919-T928 HydrophobicContact CD1-CG2 3.67Å; M926-T928 HydrophobicContact CG-CG2 4.11Å; M926-T928 PolarHBondContact O-N 2.94Å; M926-T928 HydrophobicContact SD-CG2 4.31Å; T928-V930 PolarHBondContact O-N 3.32Å; T928-N940 PolarHBondContact OG1-ND2 2.94Å; T928-N940 PolarHBondContact OG1-OD1 3.41Å; T928-L943 HydrophobicContact CG2-CD2 4.42Å
929	P	92.9	Very high	91	Very high	17 Å²	17	43.4 Å²	43.4	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	127.2	167.8	-20.3	31.1	0	0	0	109.9	I910 E911 C941 G942	I910-P929 HydrophobicContact CG2-CB 3.87Å; E911-P929 CarbonylContact O-C 3.31Å; P929-C941 HydrophobicContact CB-CB 4.13Å; P929-C941 WeakPolarHBondContact O-CB 3.22Å; P929-C941 PolarHBondContact O-N 3.45Å; P929-G942 WeakPolarHBondContact CD-O 3.47Å
930	V	92.3	Very high	91.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.9	179.6	-69.2	0	0	0	0	110	I910 E911 A913 V915 T928 L932 L937 K939	I910-V930 VanDerWaalsContact CA-O 3.31Å; I910-V930 WeakPolarHBondContact CA-O 3.35Å; E911-V930 PolarHBondContact N-O 3.01Å; E911-V930 WeakPolarHBondContact O-CG2 3.31Å; E911-V930 PolarHBondContact O-N 2.92Å; A913-V930 HydrophobicContact CB-CG2 3.98Å; V915-V930 HydrophobicContact CG1-CG1 4.34Å; V915-V930 HydrophobicContact CG2-CG1 3.82Å; T928-V930 PolarHBondContact O-N 3.32Å; V930-L932 HydrophobicContact CG2-CD2 4.14Å; V930-L937 HydrophobicContact CB-CD1 3.42Å; V930-L937 VanDerWaalsContact CB-CD1 3.42Å; V930-L937 HydrophobicContact CG1-CD1 3.53Å; V930-L937 HydrophobicContact CG2-CD1 4.28Å; V930-K939 CarbonylContact C-O 3.56Å; V930-K939 WeakPolarHBondContact CA-O 3.24Å
931	M	91.1	Very high	91.2	Very high	49 Å²	49	43.3 Å²	43.3	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.6	171.7	-169.8	173.2	-77.1	0	0	109.3	I909 I910 E938 K939	I909-M931 CarbonylContact O-C 3.6Å; I909-M931 VanDerWaalsContact O-CA 3.26Å; I909-M931 WeakPolarHBondContact O-CA 3.28Å; I910-M931 HydrophobicContact CD1-CE 4.39Å; I910-M931 HydrophobicContact CG1-CE 4.41Å; M931-E938 PolarHBondContact O-N 3.27Å; M931-K939 HydrophobicContact CB-CB 3.97Å; M931-K939 PolarHBondContact N-O 3.34Å; M931-K939 PolarHBondContact O-N 2.96Å
932	L	90.9	Very high	91.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.1	177.3	-54.6	179.7	0	0	0	110.1	F795 L899 A902 I909 E911 V930 G936	F795-L932 HydrophobicContact CE1-CD2 3.78Å; F795-L932 HydrophobicContact CZ-CD2 3.97Å; L899-L932 HydrophobicContact CB-CD1 4.26Å; L899-L932 HydrophobicContact CD1-CD1 4.26Å; A902-L932 HydrophobicContact CB-CB 3.67Å; I909-L932 HydrophobicContact CB-CB 4.22Å; I909-L932 HydrophobicContact CG2-CB 4.03Å; I909-L932 HydrophobicContact CG2-CD1 3.96Å; I909-L932 HydrophobicContact CG2-CG 4.24Å; I909-L932 PolarHBondContact O-N 3.29Å; E911-L932 HydrophobicContact CB-CD1 4.46Å; V930-L932 HydrophobicContact CG2-CD2 4.14Å; L932-G936 CarbonylContact C-O 3.22Å; L932-G936 WeakPolarHBondContact CA-O 3.04Å
933	G	87.5	Confident	91.7	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	-168.7	176.1	0	0	0	0	0	112.3	A902 N935 G936	A902-G933 CarbonylContact O-C 3.59Å; G933-N935 PolarHBondContact O-N 2.82Å; G933-G936 PolarHBondContact N-O 3.25Å; G933-G936 PolarHBondContact O-N 3.18Å
934	K	85.9	Confident	91.6	Very high	146 Å²	146	39.8 Å²	39.8	64%	0.635	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	-174.4	-70.4	-174	178.9	-179.6	0	115.4	A902 L903 G905	A902-K934 PolarHBondContact O-N 3.42Å; L903-K934 VanDerWaalsContact CD2-O 3.28Å; L903-K934 WeakPolarHBondContact CD2-O 3.48Å; G905-K934 VanDerWaalsContact CA-CE 3.49Å
935	N	84.8	Confident	91.5	Very high	94 Å²	94	45.6 Å²	45.6	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	15.7	-177.7	-68.3	-51.7	0	0	0	113.2	G933	G933-N935 PolarHBondContact O-N 2.82Å
936	G	89.7	Confident	91.3	Very high	1 Å²	1	47 Å²	47	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.1	-123.2	-173	0	0	0	0	0	111.4	L932 G933 E938	L932-G936 CarbonylContact C-O 3.22Å; L932-G936 WeakPolarHBondContact CA-O 3.04Å; G933-G936 PolarHBondContact N-O 3.25Å; G933-G936 PolarHBondContact O-N 3.18Å; G936-E938 PolarHBondContact O-N 2.8Å
937	L	91.4	Very high	91.2	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.12	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	115.1	-177.5	178.4	63.7	0	0	0	109.8	R792 F795 V915 V930	R792-L937 HydrophobicContact CB-CB 4.08Å; R792-L937 HydrophobicContact CG-CB 4.44Å; R792-L937 WeakPolarHBondContact CG-O 3.35Å; R792-L937 PolarHBondContact O-N 3.18Å; F795-L937 HydrophobicContact CE1-CB 4.11Å; F795-L937 HydrophobicContact CZ-CB 3.88Å; V915-L937 HydrophobicContact CB-CD2 4.32Å; V915-L937 HydrophobicContact CG1-CD2 4.42Å; V915-L937 HydrophobicContact CG2-CD2 4.33Å; V930-L937 HydrophobicContact CB-CD1 3.42Å; V930-L937 VanDerWaalsContact CB-CD1 3.42Å; V930-L937 HydrophobicContact CG1-CD1 3.53Å; V930-L937 HydrophobicContact CG2-CD1 4.28Å
938	E	90.6	Very high	90.9	Very high	129 Å²	129	56.4 Å²	56.4	60%	0.603	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	-43.2	176.3	-174.1	168.5	-172.6	0	0	111.2	M931 G936	M931-E938 PolarHBondContact O-N 3.27Å; G936-E938 PolarHBondContact O-N 2.8Å
939	K	91.3	Very high	90.9	Very high	129 Å²	129	59.9 Å²	59.9	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	130.9	179.9	-175.7	178.8	179.4	-179.9	0	111.4	V930 M931	V930-K939 CarbonylContact C-O 3.56Å; V930-K939 WeakPolarHBondContact CA-O 3.24Å; M931-K939 HydrophobicContact CB-CB 3.97Å; M931-K939 PolarHBondContact N-O 3.34Å; M931-K939 PolarHBondContact O-N 2.96Å
940	N	91.7	Very high	91	Very high	41 Å²	41	59 Å²	59	22%	0.219	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.9	163	-167.6	-25	0	0	0	108.6	I919 T928 G942	I919-N940 WeakPolarHBondContact CD1-OD1 3.43Å; T928-N940 PolarHBondContact OG1-ND2 2.94Å; T928-N940 PolarHBondContact OG1-OD1 3.41Å; N940-G942 PolarHBondContact O-N 2.91Å; N940-G942 PolarHBondContact OD1-N 2.86Å
941	C	92.5	Very high	91.1	Very high	54 Å²	54	63.8 Å²	63.8	37%	0.365	33%	0.326	S	S	.	.			trans	-78.9	-5	-173.6	-58.7	0	0	0	0	113.5	P929	P929-C941 HydrophobicContact CB-CB 4.13Å; P929-C941 WeakPolarHBondContact O-CB 3.22Å; P929-C941 PolarHBondContact O-N 3.45Å
942	G	91.8	Very high	91.3	Very high	17 Å²	17	62.8 Å²	62.8	18%	0.175	33%	0.328	C	S	.	.			trans	87.1	-175.7	180	0	0	0	0	0	113.3	I919 P929 N940	I919-G942 VanDerWaalsContact CD1-CA 3.49Å; P929-G942 WeakPolarHBondContact CD-O 3.47Å; N940-G942 PolarHBondContact O-N 2.91Å; N940-G942 PolarHBondContact OD1-N 2.86Å
943	L	92.1	Very high	91.5	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.246	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-75.3	132.9	166.5	-80.8	170.1	0	0	0	109.7	V825 I919 I920 M926 T928 L954	V825-L943 HydrophobicContact CB-CD2 4Å; V825-L943 HydrophobicContact CG1-CD2 4.21Å; V825-L943 HydrophobicContact CG2-CD2 3.79Å; I919-L943 HydrophobicContact CG2-CD1 4.18Å; I919-L943 HydrophobicContact CG2-CG 4.13Å; I920-L943 HydrophobicContact CD1-CD1 3.89Å; I920-L943 HydrophobicContact CG1-CD1 4.23Å; M926-L943 HydrophobicContact CE-CD1 4.18Å; M926-L943 HydrophobicContact CE-CD2 3.59Å; M926-L943 HydrophobicContact CE-CG 4.16Å; T928-L943 HydrophobicContact CG2-CD2 4.42Å; L943-L954 HydrophobicContact CD1-CD2 3.59Å; L943-L954 HydrophobicContact CD2-CD2 4.33Å
944	P	91.1	Very high	91.9	Very high	31 Å²	31	64.6 Å²	64.6	20%	0.201	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-68.7	166.7	169.3	35.2	-37.6	0	0	0	110	V825 V836 N839 L946	V825-P944 HydrophobicContact CG1-CG 4.44Å; V836-P944 HydrophobicContact CB-CG 4.46Å; V836-P944 HydrophobicContact CG1-CG 4.11Å; V836-P944 HydrophobicContact CG2-CG 4.23Å; N839-P944 WeakPolarHBondContact ND2-CB 3.04Å; P944-L946 HydrophobicContact CG-CD2 4.33Å; P944-L946 WeakPolarHBondContact O-CG 3.48Å; P944-L946 PolarHBondContact O-N 3.38Å
945	Q	90	Very high	92.3	Very high	169 Å²	169	63.5 Å²	63.5	79%	0.79	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-63.4	121	179.5	-172.7	177.3	9.4	0	0	110.1	S838 N839	S838-Q945 PolarHBondContact OG-O 3.15Å; N839-Q945 PolarHBondContact ND2-O 3.27Å
946	L	92.8	Very high	92.8	Very high	32 Å²	32	63.2 Å²	63.2	17%	0.168	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-99.8	141.7	-178.5	-54.5	-177.1	0	0	0	110.3	V836 P944 E950 Q951 L954	V836-L946 HydrophobicContact CB-CD2 4.37Å; V836-L946 HydrophobicContact CG1-CD2 3.57Å; V836-L946 HydrophobicContact CG2-CD2 3.81Å; P944-L946 HydrophobicContact CG-CD2 4.33Å; P944-L946 WeakPolarHBondContact O-CG 3.48Å; P944-L946 PolarHBondContact O-N 3.38Å; L946-E950 HydrophobicContact CB-CB 4.03Å; L946-E950 HydrophobicContact CD2-CB 4.21Å; L946-Q951 HydrophobicContact CB-CB 4.44Å; L946-L954 HydrophobicContact CD1-CB 4.26Å; L946-L954 HydrophobicContact CD1-CD2 3.65Å
947	N	92.7	Very high	93.1	Very high	70 Å²	70	63.2 Å²	63.2	37%	0.374	34%	0.335	S	S	.	.			trans	-81.3	174.1	165.9	69.2	31.6	0	0	0	111	F949 E950 Q951	N947-F949 VanDerWaalsContact C-N 3.26Å; N947-F949 PolarHBondContact O-N 2.92Å; N947-F949 WeakPolarHBondContact OD1-CB 3.35Å; N947-F949 PolarHBondContact OD1-N 3.03Å; N947-E950 VanDerWaalsContact CG-OE2 3.32Å; N947-E950 PolarHBondContact N-OE2 3.09Å; N947-E950 PolarHBondContact O-N 2.86Å; N947-E950 WeakPolarHBondContact OD1-CG 3.26Å; N947-E950 PolarHBondContact OD1-N 2.87Å; N947-E950 PolarHBondContact OD1-OE2 3.24Å; N947-Q951 WeakPolarHBondContact O-CB 3.42Å; N947-Q951 PolarHBondContact O-N 3.05Å
948	T	92.4	Very high	93.3	Very high	130 Å²	130	63.5 Å²	63.5	80%	0.798	34%	0.337	S	S	*	.	H	α-helix	trans	-56.9	-37	-178.3	-46.1	0	0	0	0	113.4	G952	T948-G952 PolarHBondContact O-N 3.1Å; T948-G952 VanDerWaalsContact O-N 3.12Å
949	F	93.2	Very high	93.4	Very high	73 Å²	73	61.4 Å²	61.4	32%	0.32	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-49.1	178.9	170.8	-107.2	0	0	0	111.2	A851 K852 N947 Q951 G952 L953	A851-F949 HydrophobicContact CB-CD1 4.34Å; A851-F949 HydrophobicContact CB-CE1 3.91Å; A851-F949 HydrophobicContact CB-CZ 4.36Å; K852-F949 HydrophobicContact CB-CZ 4.45Å; N947-F949 VanDerWaalsContact C-N 3.26Å; N947-F949 PolarHBondContact O-N 2.92Å; N947-F949 WeakPolarHBondContact OD1-CB 3.35Å; N947-F949 PolarHBondContact OD1-N 3.03Å; F949-Q951 VanDerWaalsContact C-N 3.32Å; F949-Q951 PolarHBondContact O-N 3.44Å; F949-G952 PolarHBondContact O-N 3.12Å; F949-L953 HydrophobicContact CD1-CD1 4.19Å; F949-L953 HydrophobicContact CE1-CD1 3.64Å; F949-L953 HydrophobicContact CE1-CG 4.33Å; F949-L953 HydrophobicContact CZ-CD1 3.87Å; F949-L953 HydrophobicContact CZ-CD2 4.31Å; F949-L953 HydrophobicContact CZ-CG 4.23Å; F949-L953 WeakPolarHBondContact O-CG 3.49Å; F949-L953 PolarHBondContact O-N 2.88Å
950	E	95.2	Very high	93.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-34.6	179.3	-67	160.5	165	0	0	112.1	V836 F837 S838 L946 N947 L953 L954	V836-E950 VanDerWaalsContact C-OE1 3.31Å; V836-E950 WeakPolarHBondContact CA-OE1 3.39Å; F837-E950 PolarHBondContact N-OE1 2.89Å; S838-E950 WeakPolarHBondContact CB-OE1 3.47Å; S838-E950 WeakPolarHBondContact CB-OE2 3.42Å; S838-E950 PolarHBondContact N-OE1 2.82Å; S838-E950 VanDerWaalsContact OG-CD 3.23Å; S838-E950 PolarHBondContact OG-OE1 3.33Å; S838-E950 VanDerWaalsContact OG-OE1 3.06Å; S838-E950 PolarHBondContact OG-OE2 3.4Å; L946-E950 HydrophobicContact CB-CB 4.03Å; L946-E950 HydrophobicContact CD2-CB 4.21Å; N947-E950 VanDerWaalsContact CG-OE2 3.32Å; N947-E950 PolarHBondContact N-OE2 3.09Å; N947-E950 PolarHBondContact O-N 2.86Å; N947-E950 WeakPolarHBondContact OD1-CG 3.26Å; N947-E950 PolarHBondContact OD1-N 2.87Å; N947-E950 PolarHBondContact OD1-OE2 3.24Å; E950-L953 WeakPolarHBondContact O-CB 3.4Å; E950-L953 PolarHBondContact O-N 2.93Å; E950-L954 PolarHBondContact O-N 3.45Å
951	Q	95.1	Very high	93.7	Very high	100 Å²	100	56.4 Å²	56.4	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-41.1	174.2	-169.3	153.9	1.6	0	0	111.5	L946 N947 F949 L953 L954 E955	L946-Q951 HydrophobicContact CB-CB 4.44Å; N947-Q951 WeakPolarHBondContact O-CB 3.42Å; N947-Q951 PolarHBondContact O-N 3.05Å; F949-Q951 VanDerWaalsContact C-N 3.32Å; F949-Q951 PolarHBondContact O-N 3.44Å; Q951-L953 PolarHBondContact O-N 2.77Å; Q951-L954 PolarHBondContact O-N 2.87Å; Q951-E955 WeakPolarHBondContact O-CG 3.43Å; Q951-E955 PolarHBondContact O-N 2.94Å
952	G	94.7	Very high	93.8	Very high	28 Å²	28	57.2 Å²	57.2	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-36.9	171.9	0	0	0	0	0	113.5	T948 F949 T956	T948-G952 PolarHBondContact O-N 3.1Å; T948-G952 VanDerWaalsContact O-N 3.12Å; F949-G952 PolarHBondContact O-N 3.12Å; G952-T956 PolarHBondContact O-N 3.41Å; G952-T956 VanDerWaalsContact O-N 3.1Å; G952-T956 PolarHBondContact O-OG1 2.92Å
953	L	95.7	Very high	93.8	Very high	30 Å²	30	63.8 Å²	63.8	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-44.8	172	-67.6	179	0	0	0	111.2	V834 T855 F949 E950 Q951 T956 A957	V834-L953 HydrophobicContact CG1-CB 3.85Å; V834-L953 HydrophobicContact CG1-CD1 4.38Å; V834-L953 HydrophobicContact CG2-CB 4.35Å; T855-L953 HydrophobicContact CG2-CD1 3.78Å; T855-L953 HydrophobicContact CG2-CD2 4.07Å; F949-L953 HydrophobicContact CD1-CD1 4.19Å; F949-L953 HydrophobicContact CE1-CD1 3.64Å; F949-L953 HydrophobicContact CE1-CG 4.33Å; F949-L953 HydrophobicContact CZ-CD1 3.87Å; F949-L953 HydrophobicContact CZ-CD2 4.31Å; F949-L953 HydrophobicContact CZ-CG 4.23Å; F949-L953 WeakPolarHBondContact O-CG 3.49Å; F949-L953 PolarHBondContact O-N 2.88Å; E950-L953 WeakPolarHBondContact O-CB 3.4Å; E950-L953 PolarHBondContact O-N 2.93Å; Q951-L953 PolarHBondContact O-N 2.77Å; L953-T956 WeakPolarHBondContact O-CB 3.26Å; L953-T956 PolarHBondContact O-N 3.34Å; L953-A957 WeakPolarHBondContact O-CB 3.4Å; L953-A957 PolarHBondContact O-N 3.45Å
954	L	95.4	Very high	93.8	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-45.6	177.9	-178.7	61.6	0	0	0	111.5	M926 L943 L946 E950 Q951 T956 A957 L958	M926-L954 HydrophobicContact CE-CD1 3.5Å; L943-L954 HydrophobicContact CD1-CD2 3.59Å; L943-L954 HydrophobicContact CD2-CD2 4.33Å; L946-L954 HydrophobicContact CD1-CB 4.26Å; L946-L954 HydrophobicContact CD1-CD2 3.65Å; E950-L954 PolarHBondContact O-N 3.45Å; Q951-L954 PolarHBondContact O-N 2.87Å; L954-T956 PolarHBondContact O-N 3.37Å; L954-A957 WeakPolarHBondContact O-CB 3.39Å; L954-A957 PolarHBondContact O-N 3.02Å; L954-L958 HydrophobicContact CD1-CD2 4.05Å; L954-L958 HydrophobicContact CD1-CG 4.03Å; L954-L958 HydrophobicContact CG-CD1 4.21Å; L954-L958 HydrophobicContact CG-CG 4.18Å; L954-L958 VanDerWaalsContact O-CG 3.25Å; L954-L958 WeakPolarHBondContact O-CG 3.44Å; L954-L958 PolarHBondContact O-N 3.38Å
955	E	95	Very high	93.9	Very high	124 Å²	124	61.5 Å²	61.5	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-57.5	-35.8	175.8	-74.8	174.3	-172.3	0	0	112.4	Q951 P959	Q951-E955 WeakPolarHBondContact O-CG 3.43Å; Q951-E955 PolarHBondContact O-N 2.94Å; E955-P959 WeakPolarHBondContact O-CD 3.32Å
956	T	93.9	Very high	94	Very high	88 Å²	88	58.3 Å²	58.3	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-72.2	-37.7	174.6	-54.7	0	0	0	0	112.2	G952 L953 L954	G952-T956 PolarHBondContact O-N 3.41Å; G952-T956 VanDerWaalsContact O-N 3.1Å; G952-T956 PolarHBondContact O-OG1 2.92Å; L953-T956 WeakPolarHBondContact O-CB 3.26Å; L953-T956 PolarHBondContact O-N 3.34Å; L954-T956 PolarHBondContact O-N 3.37Å
957	A	95.6	Very high	93.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-40	-179.5	0	0	0	0	0	113.2	V831 V834 L953 L954 E960 L961	V831-A957 WeakPolarHBondContact O-CB 3.5Å; V834-A957 HydrophobicContact CG2-CB 3.75Å; L953-A957 WeakPolarHBondContact O-CB 3.4Å; L953-A957 PolarHBondContact O-N 3.45Å; L954-A957 WeakPolarHBondContact O-CB 3.39Å; L954-A957 PolarHBondContact O-N 3.02Å; A957-E960 PolarHBondContact O-N 3.35Å; A957-L961 WeakPolarHBondContact O-CB 3.34Å; A957-L961 PolarHBondContact O-N 3.2Å
958	L	95.5	Very high	93.4	Very high	29 Å²	29	57.1 Å²	57.1	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-45.8	-168.5	-75.1	176.3	0	0	0	114.4	I920 V923 L954 E960 L961 K962	I920-L958 HydrophobicContact CG2-CD1 4.15Å; I920-L958 HydrophobicContact CG2-CD2 4.21Å; V923-L958 HydrophobicContact CG2-CD2 3.94Å; L954-L958 HydrophobicContact CD1-CD2 4.05Å; L954-L958 HydrophobicContact CD1-CG 4.03Å; L954-L958 HydrophobicContact CG-CD1 4.21Å; L954-L958 HydrophobicContact CG-CG 4.18Å; L954-L958 VanDerWaalsContact O-CG 3.25Å; L954-L958 WeakPolarHBondContact O-CG 3.44Å; L954-L958 PolarHBondContact O-N 3.38Å; L958-E960 PolarHBondContact O-N 3.36Å; L958-L961 PolarHBondContact O-N 3.02Å; L958-K962 WeakPolarHBondContact O-CB 3.28Å; L958-K962 WeakPolarHBondContact O-CG 3.37Å; L958-K962 PolarHBondContact O-N 2.66Å
959	P	94.3	Very high	93	Very high	86 Å²	86	53.1 Å²	53.1	56%	0.558	27%	0.265	S	S	*	.	H	α-helix	trans	-61.4	-41.4	177.3	-24.8	34.7	0	0	0	113.4	E955 K963	E955-P959 WeakPolarHBondContact O-CD 3.32Å; P959-K963 WeakPolarHBondContact O-CB 3.46Å; P959-K963 PolarHBondContact O-N 3.25Å
960	E	93.2	Very high	92.3	Very high	64 Å²	64	56.2 Å²	56.2	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-70.6	-38.9	179.1	-174.7	159.6	175.4	0	0	111.4	V831 T832 A957 L958 K963 N964	V831-E960 HydrophobicContact CG2-CB 4.31Å; V831-E960 WeakPolarHBondContact CG2-OE2 3.48Å; T832-E960 HydrophobicContact CG2-CB 4.06Å; T832-E960 HydrophobicContact CG2-CG 4Å; A957-E960 PolarHBondContact O-N 3.35Å; L958-E960 PolarHBondContact O-N 3.36Å; E960-K963 PolarHBondContact O-N 3.03Å; E960-N964 PolarHBondContact O-N 2.85Å; E960-N964 PolarHBondContact O-ND2 3.32Å; E960-N964 VanDerWaalsContact O-ND2 3.09Å
961	L	95.3	Very high	91.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-48.7	173.6	-177.9	58	0	0	0	111.6	N773 G826 T832 V923 M926 A957 L958 K963 N964 I965	N773-L961 HydrophobicContact CB-CD1 4.19Å; G826-L961 WeakPolarHBondContact O-CD2 3.41Å; T832-L961 HydrophobicContact CG2-CB 4.15Å; V923-L961 HydrophobicContact CG1-CD2 3.84Å; V923-L961 HydrophobicContact CG1-CG 4.23Å; M926-L961 HydrophobicContact CG-CD2 4.3Å; A957-L961 WeakPolarHBondContact O-CB 3.34Å; A957-L961 PolarHBondContact O-N 3.2Å; L958-L961 PolarHBondContact O-N 3.02Å; L961-K963 VanDerWaalsContact C-N 3.32Å; L961-K963 PolarHBondContact O-N 3.2Å; L961-N964 PolarHBondContact O-N 3.19Å; L961-N964 VanDerWaalsContact O-N 3.14Å; L961-I965 HydrophobicContact CD1-CD1 3.97Å; L961-I965 HydrophobicContact CD1-CG1 4.28Å; L961-I965 HydrophobicContact CG-CD1 3.81Å; L961-I965 VanDerWaalsContact O-CG1 3.29Å; L961-I965 WeakPolarHBondContact O-CG1 3.5Å; L961-I965 PolarHBondContact O-N 3.1Å
962	K	94.5	Very high	89.4	Confident	71 Å²	71	55.3 Å²	55.3	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-55.3	-47.4	175.5	-76.2	-178.5	178.7	-174.1	0	111.6	G922 V923 L958 N964 I965 E966	G922-K962 WeakPolarHBondContact O-CE 3.38Å; V923-K962 HydrophobicContact CG2-CD 4.15Å; V923-K962 HydrophobicContact CG2-CG 3.84Å; L958-K962 WeakPolarHBondContact O-CB 3.28Å; L958-K962 WeakPolarHBondContact O-CG 3.37Å; L958-K962 PolarHBondContact O-N 2.66Å; K962-N964 VanDerWaalsContact C-N 3.33Å; K962-N964 PolarHBondContact O-N 2.98Å; K962-I965 PolarHBondContact O-N 2.87Å; K962-E966 WeakPolarHBondContact O-CG 3.4Å; K962-E966 PolarHBondContact O-N 2.76Å
963	K	92.2	Very high	87.4	Confident	155 Å²	155	60.9 Å²	60.9	67%	0.674	30%	0.297	S	S	*	.	H	α-helix	trans	-58.4	-43.5	177.3	-176.8	-178.5	178.3	-178.8	0	112.4	P959 E960 L961 R967	P959-K963 WeakPolarHBondContact O-CB 3.46Å; P959-K963 PolarHBondContact O-N 3.25Å; E960-K963 PolarHBondContact O-N 3.03Å; L961-K963 VanDerWaalsContact C-N 3.32Å; L961-K963 PolarHBondContact O-N 3.2Å; K963-R967 WeakPolarHBondContact O-CB 3.45Å; K963-R967 PolarHBondContact O-N 3.33Å; K963-R967 VanDerWaalsContact O-N 3.08Å
964	N	92.5	Very high	85.5	Confident	28 Å²	28	65.8 Å²	65.8	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-38.9	178.7	-70	-30.2	0	0	0	112.2	N773 S774 E960 L961 K962 G968	N773-N964 HydrophobicContact CB-CB 3.8Å; S774-N964 WeakPolarHBondContact CB-O 3.45Å; S774-N964 PolarHBondContact OG-O 3.33Å; E960-N964 PolarHBondContact O-N 2.85Å; E960-N964 PolarHBondContact O-ND2 3.32Å; E960-N964 VanDerWaalsContact O-ND2 3.09Å; L961-N964 PolarHBondContact O-N 3.19Å; L961-N964 VanDerWaalsContact O-N 3.14Å; K962-N964 VanDerWaalsContact C-N 3.33Å; K962-N964 PolarHBondContact O-N 2.98Å; N964-G968 PolarHBondContact O-N 2.72Å; N964-G968 VanDerWaalsContact O-N 3.15Å
965	I	93.5	Very high	83.3	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-51.7	178	-67.9	163.6	0	0	0	110.6	P777 V923 P924 F925 L961 K962 R967 G968 L969	P777-I965 HydrophobicContact CG-CB 4.42Å; P777-I965 HydrophobicContact CG-CG1 4.27Å; P777-I965 HydrophobicContact CG-CG2 4.17Å; V923-I965 HydrophobicContact CG1-CD1 4.04Å; P924-I965 HydrophobicContact CG-CG2 3.72Å; F925-I965 HydrophobicContact CB-CD1 4Å; F925-I965 HydrophobicContact CB-CG1 4.28Å; F925-I965 HydrophobicContact CD2-CG2 4.08Å; F925-I965 WeakPolarHBondContact O-CD1 3.36Å; L961-I965 HydrophobicContact CD1-CD1 3.97Å; L961-I965 HydrophobicContact CD1-CG1 4.28Å; L961-I965 HydrophobicContact CG-CD1 3.81Å; L961-I965 VanDerWaalsContact O-CG1 3.29Å; L961-I965 WeakPolarHBondContact O-CG1 3.5Å; L961-I965 PolarHBondContact O-N 3.1Å; K962-I965 PolarHBondContact O-N 2.87Å; I965-R967 PolarHBondContact O-N 2.78Å; I965-G968 WeakPolarHBondContact O-CA 3.32Å; I965-G968 PolarHBondContact O-N 2.76Å; I965-L969 HydrophobicContact CG2-CD1 3.83Å; I965-L969 HydrophobicContact CG2-CG 4.2Å; I965-L969 WeakPolarHBondContact O-CG 3.46Å; I965-L969 PolarHBondContact O-N 3.03Å
966	E	91	Very high	81.5	Confident	103 Å²	103	63.3 Å²	63.3	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-56.1	-38.3	178.1	-75.7	179	-166.6	0	0	111.8	K962 L969 K970	K962-E966 WeakPolarHBondContact O-CG 3.4Å; K962-E966 PolarHBondContact O-N 2.76Å; E966-L969 PolarHBondContact O-N 3.13Å; E966-K970 WeakPolarHBondContact O-CB 3.47Å; E966-K970 VanDerWaalsContact O-CG 3.31Å; E966-K970 WeakPolarHBondContact O-CG 3.41Å; E966-K970 PolarHBondContact O-N 2.79Å
967	R	86.4	Confident	79.5	Confident	77 Å²	77	61.7 Å²	61.7	29%	0.291	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-47.5	174.8	-173.7	-176.5	-178.5	155.4	8.6	111.7	D739 F742 K963 I965 K970 E971	D739-R967 VanDerWaalsContact CG-NH2 3.32Å; D739-R967 IonicContact OD1-CZ 3.54Å; D739-R967 IonicContact OD1-NH1 3.3Å; D739-R967 PolarHBondContact OD1-NH1 2.89Å; D739-R967 IonicContact OD1-NH2 3.43Å; D739-R967 PolarHBondContact OD1-NH2 3.21Å; F742-R967 HydrophobicContact CD1-CG 4.47Å; F742-R967 VanDerWaalsContact CD1-CZ 3.46Å; F742-R967 HydrophobicContact CE1-CG 3.85Å; F742-R967 HydrophobicContact CE2-CG 4.35Å; F742-R967 HydrophobicContact CZ-CG 3.78Å; K963-R967 WeakPolarHBondContact O-CB 3.45Å; K963-R967 PolarHBondContact O-N 3.33Å; K963-R967 VanDerWaalsContact O-N 3.08Å; I965-R967 PolarHBondContact O-N 2.78Å; R967-K970 PolarHBondContact O-N 3.27Å; R967-E971 PolarHBondContact O-N 3.49Å; R967-E971 VanDerWaalsContact O-N 3.09Å
968	G	86.1	Confident	77.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-43.8	176.1	0	0	0	0	0	112.4	I778 N964 I965 S972	I778-G968 WeakPolarHBondContact CG1-O 3.47Å; N964-G968 PolarHBondContact O-N 2.72Å; N964-G968 VanDerWaalsContact O-N 3.15Å; I965-G968 WeakPolarHBondContact O-CA 3.32Å; I965-G968 PolarHBondContact O-N 2.76Å; G968-S972 PolarHBondContact O-N 3.36Å
969	L	85.9	Confident	75.7	Confident	45 Å²	45	69.3 Å²	69.3	24%	0.236	36%	0.359	C	S	.	.	H	α-helix	trans	-63.8	-42.4	178	-66.5	176.7	0	0	0	112.4	P777 Q781 I965 E966 S972	P777-L969 HydrophobicContact CB-CD2 4Å; P777-L969 HydrophobicContact CB-CG 4.17Å; Q781-L969 HydrophobicContact CG-CD2 3.56Å; I965-L969 HydrophobicContact CG2-CD1 3.83Å; I965-L969 HydrophobicContact CG2-CG 4.2Å; I965-L969 WeakPolarHBondContact O-CG 3.46Å; I965-L969 PolarHBondContact O-N 3.03Å; E966-L969 PolarHBondContact O-N 3.13Å; L969-S972 PolarHBondContact O-OG 2.86Å
970	K	78.3	Confident	73.9	Confident	138 Å²	138	69.6 Å²	69.6	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-66.8	-45.3	178.8	-76.8	173.7	-179.3	169.7	0	112.8	E966 R967 S972 M973	E966-K970 WeakPolarHBondContact O-CB 3.47Å; E966-K970 VanDerWaalsContact O-CG 3.31Å; E966-K970 WeakPolarHBondContact O-CG 3.41Å; E966-K970 PolarHBondContact O-N 2.79Å; R967-K970 PolarHBondContact O-N 3.27Å; K970-S972 PolarHBondContact O-N 3.15Å; K970-M973 PolarHBondContact O-N 3.31Å
971	E	69.8	Low	72.3	Confident	64 Å²	64	70.9 Å²	70.9	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-68.7	-23.2	-176.1	-157.8	65.9	-165.6	0	0	112.4	F742 R967 M973 H974	F742-E971 HydrophobicContact CE1-CB 4.08Å; F742-E971 HydrophobicContact CE1-CG 3.95Å; F742-E971 HydrophobicContact CZ-CB 3.95Å; F742-E971 HydrophobicContact CZ-CG 4.22Å; R967-E971 PolarHBondContact O-N 3.49Å; R967-E971 VanDerWaalsContact O-N 3.09Å; E971-M973 PolarHBondContact O-N 3.18Å; E971-M973 VanDerWaalsContact O-N 3.08Å; E971-H974 PolarHBondContact O-N 2.75Å; E971-H974 VanDerWaalsContact O-N 3.15Å
972	S	58.3	Low	70.4	Confident	18 Å²	18	74.2 Å²	74.2	13%	0.126	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.2	175.1	76.8	0	0	0	0	113.6	Q781 G968 L969 K970	Q781-S972 WeakPolarHBondContact CB-OG 3.27Å; G968-S972 PolarHBondContact O-N 3.36Å; L969-S972 PolarHBondContact O-OG 2.86Å; K970-S972 PolarHBondContact O-N 3.15Å
973	M	54.2	Low	68.5	Low	144 Å²	144	73.7 Å²	73.7	71%	0.709	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.4	-179.7	-60.9	-159.8	-138.4	0	0	114.4	K970 E971	K970-M973 PolarHBondContact O-N 3.31Å; E971-M973 PolarHBondContact O-N 3.18Å; E971-M973 VanDerWaalsContact O-N 3.08Å
974	H	54	Low	66.8	Low	133 Å²	133	67.3 Å²	67.3	62%	0.616	35%	0.347	S	S	*	.			trans	-119.7	106.9	-173.5	-69.8	79.9	0	0	0	111.1	R750 E971	R750-H974 PolarHBondContact NH1-O 2.88Å; E971-H974 PolarHBondContact O-N 2.75Å; E971-H974 VanDerWaalsContact O-N 3.15Å
975	G	50.9	Low	65.1	Low	56 Å²	56	74.6 Å²	74.6	58%	0.577	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-64.7	134.5	165.3	0	0	0	0	0	109.9	S977	G975-S977 PolarHBondContact O-N 2.9Å
976	M	55.5	Low	63.3	Low	29 Å²	29	75 Å²	75	14%	0.143	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-62.9	123.8	167.9	-110.4	-173.2	-76.7	0	0	108	N743 Q980 Q984	N743-M976 HydrophobicContact CB-CE 4.3Å; N743-M976 WeakPolarHBondContact O-CE 3.36Å; M976-Q980 HydrophobicContact CB-CB 4.26Å; M976-Q980 HydrophobicContact CG-CB 3.75Å; M976-Q980 HydrophobicContact SD-CB 4.26Å; M976-Q984 PolarHBondContact SD-OE1 2.91Å; M976-Q984 VanDerWaalsContact SD-OE1 3.4Å
977	S	53.7	Low	61.5	Low	54 Å²	54	71.9 Å²	71.9	38%	0.378	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-60.2	154.4	173.2	73.1	0	0	0	0	109.7	G975 F979 Q980 R981	G975-S977 PolarHBondContact O-N 2.9Å; S977-F979 PolarHBondContact O-N 3.38Å; S977-F979 VanDerWaalsContact O-N 3.1Å; S977-Q980 PolarHBondContact O-N 3.16Å; S977-Q980 WeakPolarHBondContact OG-CG 2.95Å; S977-Q980 PolarHBondContact OG-N 2.94Å; S977-R981 PolarHBondContact O-N 2.79Å
978	S	54.8	Low	60.2	Low	101 Å²	101	70.8 Å²	70.8	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-50.3	-37	174.8	49.8	0	0	0	0	111.7	R981 V982	S978-R981 PolarHBondContact O-N 3.29Å; S978-V982 WeakPolarHBondContact O-CG2 3.28Å; S978-V982 PolarHBondContact O-N 3.19Å; S978-V982 VanDerWaalsContact O-N 3.1Å
979	F	56.3	Low	59.1	Low	88 Å²	88	74.4 Å²	74.4	39%	0.386	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-45.4	174.9	-176.5	-101.5	0	0	0	113.7	S977 R981 V982 Q983	S977-F979 PolarHBondContact O-N 3.38Å; S977-F979 VanDerWaalsContact O-N 3.1Å; F979-R981 VanDerWaalsContact C-N 3.29Å; F979-R981 PolarHBondContact O-N 2.86Å; F979-V982 PolarHBondContact O-N 2.86Å; F979-Q983 HydrophobicContact CD1-CG 4.33Å; F979-Q983 HydrophobicContact CE1-CG 3.92Å; F979-Q983 VanDerWaalsContact CE1-OE1 3.31Å; F979-Q983 HydrophobicContact CZ-CG 4.14Å; F979-Q983 PolarHBondContact O-N 3.15Å
980	Q	56.2	Low	58.6	Low	92 Å²	92	76 Å²	76	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-38.3	176.4	-73.5	171.5	-34.6	0	0	111.5	M976 S977 V982 Q983 Q984	M976-Q980 HydrophobicContact CB-CB 4.26Å; M976-Q980 HydrophobicContact CG-CB 3.75Å; M976-Q980 HydrophobicContact SD-CB 4.26Å; S977-Q980 PolarHBondContact O-N 3.16Å; S977-Q980 WeakPolarHBondContact OG-CG 2.95Å; S977-Q980 PolarHBondContact OG-N 2.94Å; Q980-V982 VanDerWaalsContact C-N 3.33Å; Q980-V982 PolarHBondContact O-N 2.8Å; Q980-Q983 PolarHBondContact O-N 2.92Å; Q980-Q984 VanDerWaalsContact O-CB 3.25Å; Q980-Q984 WeakPolarHBondContact O-CB 3.46Å; Q980-Q984 PolarHBondContact O-N 3.39Å
981	R	58.8	Low	58.8	Low	90 Å²	90	73.1 Å²	73.1	34%	0.34	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-41.9	176	-153.1	178.6	-69.3	-134.3	1.7	110.9	D751 S977 S978 F979 Q984 W985	D751-R981 IonicContact OD2-CZ 3.83Å; D751-R981 IonicContact OD2-NH1 2.74Å; D751-R981 PolarHBondContact OD2-NH1 3.24Å; D751-R981 IonicContact OD2-NH2 3.8Å; S977-R981 PolarHBondContact O-N 2.79Å; S978-R981 PolarHBondContact O-N 3.29Å; F979-R981 VanDerWaalsContact C-N 3.29Å; F979-R981 PolarHBondContact O-N 2.86Å; R981-Q984 PolarHBondContact O-N 3.05Å; R981-W985 PolarHBondContact O-N 3.45Å; R981-W985 VanDerWaalsContact O-N 3.08Å
982	V	55.6	Low	59.8	Low	70 Å²	70	72.4 Å²	72.4	42%	0.424	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-46.8	173.6	173.2	0	0	0	0	111.8	S978 F979 Q980 Q984 W985 L986 I1020	S978-V982 WeakPolarHBondContact O-CG2 3.28Å; S978-V982 PolarHBondContact O-N 3.19Å; S978-V982 VanDerWaalsContact O-N 3.1Å; F979-V982 PolarHBondContact O-N 2.86Å; Q980-V982 VanDerWaalsContact C-N 3.33Å; Q980-V982 PolarHBondContact O-N 2.8Å; V982-Q984 VanDerWaalsContact C-N 3.26Å; V982-Q984 PolarHBondContact O-N 3.46Å; V982-W985 PolarHBondContact O-N 3.09Å; V982-L986 HydrophobicContact CG1-CD1 3.92Å; V982-L986 HydrophobicContact CG1-CG 4.34Å; V982-L986 WeakPolarHBondContact O-CB 3.48Å; V982-L986 VanDerWaalsContact O-CG 3.25Å; V982-L986 WeakPolarHBondContact O-CG 3.42Å; V982-L986 PolarHBondContact O-N 3.09Å; V982-I1020 HydrophobicContact CG1-CG2 4.29Å
983	Q	54.1	Low	61.4	Low	60 Å²	60	72 Å²	72	28%	0.28	36%	0.363	S	S	.	.	H	α-helix	trans	-57.8	-41.3	177.1	-79.2	-173	-61.3	0	0	112.2	F979 Q980 L986 T987 A1025	F979-Q983 HydrophobicContact CD1-CG 4.33Å; F979-Q983 HydrophobicContact CE1-CG 3.92Å; F979-Q983 VanDerWaalsContact CE1-OE1 3.31Å; F979-Q983 HydrophobicContact CZ-CG 4.14Å; F979-Q983 PolarHBondContact O-N 3.15Å; Q980-Q983 PolarHBondContact O-N 2.92Å; Q983-L986 PolarHBondContact O-N 3.46Å; Q983-T987 PolarHBondContact O-N 3.45Å; Q983-T987 PolarHBondContact O-OG1 2.83Å; Q983-A1025 HydrophobicContact CG-CB 4.03Å
984	Q	56.8	Low	63.3	Low	22 Å²	22	66.1 Å²	66.1	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-48.1	178.9	176.5	176.9	58.3	0	0	111.2	V744 M976 Q980 R981 V982 L986 T987 Y988	V744-Q984 HydrophobicContact CG2-CG 4.25Å; M976-Q984 PolarHBondContact SD-OE1 2.91Å; M976-Q984 VanDerWaalsContact SD-OE1 3.4Å; Q980-Q984 VanDerWaalsContact O-CB 3.25Å; Q980-Q984 WeakPolarHBondContact O-CB 3.46Å; Q980-Q984 PolarHBondContact O-N 3.39Å; R981-Q984 PolarHBondContact O-N 3.05Å; V982-Q984 VanDerWaalsContact C-N 3.26Å; V982-Q984 PolarHBondContact O-N 3.46Å; Q984-L986 VanDerWaalsContact C-N 3.31Å; Q984-L986 PolarHBondContact O-N 3.49Å; Q984-T987 WeakPolarHBondContact O-CB 3.43Å; Q984-T987 PolarHBondContact O-N 2.89Å; Q984-T987 VanDerWaalsContact O-N 3.14Å; Q984-Y988 HydrophobicContact CB-CE2 4.4Å; Q984-Y988 HydrophobicContact CG-CD2 3.92Å; Q984-Y988 HydrophobicContact CG-CE2 3.09Å; Q984-Y988 WeakPolarHBondContact CG-OH 3.43Å; Q984-Y988 PolarHBondContact NE2-OH 3.35Å; Q984-Y988 WeakPolarHBondContact O-CD2 3.2Å; Q984-Y988 PolarHBondContact O-N 3.31Å; Q984-Y988 VanDerWaalsContact O-N 3.15Å
985	W	56.5	Low	65.2	Low	181 Å²	181	59.8 Å²	59.8	69%	0.686	31%	0.305	S	S	*	.	H	α-helix	trans	-59.7	-40.8	176.4	-78.9	36.8	0	0	0	112.6	R981 V982 T987 Y988 T989	R981-W985 PolarHBondContact O-N 3.45Å; R981-W985 VanDerWaalsContact O-N 3.08Å; V982-W985 PolarHBondContact O-N 3.09Å; W985-T987 VanDerWaalsContact C-N 3.29Å; W985-T987 PolarHBondContact O-N 2.78Å; W985-Y988 PolarHBondContact O-N 3.21Å; W985-T989 PolarHBondContact O-N 3Å; W985-T989 PolarHBondContact O-OG1 3.42Å
986	L	55.5	Low	67.2	Low	11 Å²	11	58.2 Å²	58.2	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-31.5	177.5	-71	175.9	0	0	0	113.3	V982 Q983 Q984 T989 K1018 I1020 A1025 C1027	V982-L986 HydrophobicContact CG1-CD1 3.92Å; V982-L986 HydrophobicContact CG1-CG 4.34Å; V982-L986 WeakPolarHBondContact O-CB 3.48Å; V982-L986 VanDerWaalsContact O-CG 3.25Å; V982-L986 WeakPolarHBondContact O-CG 3.42Å; V982-L986 PolarHBondContact O-N 3.09Å; Q983-L986 PolarHBondContact O-N 3.46Å; Q984-L986 VanDerWaalsContact C-N 3.31Å; Q984-L986 PolarHBondContact O-N 3.49Å; L986-T989 PolarHBondContact O-OG1 3.2Å; L986-K1018 PolarHBondContact O-NZ 2.97Å; L986-K1018 VanDerWaalsContact O-NZ 3.14Å; L986-I1020 HydrophobicContact CD1-CG2 4.24Å; L986-I1020 HydrophobicContact CD2-CB 3.87Å; L986-I1020 HydrophobicContact CD2-CG2 4Å; L986-I1020 WeakPolarHBondContact CD2-O 3.43Å; L986-A1025 HydrophobicContact CD1-CB 4.16Å; L986-C1027 HydrophobicContact CB-CB 3.7Å; L986-C1027 HydrophobicContact CD1-CB 4.25Å; L986-C1027 HydrophobicContact CG-CB 4.39Å
987	T	54.3	Low	69	Low	36 Å²	36	56.9 Å²	56.9	22%	0.221	28%	0.277	C	S	.	.	H	α-helix	trans	-72.7	-36.6	176.9	-57.1	0	0	0	0	111.3	Q983 Q984 W985 T989 R990	Q983-T987 PolarHBondContact O-N 3.45Å; Q983-T987 PolarHBondContact O-OG1 2.83Å; Q984-T987 WeakPolarHBondContact O-CB 3.43Å; Q984-T987 PolarHBondContact O-N 2.89Å; Q984-T987 VanDerWaalsContact O-N 3.14Å; W985-T987 VanDerWaalsContact C-N 3.29Å; W985-T987 PolarHBondContact O-N 2.78Å; T987-T989 VanDerWaalsContact C-N 3.3Å; T987-T989 PolarHBondContact O-N 3.48Å; T987-R990 WeakPolarHBondContact O-CB 3.41Å; T987-R990 WeakPolarHBondContact O-CG 3.36Å; T987-R990 PolarHBondContact O-N 3.29Å
988	Y	58	Low	70.7	Confident	54 Å²	54	58.1 Å²	58.1	21%	0.212	28%	0.275	C	S	.	.	H	α-helix	trans	-76.1	-14.9	180	-62.7	-41.4	0	0	0	115.5	M736 D740 V744 Q984 W985 R990	M736-Y988 HydrophobicContact CE-CD1 4.25Å; M736-Y988 HydrophobicContact CE-CE1 3.67Å; M736-Y988 HydrophobicContact CE-CE2 4.33Å; M736-Y988 HydrophobicContact CG-CD1 4.47Å; M736-Y988 HydrophobicContact CG-CE1 4.08Å; D740-Y988 WeakPolarHBondContact CA-OH 3.45Å; D740-Y988 HydrophobicContact CB-CE1 3.66Å; D740-Y988 VanDerWaalsContact CB-OH 3.28Å; D740-Y988 WeakPolarHBondContact CB-OH 3.39Å; D740-Y988 PolarHBondContact O-OH 3.18Å; D740-Y988 PolarHBondContact OD1-OH 3.28Å; V744-Y988 HydrophobicContact CG2-CD2 4.33Å; V744-Y988 HydrophobicContact CG2-CE2 3.25Å; V744-Y988 WeakPolarHBondContact CG2-OH 3.47Å; Q984-Y988 HydrophobicContact CB-CE2 4.4Å; Q984-Y988 HydrophobicContact CG-CD2 3.92Å; Q984-Y988 HydrophobicContact CG-CE2 3.09Å; Q984-Y988 WeakPolarHBondContact CG-OH 3.43Å; Q984-Y988 PolarHBondContact NE2-OH 3.35Å; Q984-Y988 WeakPolarHBondContact O-CD2 3.2Å; Q984-Y988 PolarHBondContact O-N 3.31Å; Q984-Y988 VanDerWaalsContact O-N 3.15Å; W985-Y988 PolarHBondContact O-N 3.21Å; Y988-R990 VanDerWaalsContact C-N 3.25Å
989	T	63.9	Low	72.3	Confident	77 Å²	77	58.9 Å²	58.9	47%	0.472	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	16.7	175.6	53.1	0	0	0	0	112.1	W985 L986 T987 Q991 K1018	W985-T989 PolarHBondContact O-N 3Å; W985-T989 PolarHBondContact O-OG1 3.42Å; L986-T989 PolarHBondContact O-OG1 3.2Å; T987-T989 VanDerWaalsContact C-N 3.3Å; T987-T989 PolarHBondContact O-N 3.48Å; T989-Q991 PolarHBondContact O-N 2.94Å; T989-K1018 WeakPolarHBondContact O-CE 3.47Å; T989-K1018 PolarHBondContact O-NZ 2.96Å
990	R	76.2	Confident	73.9	Confident	78 Å²	78	54.7 Å²	54.7	29%	0.294	25%	0.245	S	C	.	.			trans	-64.1	123.3	177.7	-79.6	178.7	-171.6	171.3	2.4	111.2	T987 Y988 D1026 G1028 D1029	T987-R990 WeakPolarHBondContact O-CB 3.41Å; T987-R990 WeakPolarHBondContact O-CG 3.36Å; T987-R990 PolarHBondContact O-N 3.29Å; Y988-R990 VanDerWaalsContact C-N 3.25Å; R990-D1026 IonicContact CZ-OD2 2.99Å; R990-D1026 PolarHBondContact NH2-O 3.25Å; R990-D1026 IonicContact NH2-OD1 3.55Å; R990-D1026 IonicContact NH2-OD2 3.29Å; R990-D1026 PolarHBondContact NH2-OD2 2.84Å; R990-G1028 WeakPolarHBondContact CG-O 3.3Å; R990-D1029 VanDerWaalsContact CA-OD1 3.31Å; R990-D1029 WeakPolarHBondContact CA-OD1 3.35Å
991	Q	82.3	Confident	75.5	Confident	78 Å²	78	52 Å²	52	36%	0.364	23%	0.233	S	C	.	.			trans	-106.5	156.9	179.6	-70.1	179.9	-24.7	0	0	110.6	T989 D1029 H1030 C1119 N1120	T989-Q991 PolarHBondContact O-N 2.94Å; Q991-D1029 PolarHBondContact N-OD1 3.1Å; Q991-D1029 VanDerWaalsContact O-CB 3.3Å; Q991-D1029 WeakPolarHBondContact O-CB 3.19Å; Q991-H1030 PolarHBondContact O-N 2.91Å; Q991-C1119 VanDerWaalsContact CB-SG 3.58Å; Q991-N1120 PolarHBondContact OE1-ND2 3.45Å
992	W	90.6	Very high	77.1	Confident	49 Å²	49	47.7 Å²	47.7	19%	0.186	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125	172	-71.1	66.7	0	0	0	108.8	H1030 I1032 H1103 L1114 N1117 C1119 N1120	W992-H1030 HydrophobicContact CB-CB 4.39Å; W992-H1030 HydrophobicContact CD2-CB 3.5Å; W992-H1030 VanDerWaalsContact CD2-CB 3.5Å; W992-H1030 AromaticContact CD2-CG 3.83Å; W992-H1030 AromaticContact CE2-CG 3.65Å; W992-H1030 AromaticContact CE2-ND1 3.7Å; W992-H1030 HydrophobicContact CE3-CB 3.67Å; W992-H1030 HydrophobicContact CG-CB 3.83Å; W992-H1030 AromaticContact CH2-CE1 3.94Å; W992-H1030 AromaticContact CH2-ND1 3.37Å; W992-H1030 WeakPolarHBondContact CH2-ND1 3.25Å; W992-H1030 HydrophobicContact CZ2-CB 4.39Å; W992-H1030 AromaticContact CZ2-CE1 3.66Å; W992-H1030 AromaticContact CZ2-CG 3.81Å; W992-H1030 AromaticContact CZ2-ND1 3.34Å; W992-H1030 VanDerWaalsContact CZ2-ND1 3.34Å; W992-H1030 WeakPolarHBondContact CZ2-ND1 3.34Å; W992-H1030 HydrophobicContact CZ3-CB 4.19Å; W992-H1030 AromaticContact CZ3-ND1 3.73Å; W992-I1032 HydrophobicContact CE3-CD1 3.75Å; W992-I1032 HydrophobicContact CE3-CG1 4.13Å; W992-I1032 HydrophobicContact CZ3-CD1 4.14Å; W992-I1032 HydrophobicContact CZ3-CG1 4.35Å; W992-H1103 AromaticContact CZ3-CD2 3.99Å; W992-H1103 AromaticContact CZ3-NE2 3.79Å; W992-L1114 HydrophobicContact CH2-CD2 4.36Å; W992-L1114 HydrophobicContact CZ3-CD2 3.98Å; W992-N1117 HydrophobicContact CB-CB 4.27Å; W992-N1117 VanDerWaalsContact CB-O 3.29Å; W992-N1117 WeakPolarHBondContact CB-O 3.32Å; W992-N1117 HydrophobicContact CD2-CB 3.54Å; W992-N1117 HydrophobicContact CE3-CB 4.05Å; W992-N1117 HydrophobicContact CG-CB 3.64Å; W992-N1117 HydrophobicContact CZ2-CB 4.29Å; W992-C1119 PolarHBondContact N-SG 2.87Å; W992-C1119 VanDerWaalsContact N-SG 3.37Å; W992-C1119 PolarHBondContact O-N 2.85Å; W992-N1120 PolarHBondContact O-N 2.86Å
993	H	92.3	Very high	78.7	Confident	10 Å²	10	46 Å²	46	5%	0.046	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.3	-173.4	-63.6	-87.5	0	0	0	110.2	V1012 D1029 H1030 V1031 I1032 N1120 L1122	H993-V1012 VanDerWaalsContact CD2-CG1 3.42Å; H993-V1012 WeakPolarHBondContact CD2-CG1 3.28Å; H993-D1029 IonicContact CD2-OD2 2.68Å; H993-D1029 IonicContact NE2-OD2 3.44Å; H993-D1029 PolarHBondContact NE2-OD2 3.34Å; H993-H1030 PolarHBondContact CD2-O 2.9Å; H993-H1030 PolarHBondContact N-O 3.41Å; H993-V1031 HydrophobicContact CB-CG2 4.38Å; H993-V1031 CarbonylContact O-C 3.15Å; H993-V1031 WeakPolarHBondContact O-CA 3.28Å; H993-I1032 PolarHBondContact O-N 3.42Å; H993-N1120 CarbonylContact C-O 3.49Å; H993-N1120 VanDerWaalsContact CA-O 3.28Å; H993-N1120 WeakPolarHBondContact CA-O 3.41Å; H993-N1120 WeakPolarHBondContact ND1-CB 3.37Å; H993-L1122 HydrophobicContact CB-CD1 3.69Å; H993-L1122 HydrophobicContact CB-CG 3.78Å
994	L	93.7	Very high	80.4	Confident	19 Å²	19	46.6 Å²	46.6	10%	0.099	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.6	174.1	-171.7	66.7	0	0	0	111.1	I1032 Y1034 I1110 V1118 N1120 Q1121 L1122	L994-I1032 CarbonylContact C-O 3.57Å; L994-I1032 HydrophobicContact CD1-CB 3.95Å; L994-I1032 HydrophobicContact CD1-CG2 3.8Å; L994-Y1034 HydrophobicContact CD1-CD1 3.71Å; L994-Y1034 HydrophobicContact CD1-CE1 3.94Å; L994-Y1034 HydrophobicContact CD2-CE1 4.06Å; L994-Y1034 HydrophobicContact CG-CD1 4.1Å; L994-Y1034 HydrophobicContact CG-CE1 3.8Å; L994-I1110 HydrophobicContact CD1-CD1 3.66Å; L994-I1110 HydrophobicContact CD2-CD1 4.02Å; L994-I1110 HydrophobicContact CG-CD1 4.45Å; L994-V1118 HydrophobicContact CB-CG1 3.76Å; L994-V1118 HydrophobicContact CB-CG2 4.32Å; L994-N1120 PolarHBondContact N-O 3.02Å; L994-Q1121 CarbonylContact O-C 3.57Å; L994-Q1121 WeakPolarHBondContact O-CA 3.43Å; L994-L1122 PolarHBondContact O-N 3.27Å
995	L	93.3	Very high	82.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	126.6	-177.6	-174.4	78.7	0	0	0	110.9	L1005 I1009 V1031 I1032 V1033 Y1034 L1122	L995-L1005 HydrophobicContact CD1-CD1 3.92Å; L995-L1005 HydrophobicContact CD2-CD1 3.54Å; L995-L1005 HydrophobicContact CD2-CD2 3.64Å; L995-L1005 HydrophobicContact CD2-CG 3.52Å; L995-L1005 HydrophobicContact CG-CD1 4Å; L995-L1005 HydrophobicContact CG-CD2 4.36Å; L995-L1005 HydrophobicContact CG-CG 4.42Å; L995-I1009 HydrophobicContact CD2-CD1 3.71Å; L995-I1009 HydrophobicContact CD2-CG1 3.71Å; L995-V1031 HydrophobicContact CB-CG1 4.4Å; L995-I1032 PolarHBondContact N-O 2.83Å; L995-V1033 HydrophobicContact CB-CG2 4.37Å; L995-V1033 HydrophobicContact CD2-CG1 4.24Å; L995-V1033 HydrophobicContact CD2-CG2 3.9Å; L995-V1033 VanDerWaalsContact O-CA 3.27Å; L995-V1033 WeakPolarHBondContact O-CA 3.47Å; L995-Y1034 WeakPolarHBondContact O-CD1 3.49Å; L995-Y1034 PolarHBondContact O-N 3.14Å; L995-L1122 HydrophobicContact CB-CB 4.4Å; L995-L1122 HydrophobicContact CD1-CB 3.51Å; L995-L1122 HydrophobicContact CD1-CD1 4.48Å
996	D	92.9	Very high	83.8	Confident	23 Å²	23	37 Å²	37	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.3	175.2	-176.3	5.2	0	0	0	110.3	K998 Q1000 Y1034 N1035 Q1124	D996-K998 VanDerWaalsContact C-N 3.31Å; D996-K998 WeakPolarHBondContact OD1-CB 3.36Å; D996-K998 PolarHBondContact OD1-N 3.32Å; D996-Q1000 WeakPolarHBondContact O-CG 3.37Å; D996-Y1034 HydrophobicContact CB-CD1 4.43Å; D996-Y1034 HydrophobicContact CB-CE1 3.66Å; D996-Y1034 HydrophobicContact CB-CE2 4.05Å; D996-Y1034 VanDerWaalsContact CB-CZ 3.46Å; D996-Y1034 WeakPolarHBondContact CB-OH 3.31Å; D996-N1035 WeakPolarHBondContact OD1-CB 3.49Å; D996-N1035 PolarHBondContact OD1-ND2 3.26Å; D996-Q1124 PolarHBondContact OD2-NE2 2.95Å
997	A	92.4	Very high	85.5	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.			trans	-86.4	0.1	179.2	0	0	0	0	0	113.8	W999 Q1000 L1005 V1033 Y1034 I1039	A997-W999 PolarHBondContact O-N 3.13Å; A997-Q1000 WeakPolarHBondContact O-CB 3.44Å; A997-Q1000 PolarHBondContact O-N 3.08Å; A997-L1005 HydrophobicContact CB-CD2 3.94Å; A997-V1033 HydrophobicContact CB-CG1 3.63Å; A997-Y1034 VanDerWaalsContact CB-O 3.31Å; A997-Y1034 WeakPolarHBondContact CB-O 3.43Å; A997-Y1034 PolarHBondContact N-O 3Å; A997-I1039 HydrophobicContact CB-CG2 3.9Å
998	K	90.4	Very high	87.3	Confident	80 Å²	80	44.2 Å²	44.2	35%	0.348	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	122.9	179	-169.4	175.4	179.2	176.8	0	111.1	D996 Q1000 N1035 H1038	D996-K998 VanDerWaalsContact C-N 3.31Å; D996-K998 WeakPolarHBondContact OD1-CB 3.36Å; D996-K998 PolarHBondContact OD1-N 3.32Å; K998-Q1000 PolarHBondContact O-N 3.11Å; K998-Q1000 PolarHBondContact O-NE2 2.86Å; K998-N1035 HydrophobicContact CB-CB 3.9Å; K998-H1038 HydrophobicContact CB-CB 4.23Å; K998-H1038 HydrophobicContact CG-CB 3.83Å
999	W	87.5	Confident	89	Confident	117 Å²	117	41.7 Å²	41.7	44%	0.443	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	23	-175.6	-56.5	107.6	0	0	0	115	A997 H1038 A1040 M1126	A997-W999 PolarHBondContact O-N 3.13Å; W999-H1038 WeakPolarHBondContact CA-O 3.33Å; W999-H1038 PolarHBondContact N-O 3.23Å; W999-A1040 HydrophobicContact CE3-CB 4.12Å; W999-M1126 WeakPolarHBondContact O-CE 3.35Å
1000	Q	90.5	Very high	90.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	17%	0.174	C	C	.	.			trans	-95.9	145.6	178.1	-57.8	-55.7	-64.7	0	0	111.5	D996 A997 K998 L1005 A1040 M1126	D996-Q1000 WeakPolarHBondContact O-CG 3.37Å; A997-Q1000 WeakPolarHBondContact O-CB 3.44Å; A997-Q1000 PolarHBondContact O-N 3.08Å; K998-Q1000 PolarHBondContact O-N 3.11Å; K998-Q1000 PolarHBondContact O-NE2 2.86Å; Q1000-L1005 HydrophobicContact CB-CD1 4.35Å; Q1000-L1005 HydrophobicContact CB-CD2 4.15Å; Q1000-L1005 HydrophobicContact CG-CD1 4.4Å; Q1000-A1040 PolarHBondContact O-N 3.01Å; Q1000-M1126 PolarHBondContact NE2-O 3.22Å; Q1000-M1126 PolarHBondContact OE1-O 3.22Å
1001	D	90.8	Very high	91	Very high	35 Å²	35	36.9 Å²	36.9	19%	0.187	18%	0.175	C	C	.	.			trans	-77	123.7	171	177.6	-62.2	0	0	0	108.3	A1003 L1004 L1005 A1040 M1126	D1001-A1003 VanDerWaalsContact C-N 3.33Å; D1001-A1003 PolarHBondContact O-N 2.68Å; D1001-A1003 WeakPolarHBondContact OD1-CA 3.33Å; D1001-A1003 WeakPolarHBondContact OD1-CB 3.5Å; D1001-A1003 PolarHBondContact OD1-N 3.47Å; D1001-L1004 HydrophobicContact CB-CB 4.16Å; D1001-L1004 HydrophobicContact CB-CD1 4Å; D1001-L1004 HydrophobicContact CB-CG 4.06Å; D1001-L1004 PolarHBondContact O-N 3.37Å; D1001-L1004 PolarHBondContact OD1-N 3.02Å; D1001-L1005 WeakPolarHBondContact O-CB 3.3Å; D1001-L1005 PolarHBondContact O-N 3.3Å; D1001-A1040 WeakPolarHBondContact CA-O 3.44Å; D1001-M1126 HydrophobicContact CB-CE 3.81Å; D1001-M1126 HydrophobicContact CB-SD 3.92Å
1002	P	91.6	Very high	91.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-33.8	-172.1	28.2	-37.2	0	0	0	113.3	A1006 I1039 L1041 I1077 M1078 E1081	P1002-A1006 WeakPolarHBondContact O-CB 3Å; P1002-A1006 PolarHBondContact O-N 2.71Å; P1002-I1039 HydrophobicContact CB-CD1 4.28Å; P1002-I1039 HydrophobicContact CG-CD1 4.31Å; P1002-L1041 HydrophobicContact CG-CD1 4.38Å; P1002-L1041 HydrophobicContact CG-CD2 3.72Å; P1002-L1041 HydrophobicContact CG-CG 4.04Å; P1002-I1077 HydrophobicContact CB-CG2 4.08Å; P1002-I1077 HydrophobicContact CG-CG2 3.9Å; P1002-M1078 WeakPolarHBondContact CA-SD 3.39Å; P1002-M1078 HydrophobicContact CB-CE 4.29Å; P1002-M1078 HydrophobicContact CB-CG 4.44Å; P1002-M1078 HydrophobicContact CB-SD 3.22Å; P1002-M1078 WeakPolarHBondContact CB-SD 3.39Å; P1002-E1081 HydrophobicContact CB-CG 4.03Å; P1002-E1081 HydrophobicContact CG-CG 4.39Å
1003	A	89.1	Confident	91.4	Very high	34 Å²	34	31.1 Å²	31.1	28%	0.281	15%	0.151	S	C	.	.	H	α-helix	trans	-74.3	-37	-179.3	0	0	0	0	0	111.7	D1001 K1007 E1081	D1001-A1003 VanDerWaalsContact C-N 3.33Å; D1001-A1003 PolarHBondContact O-N 2.68Å; D1001-A1003 WeakPolarHBondContact OD1-CA 3.33Å; D1001-A1003 WeakPolarHBondContact OD1-CB 3.5Å; D1001-A1003 PolarHBondContact OD1-N 3.47Å; A1003-K1007 PolarHBondContact O-N 3.43Å; A1003-E1081 HydrophobicContact CB-CG 4.45Å
1004	L	90.2	Very high	91.1	Very high	72 Å²	72	34.5 Å²	34.5	38%	0.377	16%	0.163	S	C	.	.	H	α-helix	trans	-67.2	-44.5	173	-66	-176.5	0	0	0	111.4	D1001 A1006 K1007 V1125 M1126	D1001-L1004 HydrophobicContact CB-CB 4.16Å; D1001-L1004 HydrophobicContact CB-CD1 4Å; D1001-L1004 HydrophobicContact CB-CG 4.06Å; D1001-L1004 PolarHBondContact O-N 3.37Å; D1001-L1004 PolarHBondContact OD1-N 3.02Å; L1004-A1006 VanDerWaalsContact C-N 3.33Å; L1004-A1006 PolarHBondContact O-N 3.04Å; L1004-K1007 PolarHBondContact O-N 2.98Å; L1004-V1125 HydrophobicContact CB-CG1 4.07Å; L1004-V1125 HydrophobicContact CD1-CG1 4.27Å; L1004-M1126 HydrophobicContact CD1-SD 4.37Å
1005	L	91.8	Very high	90.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-42.4	178.5	-158.4	67.7	0	0	0	111.1	L995 A997 Q1000 D1001 K1007 K1008 I1009 V1033 M1078 V1125	L995-L1005 HydrophobicContact CD1-CD1 3.92Å; L995-L1005 HydrophobicContact CD2-CD1 3.54Å; L995-L1005 HydrophobicContact CD2-CD2 3.64Å; L995-L1005 HydrophobicContact CD2-CG 3.52Å; L995-L1005 HydrophobicContact CG-CD1 4Å; L995-L1005 HydrophobicContact CG-CD2 4.36Å; L995-L1005 HydrophobicContact CG-CG 4.42Å; A997-L1005 HydrophobicContact CB-CD2 3.94Å; Q1000-L1005 HydrophobicContact CB-CD1 4.35Å; Q1000-L1005 HydrophobicContact CB-CD2 4.15Å; Q1000-L1005 HydrophobicContact CG-CD1 4.4Å; D1001-L1005 WeakPolarHBondContact O-CB 3.3Å; D1001-L1005 PolarHBondContact O-N 3.3Å; L1005-K1007 VanDerWaalsContact C-N 3.33Å; L1005-K1007 PolarHBondContact O-N 3.3Å; L1005-K1008 WeakPolarHBondContact O-CB 3.35Å; L1005-K1008 PolarHBondContact O-N 3.42Å; L1005-K1008 VanDerWaalsContact O-N 3.08Å; L1005-I1009 HydrophobicContact CD2-CD1 4.28Å; L1005-I1009 HydrophobicContact CG-CD1 3.92Å; L1005-I1009 VanDerWaalsContact O-CG1 3.31Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.41Å; L1005-I1009 PolarHBondContact O-N 3.17Å; L1005-V1033 HydrophobicContact CD2-CG1 4.22Å; L1005-M1078 HydrophobicContact CB-CE 4.08Å; L1005-M1078 HydrophobicContact CD2-CE 3.91Å; L1005-M1078 HydrophobicContact CD2-SD 4.13Å; L1005-M1078 HydrophobicContact CG-CE 4.33Å; L1005-V1125 HydrophobicContact CD1-CG2 4.04Å
1006	A	92.9	Very high	90.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-56.9	-40.3	178.2	0	0	0	0	0	113.9	P1002 L1004 K1008 I1009 A1010 E1081 V1082 A1085	P1002-A1006 WeakPolarHBondContact O-CB 3Å; P1002-A1006 PolarHBondContact O-N 2.71Å; L1004-A1006 VanDerWaalsContact C-N 3.33Å; L1004-A1006 PolarHBondContact O-N 3.04Å; A1006-K1008 VanDerWaalsContact C-N 3.3Å; A1006-K1008 PolarHBondContact O-N 2.87Å; A1006-I1009 PolarHBondContact O-N 3.15Å; A1006-A1010 VanDerWaalsContact O-CB 3.28Å; A1006-A1010 WeakPolarHBondContact O-CB 3.48Å; A1006-A1010 PolarHBondContact O-N 3.16Å; A1006-E1081 HydrophobicContact CB-CB 3.69Å; A1006-E1081 WeakPolarHBondContact CB-O 3.35Å; A1006-V1082 HydrophobicContact CB-CB 4.43Å; A1006-V1082 HydrophobicContact CB-CG2 3.91Å; A1006-A1085 HydrophobicContact CB-CB 4.02Å
1007	K	91.3	Very high	89.5	Confident	139 Å²	139	39.4 Å²	39.4	60%	0.604	19%	0.188	S	C	*	.	H	α-helix	trans	-60.9	-40.3	176.4	-70.2	172.2	-176.7	174.6	0	111.8	A1003 L1004 L1005 V1011	A1003-K1007 PolarHBondContact O-N 3.43Å; L1004-K1007 PolarHBondContact O-N 2.98Å; L1005-K1007 VanDerWaalsContact C-N 3.33Å; L1005-K1007 PolarHBondContact O-N 3.3Å; K1007-V1011 WeakPolarHBondContact O-CG2 3.21Å
1008	K	91.2	Very high	88.7	Confident	61 Å²	61	40.4 Å²	40.4	27%	0.265	19%	0.192	S	C	.	.	H	α-helix	trans	-69.7	-47.1	177.7	-169.9	170.6	-174.1	171.2	0	111.2	L1005 A1006 A1010 V1011 E1123 V1125	L1005-K1008 WeakPolarHBondContact O-CB 3.35Å; L1005-K1008 PolarHBondContact O-N 3.42Å; L1005-K1008 VanDerWaalsContact O-N 3.08Å; A1006-K1008 VanDerWaalsContact C-N 3.3Å; A1006-K1008 PolarHBondContact O-N 2.87Å; K1008-A1010 VanDerWaalsContact C-N 3.32Å; K1008-A1010 PolarHBondContact O-N 3.3Å; K1008-V1011 PolarHBondContact O-N 2.86Å; K1008-E1123 PolarHBondContact NZ-O 3.37Å; K1008-V1125 HydrophobicContact CD-CG2 4.13Å
1009	I	94.5	Very high	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-45.1	177.2	-66	165.8	0	0	0	110.7	L995 L1005 A1006 V1011 V1012 L1013 V1031 V1033 M1078 V1082 L1102	L995-I1009 HydrophobicContact CD2-CD1 3.71Å; L995-I1009 HydrophobicContact CD2-CG1 3.71Å; L1005-I1009 HydrophobicContact CD2-CD1 4.28Å; L1005-I1009 HydrophobicContact CG-CD1 3.92Å; L1005-I1009 VanDerWaalsContact O-CG1 3.31Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.41Å; L1005-I1009 PolarHBondContact O-N 3.17Å; A1006-I1009 PolarHBondContact O-N 3.15Å; I1009-V1011 VanDerWaalsContact C-N 3.27Å; I1009-V1011 PolarHBondContact O-N 3Å; I1009-V1012 PolarHBondContact O-N 3.37Å; I1009-V1012 VanDerWaalsContact O-N 3.08Å; I1009-L1013 HydrophobicContact CG2-CD1 3.6Å; I1009-L1013 HydrophobicContact CG2-CG 3.83Å; I1009-L1013 WeakPolarHBondContact O-CG 3.41Å; I1009-L1013 PolarHBondContact O-N 2.7Å; I1009-V1031 HydrophobicContact CG1-CG1 4.27Å; I1009-V1031 HydrophobicContact CG2-CB 4.35Å; I1009-V1031 HydrophobicContact CG2-CG1 4.4Å; I1009-V1031 HydrophobicContact CG2-CG2 4.38Å; I1009-V1033 HydrophobicContact CD1-CG2 3.78Å; I1009-M1078 HydrophobicContact CD1-CE 3.95Å; I1009-V1082 HydrophobicContact CB-CG2 4.19Å; I1009-V1082 HydrophobicContact CD1-CG2 3.76Å; I1009-V1082 HydrophobicContact CG2-CG1 3.77Å; I1009-V1082 HydrophobicContact CG2-CG2 3.98Å; I1009-L1102 HydrophobicContact CG2-CD1 3.76Å
1010	A	91.9	Very high	86.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-27.6	-177.7	0	0	0	0	0	114	A1006 K1008 R1014 A1085 L1086	A1006-A1010 VanDerWaalsContact O-CB 3.28Å; A1006-A1010 WeakPolarHBondContact O-CB 3.48Å; A1006-A1010 PolarHBondContact O-N 3.16Å; K1008-A1010 VanDerWaalsContact C-N 3.32Å; K1008-A1010 PolarHBondContact O-N 3.3Å; A1010-R1014 WeakPolarHBondContact O-CB 3Å; A1010-R1014 VanDerWaalsContact O-CG 3.25Å; A1010-R1014 WeakPolarHBondContact O-CG 3.24Å; A1010-R1014 PolarHBondContact O-N 2.82Å; A1010-R1014 PolarHBondContact O-NE 3.15Å; A1010-A1085 HydrophobicContact CB-CB 3.85Å; A1010-L1086 HydrophobicContact CB-CD2 3.96Å; A1010-L1086 HydrophobicContact CB-CG 4.33Å
1011	V	89.1	Confident	85	Confident	53 Å²	53	46.7 Å²	46.7	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-44.5	173.2	171.2	0	0	0	0	110.2	K1007 K1008 I1009 R1014 G1015 M1016	K1007-V1011 WeakPolarHBondContact O-CG2 3.21Å; K1008-V1011 PolarHBondContact O-N 2.86Å; I1009-V1011 VanDerWaalsContact C-N 3.27Å; I1009-V1011 PolarHBondContact O-N 3Å; V1011-R1014 PolarHBondContact O-N 3.09Å; V1011-G1015 PolarHBondContact O-N 3.11Å; V1011-M1016 HydrophobicContact CG1-CB 3.82Å; V1011-M1016 PolarHBondContact O-N 3.15Å
1012	V	91.3	Very high	83.8	Confident	7 Å²	7	48 Å²	48	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-70.9	-45.5	-178.3	-179.7	0	0	0	0	111.5	H993 I1009 R1014 G1015 D1029 V1031 L1122	H993-V1012 VanDerWaalsContact CD2-CG1 3.42Å; H993-V1012 WeakPolarHBondContact CD2-CG1 3.28Å; I1009-V1012 PolarHBondContact O-N 3.37Å; I1009-V1012 VanDerWaalsContact O-N 3.08Å; V1012-R1014 PolarHBondContact O-N 2.92Å; V1012-G1015 PolarHBondContact O-N 3.41Å; V1012-D1029 HydrophobicContact CG1-CB 3.69Å; V1012-D1029 PolarHBondContact O-N 3.04Å; V1012-V1031 HydrophobicContact CB-CG2 3.96Å; V1012-V1031 HydrophobicContact CG1-CG2 3.55Å; V1012-L1122 HydrophobicContact CG2-CD1 4.25Å; V1012-L1122 HydrophobicContact CG2-CD2 4.1Å
1013	L	90.7	Very high	82.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-24.4	176.8	-66.6	-178.8	0	0	0	113.3	I1009 G1028 D1029 V1031 V1082 L1086 N1098 R1101 L1102	I1009-L1013 HydrophobicContact CG2-CD1 3.6Å; I1009-L1013 HydrophobicContact CG2-CG 3.83Å; I1009-L1013 WeakPolarHBondContact O-CG 3.41Å; I1009-L1013 PolarHBondContact O-N 2.7Å; L1013-G1028 VanDerWaalsContact O-CA 3.3Å; L1013-G1028 WeakPolarHBondContact O-CA 3.33Å; L1013-D1029 WeakPolarHBondContact CD2-O 3.39Å; L1013-V1031 HydrophobicContact CD2-CB 4.25Å; L1013-V1031 HydrophobicContact CD2-CG2 3.91Å; L1013-V1031 HydrophobicContact CG-CG2 4.32Å; L1013-V1082 HydrophobicContact CD1-CG1 3.7Å; L1013-L1086 HydrophobicContact CB-CD2 4.21Å; L1013-L1086 HydrophobicContact CD1-CD1 4.47Å; L1013-N1098 HydrophobicContact CB-CB 4.43Å; L1013-N1098 PolarHBondContact O-OD1 3.37Å; L1013-R1101 HydrophobicContact CD2-CB 3.86Å; L1013-R1101 PolarHBondContact O-NH2 3.08Å; L1013-L1102 HydrophobicContact CD1-CB 4.12Å; L1013-L1102 HydrophobicContact CD1-CD1 4.44Å; L1013-L1102 HydrophobicContact CD2-CB 4.49Å
1014	R	86.3	Confident	81.3	Confident	81 Å²	81	57.9 Å²	57.9	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-86.9	-14	173.6	-74.1	-176.7	-68.4	175.8	2.3	113.4	A1010 V1011 V1012 M1016 F1021 L1086	A1010-R1014 WeakPolarHBondContact O-CB 3Å; A1010-R1014 VanDerWaalsContact O-CG 3.25Å; A1010-R1014 WeakPolarHBondContact O-CG 3.24Å; A1010-R1014 PolarHBondContact O-N 2.82Å; A1010-R1014 PolarHBondContact O-NE 3.15Å; V1011-R1014 PolarHBondContact O-N 3.09Å; V1012-R1014 PolarHBondContact O-N 2.92Å; R1014-M1016 VanDerWaalsContact C-N 3.3Å; R1014-M1016 HydrophobicContact CB-CG 4.03Å; R1014-M1016 HydrophobicContact CB-SD 4.34Å; R1014-F1021 VanDerWaalsContact O-CE2 3.27Å; R1014-F1021 WeakPolarHBondContact O-CE2 3.29Å; R1014-L1086 HydrophobicContact CG-CD2 3.99Å
1015	G	83	Confident	80	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	13.5	-176.3	0	0	0	0	0	113.6	V1011 V1012 N1017 K1018	V1011-G1015 PolarHBondContact O-N 3.11Å; V1012-G1015 PolarHBondContact O-N 3.41Å; G1015-N1017 WeakPolarHBondContact CA-OD1 3.43Å; G1015-N1017 PolarHBondContact O-N 2.8Å; G1015-K1018 WeakPolarHBondContact O-CB 3.38Å; G1015-K1018 PolarHBondContact O-N 3.5Å; G1015-K1018 VanDerWaalsContact O-N 3.12Å
1016	M	82.4	Confident	79	Confident	84 Å²	84	57 Å²	57	41%	0.414	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.7	177.6	-69.2	178.7	70.6	0	0	112.7	V1011 R1014 K1018 F1021	V1011-M1016 HydrophobicContact CG1-CB 3.82Å; V1011-M1016 PolarHBondContact O-N 3.15Å; R1014-M1016 VanDerWaalsContact C-N 3.3Å; R1014-M1016 HydrophobicContact CB-CG 4.03Å; R1014-M1016 HydrophobicContact CB-SD 4.34Å; M1016-K1018 VanDerWaalsContact C-N 3.26Å; M1016-F1021 HydrophobicContact CB-CD2 4.44Å; M1016-F1021 HydrophobicContact CG-CD1 4.12Å; M1016-F1021 HydrophobicContact CG-CD2 3.81Å; M1016-F1021 HydrophobicContact CG-CE1 3.83Å; M1016-F1021 HydrophobicContact CG-CE2 3.52Å; M1016-F1021 HydrophobicContact CG-CG 4.12Å; M1016-F1021 HydrophobicContact CG-CZ 3.52Å; M1016-F1021 HydrophobicContact SD-CZ 4.3Å
1017	N	81	Confident	78	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.332	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.2	170.5	62.5	-55.8	0	0	0	113.2	G1015 D1029	G1015-N1017 WeakPolarHBondContact CA-OD1 3.43Å; G1015-N1017 PolarHBondContact O-N 2.8Å; N1017-D1029 PolarHBondContact ND2-OD2 2.89Å
1018	K	75.3	Confident	77.6	Confident	21 Å²	21	50.3 Å²	50.3	9%	0.091	25%	0.253	C	S	.	.	S	Bend	trans	-86.8	149.9	-177	-65.7	-173.5	171.5	171	0	111.9	L986 T989 G1015 M1016 I1020 C1027 D1029	L986-K1018 PolarHBondContact O-NZ 2.97Å; L986-K1018 VanDerWaalsContact O-NZ 3.14Å; T989-K1018 WeakPolarHBondContact O-CE 3.47Å; T989-K1018 PolarHBondContact O-NZ 2.96Å; G1015-K1018 WeakPolarHBondContact O-CB 3.38Å; G1015-K1018 PolarHBondContact O-N 3.5Å; G1015-K1018 VanDerWaalsContact O-N 3.12Å; M1016-K1018 VanDerWaalsContact C-N 3.26Å; K1018-I1020 PolarHBondContact O-N 3.32Å; K1018-C1027 VanDerWaalsContact CE-O 3.32Å; K1018-C1027 WeakPolarHBondContact CE-O 3.39Å; K1018-C1027 PolarHBondContact NZ-O 3.01Å; K1018-D1029 WeakPolarHBondContact CE-OD1 3.13Å; K1018-D1029 IonicContact NZ-OD1 3.55Å; K1018-D1029 PolarHBondContact NZ-OD1 3.18Å
1019	P	66.1	Low	77.5	Confident	142 Å²	142	47.4 Å²	47.4	92%	0.922	24%	0.241	S	C	*	.	S	Bend	trans	-59	-28.6	178.4	-22.6	32	0	0	0	113.8
1020	I	60.4	Low	77.4	Confident	104 Å²	104	49 Å²	49	53%	0.533	25%	0.248	S	C	.	.	S	Bend	trans	-121.8	119.7	177	-59.2	171.5	0	0	0	106.5	V982 L986 K1018	V982-I1020 HydrophobicContact CG1-CG2 4.29Å; L986-I1020 HydrophobicContact CD1-CG2 4.24Å; L986-I1020 HydrophobicContact CD2-CB 3.87Å; L986-I1020 HydrophobicContact CD2-CG2 4Å; L986-I1020 WeakPolarHBondContact CD2-O 3.43Å; K1018-I1020 PolarHBondContact O-N 3.32Å
1021	F	65.2	Low	77.5	Confident	84 Å²	84	49 Å²	49	37%	0.368	25%	0.248	S	C	.	.			trans	-131.3	137	-179.1	165.7	-103.6	0	0	0	110.3	R1014 M1016 H1023	R1014-F1021 VanDerWaalsContact O-CE2 3.27Å; R1014-F1021 WeakPolarHBondContact O-CE2 3.29Å; M1016-F1021 HydrophobicContact CB-CD2 4.44Å; M1016-F1021 HydrophobicContact CG-CD1 4.12Å; M1016-F1021 HydrophobicContact CG-CD2 3.81Å; M1016-F1021 HydrophobicContact CG-CE1 3.83Å; M1016-F1021 HydrophobicContact CG-CE2 3.52Å; M1016-F1021 HydrophobicContact CG-CG 4.12Å; M1016-F1021 HydrophobicContact CG-CZ 3.52Å; M1016-F1021 HydrophobicContact SD-CZ 4.3Å; F1021-H1023 HydrophobicContact CE1-CB 4.46Å; F1021-H1023 HydrophobicContact CZ-CB 4.14Å
1022	H	64.6	Low	77.8	Confident	63 Å²	63	46.4 Å²	46.4	29%	0.292	23%	0.233	S	C	.	.			trans	-138.1	129.3	170.3	-173.1	-88.8	0	0	0	109.6	Q1024 A1025	H1022-Q1024 PolarHBondContact ND1-N 3.02Å; H1022-Q1024 PolarHBondContact O-N 2.95Å; H1022-Q1024 VanDerWaalsContact O-N 3.12Å; H1022-A1025 HydrophobicContact CB-CB 3.88Å; H1022-A1025 WeakPolarHBondContact O-CB 3.25Å; H1022-A1025 PolarHBondContact O-N 3.16Å
1023	H	64.3	Low	78	Confident	116 Å²	116	46.1 Å²	46.1	54%	0.537	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.6	-171.5	66.7	-77.2	0	0	0	115.1	F1021	F1021-H1023 HydrophobicContact CE1-CB 4.46Å; F1021-H1023 HydrophobicContact CZ-CB 4.14Å
1024	Q	64.3	Low	78.2	Confident	125 Å²	125	47.9 Å²	47.9	58%	0.584	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-11	173.6	-56	-178.3	-26.3	0	0	113.4	H1022	H1022-Q1024 PolarHBondContact ND1-N 3.02Å; H1022-Q1024 PolarHBondContact O-N 2.95Å; H1022-Q1024 VanDerWaalsContact O-N 3.12Å
1025	A	63.4	Low	78.6	Confident	9 Å²	9	44.6 Å²	44.6	7%	0.074	23%	0.226	C	C	.	.	S	Bend	trans	-82.4	131.1	177.2	0	0	0	0	0	109.2	Q983 L986 H1022 C1027	Q983-A1025 HydrophobicContact CG-CB 4.03Å; L986-A1025 HydrophobicContact CD1-CB 4.16Å; H1022-A1025 HydrophobicContact CB-CB 3.88Å; H1022-A1025 WeakPolarHBondContact O-CB 3.25Å; H1022-A1025 PolarHBondContact O-N 3.16Å; A1025-C1027 PolarHBondContact O-N 3.24Å
1026	D	69.3	Low	79.2	Confident	43 Å²	43	44.6 Å²	44.6	23%	0.23	23%	0.226	C	C	.	.			trans	-78.5	67.4	177.9	-171.2	29.6	0	0	0	110.4	R990 R1101	R990-D1026 IonicContact CZ-OD2 2.99Å; R990-D1026 PolarHBondContact NH2-O 3.25Å; R990-D1026 IonicContact NH2-OD1 3.55Å; R990-D1026 IonicContact NH2-OD2 3.29Å; R990-D1026 PolarHBondContact NH2-OD2 2.84Å; D1026-R1101 IonicContact OD1-CZ 2.78Å; D1026-R1101 IonicContact OD1-NH1 3.52Å; D1026-R1101 PolarHBondContact OD1-NH1 3.01Å; D1026-R1101 IonicContact OD1-NH2 3.69Å; D1026-R1101 PolarHBondContact OD1-NH2 3.08Å; D1026-R1101 IonicContact OD2-NH1 3.72Å; D1026-R1101 PolarHBondContact OD2-NH1 3.47Å
1027	C	72.9	Confident	79.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.			trans	-101	6.1	-172.9	62.7	0	0	0	0	114.2	L986 K1018 A1025	L986-C1027 HydrophobicContact CB-CB 3.7Å; L986-C1027 HydrophobicContact CD1-CB 4.25Å; L986-C1027 HydrophobicContact CG-CB 4.39Å; K1018-C1027 VanDerWaalsContact CE-O 3.32Å; K1018-C1027 WeakPolarHBondContact CE-O 3.39Å; K1018-C1027 PolarHBondContact NZ-O 3.01Å; A1025-C1027 PolarHBondContact O-N 3.24Å
1028	G	83.3	Confident	80.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.8	147.5	-176.5	0	0	0	0	0	115.2	R990 L1013 R1101	R990-G1028 WeakPolarHBondContact CG-O 3.3Å; L1013-G1028 VanDerWaalsContact O-CA 3.3Å; L1013-G1028 WeakPolarHBondContact O-CA 3.33Å; G1028-R1101 WeakPolarHBondContact O-CD 3.39Å; G1028-R1101 PolarHBondContact O-NE 2.81Å
1029	D	88.8	Confident	80.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-93.2	167.2	-179.9	-72	-20.5	0	0	0	112.1	R990 Q991 H993 V1012 L1013 N1017 K1018	R990-D1029 VanDerWaalsContact CA-OD1 3.31Å; R990-D1029 WeakPolarHBondContact CA-OD1 3.35Å; Q991-D1029 PolarHBondContact N-OD1 3.1Å; Q991-D1029 VanDerWaalsContact O-CB 3.3Å; Q991-D1029 WeakPolarHBondContact O-CB 3.19Å; H993-D1029 IonicContact CD2-OD2 2.68Å; H993-D1029 IonicContact NE2-OD2 3.44Å; H993-D1029 PolarHBondContact NE2-OD2 3.34Å; V1012-D1029 HydrophobicContact CG1-CB 3.69Å; V1012-D1029 PolarHBondContact O-N 3.04Å; L1013-D1029 WeakPolarHBondContact CD2-O 3.39Å; N1017-D1029 PolarHBondContact ND2-OD2 2.89Å; K1018-D1029 WeakPolarHBondContact CE-OD1 3.13Å; K1018-D1029 IonicContact NZ-OD1 3.55Å; K1018-D1029 PolarHBondContact NZ-OD1 3.18Å
1030	H	92.1	Very high	81.8	Confident	34 Å²	34	40.3 Å²	40.3	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.1	174.1	-75.1	-119.7	0	0	0	110.8	Q991 W992 H993 R1101 H1103	Q991-H1030 PolarHBondContact O-N 2.91Å; W992-H1030 HydrophobicContact CB-CB 4.39Å; W992-H1030 HydrophobicContact CD2-CB 3.5Å; W992-H1030 VanDerWaalsContact CD2-CB 3.5Å; W992-H1030 AromaticContact CD2-CG 3.83Å; W992-H1030 AromaticContact CE2-CG 3.65Å; W992-H1030 AromaticContact CE2-ND1 3.7Å; W992-H1030 HydrophobicContact CE3-CB 3.67Å; W992-H1030 HydrophobicContact CG-CB 3.83Å; W992-H1030 AromaticContact CH2-CE1 3.94Å; W992-H1030 AromaticContact CH2-ND1 3.37Å; W992-H1030 WeakPolarHBondContact CH2-ND1 3.25Å; W992-H1030 HydrophobicContact CZ2-CB 4.39Å; W992-H1030 AromaticContact CZ2-CE1 3.66Å; W992-H1030 AromaticContact CZ2-CG 3.81Å; W992-H1030 AromaticContact CZ2-ND1 3.34Å; W992-H1030 VanDerWaalsContact CZ2-ND1 3.34Å; W992-H1030 WeakPolarHBondContact CZ2-ND1 3.34Å; W992-H1030 HydrophobicContact CZ3-CB 4.19Å; W992-H1030 AromaticContact CZ3-ND1 3.73Å; H993-H1030 PolarHBondContact CD2-O 2.9Å; H993-H1030 PolarHBondContact N-O 3.41Å; H1030-R1101 WeakPolarHBondContact CA-O 3.39Å; H1030-H1103 AromaticContact CE1-NE2 3.97Å; H1030-H1103 AromaticContact ND1-NE2 3.12Å; H1030-H1103 PolarHBondContact ND1-NE2 2.99Å; H1030-H1103 VanDerWaalsContact ND1-NE2 3.12Å
1031	V	94.7	Very high	82.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.7	174.8	-172.9	0	0	0	0	109.6	H993 L995 I1009 V1012 L1013 V1033 R1101 L1102 H1103 L1122	H993-V1031 HydrophobicContact CB-CG2 4.38Å; H993-V1031 CarbonylContact O-C 3.15Å; H993-V1031 WeakPolarHBondContact O-CA 3.28Å; L995-V1031 HydrophobicContact CB-CG1 4.4Å; I1009-V1031 HydrophobicContact CG1-CG1 4.27Å; I1009-V1031 HydrophobicContact CG2-CB 4.35Å; I1009-V1031 HydrophobicContact CG2-CG1 4.4Å; I1009-V1031 HydrophobicContact CG2-CG2 4.38Å; V1012-V1031 HydrophobicContact CB-CG2 3.96Å; V1012-V1031 HydrophobicContact CG1-CG2 3.55Å; L1013-V1031 HydrophobicContact CD2-CB 4.25Å; L1013-V1031 HydrophobicContact CD2-CG2 3.91Å; L1013-V1031 HydrophobicContact CG-CG2 4.32Å; V1031-V1033 HydrophobicContact CG1-CG2 3.92Å; V1031-R1101 PolarHBondContact N-O 3.09Å; V1031-L1102 HydrophobicContact CB-CD1 4.45Å; V1031-H1103 PolarHBondContact O-N 2.62Å; V1031-L1122 HydrophobicContact CG1-CD1 3.93Å; V1031-L1122 HydrophobicContact CG2-CD1 4.31Å
1032	I	95.1	Very high	83.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119	172	-59.2	160.5	0	0	0	107.7	W992 H993 L994 L995 H1103 L1105 L1114 V1118	W992-I1032 HydrophobicContact CE3-CD1 3.75Å; W992-I1032 HydrophobicContact CE3-CG1 4.13Å; W992-I1032 HydrophobicContact CZ3-CD1 4.14Å; W992-I1032 HydrophobicContact CZ3-CG1 4.35Å; H993-I1032 PolarHBondContact O-N 3.42Å; L994-I1032 CarbonylContact C-O 3.57Å; L994-I1032 HydrophobicContact CD1-CB 3.95Å; L994-I1032 HydrophobicContact CD1-CG2 3.8Å; L995-I1032 PolarHBondContact N-O 2.83Å; I1032-H1103 CarbonylContact C-O 3.57Å; I1032-H1103 WeakPolarHBondContact CA-O 3.03Å; I1032-H1103 HydrophobicContact CB-CB 4.4Å; I1032-H1103 HydrophobicContact CG1-CB 3.97Å; I1032-H1103 HydrophobicContact CG2-CB 4.47Å; I1032-L1105 HydrophobicContact CG2-CD1 4.06Å; I1032-L1114 HydrophobicContact CD1-CB 3.81Å; I1032-V1118 HydrophobicContact CD1-CG2 3.73Å
1033	V	95.8	Very high	83.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.3	177.5	-170.6	0	0	0	0	108.6	L995 A997 L1005 I1009 V1031 L1102 H1103 L1104 L1105	L995-V1033 HydrophobicContact CB-CG2 4.37Å; L995-V1033 HydrophobicContact CD2-CG1 4.24Å; L995-V1033 HydrophobicContact CD2-CG2 3.9Å; L995-V1033 VanDerWaalsContact O-CA 3.27Å; L995-V1033 WeakPolarHBondContact O-CA 3.47Å; A997-V1033 HydrophobicContact CB-CG1 3.63Å; L1005-V1033 HydrophobicContact CD2-CG1 4.22Å; I1009-V1033 HydrophobicContact CD1-CG2 3.78Å; V1031-V1033 HydrophobicContact CG1-CG2 3.92Å; V1033-L1102 HydrophobicContact CG2-CD1 3.96Å; V1033-H1103 PolarHBondContact N-O 2.78Å; V1033-L1104 HydrophobicContact CB-CD2 3.64Å; V1033-L1104 HydrophobicContact CG1-CD2 4.35Å; V1033-L1104 HydrophobicContact CG2-CD2 3.87Å; V1033-L1104 CarbonylContact O-C 3.31Å; V1033-L1104 WeakPolarHBondContact O-CA 3.35Å; V1033-L1105 PolarHBondContact O-N 3.05Å
1034	Y	95	Very high	84.5	Confident	38 Å²	38	43.8 Å²	43.8	15%	0.149	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	171.3	179.6	71.9	-83.1	0	0	0	111.6	L994 L995 D996 A997 C1036 L1105 D1108 I1110	L994-Y1034 HydrophobicContact CD1-CD1 3.71Å; L994-Y1034 HydrophobicContact CD1-CE1 3.94Å; L994-Y1034 HydrophobicContact CD2-CE1 4.06Å; L994-Y1034 HydrophobicContact CG-CD1 4.1Å; L994-Y1034 HydrophobicContact CG-CE1 3.8Å; L995-Y1034 WeakPolarHBondContact O-CD1 3.49Å; L995-Y1034 PolarHBondContact O-N 3.14Å; D996-Y1034 HydrophobicContact CB-CD1 4.43Å; D996-Y1034 HydrophobicContact CB-CE1 3.66Å; D996-Y1034 HydrophobicContact CB-CE2 4.05Å; D996-Y1034 VanDerWaalsContact CB-CZ 3.46Å; D996-Y1034 WeakPolarHBondContact CB-OH 3.31Å; A997-Y1034 VanDerWaalsContact CB-O 3.31Å; A997-Y1034 WeakPolarHBondContact CB-O 3.43Å; A997-Y1034 PolarHBondContact N-O 3Å; Y1034-C1036 VanDerWaalsContact C-N 3.32Å; Y1034-C1036 PolarHBondContact O-N 2.73Å; Y1034-L1105 CarbonylContact C-O 3.59Å; Y1034-D1108 HydrophobicContact CD2-CB 4.39Å; Y1034-I1110 HydrophobicContact CD1-CD1 4.06Å; Y1034-I1110 HydrophobicContact CE1-CD1 4.35Å; Y1034-I1110 HydrophobicContact CG-CD1 4.19Å; Y1034-I1110 HydrophobicContact CG-CG1 4.31Å
1035	N	94	Very high	85.3	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.064	20%	0.196	C	C	.	.			trans	58.5	33.3	-172.9	-69.1	-38.5	0	0	0	115	D996 K998 R1037 H1038 L1105 A1106 D1107 D1108	D996-N1035 WeakPolarHBondContact OD1-CB 3.49Å; D996-N1035 PolarHBondContact OD1-ND2 3.26Å; K998-N1035 HydrophobicContact CB-CB 3.9Å; N1035-R1037 PolarHBondContact O-N 2.82Å; N1035-R1037 VanDerWaalsContact O-N 3.1Å; N1035-H1038 PolarHBondContact O-N 3.05Å; N1035-L1105 PolarHBondContact N-O 2.95Å; N1035-A1106 CarbonylContact C-O 3.42Å; N1035-A1106 VanDerWaalsContact C-O 3.23Å; N1035-A1106 WeakPolarHBondContact CA-O 3.32Å; N1035-D1107 PolarHBondContact N-O 3.1Å; N1035-D1107 VanDerWaalsContact N-O 3.12Å; N1035-D1108 WeakPolarHBondContact OD1-CB 3.5Å; N1035-D1108 PolarHBondContact OD1-N 3.38Å
1036	C	94.4	Very high	86.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61	-20.5	178.6	-62	0	0	0	0	113.6	Y1034 H1038 I1039 H1070 P1074 C1075 M1078 L1105 A1106	Y1034-C1036 VanDerWaalsContact C-N 3.32Å; Y1034-C1036 PolarHBondContact O-N 2.73Å; C1036-H1038 PolarHBondContact O-N 2.82Å; C1036-I1039 WeakPolarHBondContact O-CG2 3.34Å; C1036-H1070 PolarHBondContact O-NE2 3.49Å; C1036-P1074 WeakPolarHBondContact CB-O 3.5Å; C1036-C1075 HydrophobicContact CB-CB 4.41Å; C1036-M1078 HydrophobicContact CB-CG 4.5Å; C1036-L1105 WeakPolarHBondContact CB-O 3.33Å; C1036-L1105 PolarHBondContact N-O 3.13Å; C1036-L1105 PolarHBondContact SG-O 3.43Å; C1036-A1106 PolarHBondContact N-O 3.19Å
1037	R	93.8	Very high	86.7	Confident	109 Å²	109	47.4 Å²	47.4	41%	0.411	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-64.1	-21.8	171	-168.2	-177.5	-54.8	-77	-2.3	113.4	N1035 H1070 P1074 A1106 D1107	N1035-R1037 PolarHBondContact O-N 2.82Å; N1035-R1037 VanDerWaalsContact O-N 3.1Å; R1037-H1070 PolarHBondContact O-CE1 3.11Å; R1037-H1070 VanDerWaalsContact O-CE1 3.26Å; R1037-P1074 HydrophobicContact CB-CB 4.02Å; R1037-P1074 HydrophobicContact CG-CB 4.44Å; R1037-A1106 VanDerWaalsContact CB-O 3.29Å; R1037-A1106 WeakPolarHBondContact CB-O 3.48Å; R1037-A1106 PolarHBondContact N-O 2.93Å; R1037-D1107 IonicContact CZ-OD1 3.7Å; R1037-D1107 IonicContact CZ-OD2 3.88Å; R1037-D1107 IonicContact NE-OD1 2.77Å; R1037-D1107 PolarHBondContact NE-OD1 2.92Å; R1037-D1107 IonicContact NE-OD2 2.98Å; R1037-D1107 IonicContact NH2-OD1 2.7Å; R1037-D1107 IonicContact NH2-OD2 2.84Å; R1037-D1107 PolarHBondContact NH2-OD2 3.3Å
1038	H	91.4	Very high	87	Confident	77 Å²	77	57.2 Å²	57.2	36%	0.356	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-107.8	16.5	-174.4	-58.7	-53.4	0	0	0	113.3	K998 W999 N1035 C1036	K998-H1038 HydrophobicContact CB-CB 4.23Å; K998-H1038 HydrophobicContact CG-CB 3.83Å; W999-H1038 WeakPolarHBondContact CA-O 3.33Å; W999-H1038 PolarHBondContact N-O 3.23Å; N1035-H1038 PolarHBondContact O-N 3.05Å; C1036-H1038 PolarHBondContact O-N 2.82Å
1039	I	90.3	Very high	86.8	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.051	28%	0.276	C	S	.	.			trans	-58.2	152	170.7	63.6	179.1	0	0	0	111.2	A997 P1002 C1036 W1046 I1077 M1078	A997-I1039 HydrophobicContact CB-CG2 3.9Å; P1002-I1039 HydrophobicContact CB-CD1 4.28Å; P1002-I1039 HydrophobicContact CG-CD1 4.31Å; C1036-I1039 WeakPolarHBondContact O-CG2 3.34Å; I1039-W1046 HydrophobicContact CD1-CH2 4.05Å; I1039-W1046 HydrophobicContact CG1-CH2 3.88Å; I1039-W1046 HydrophobicContact CG1-CZ2 4.24Å; I1039-I1077 HydrophobicContact CD1-CB 3.83Å; I1039-I1077 HydrophobicContact CD1-CG2 3.87Å; I1039-M1078 HydrophobicContact CG2-CG 3.94Å; I1039-M1078 HydrophobicContact CG2-SD 4.01Å
1040	A	85.4	Confident	86.3	Confident	23 Å²	23	62.9 Å²	62.9	19%	0.19	29%	0.294	C	S	.	.			trans	-123.6	113.9	-175.4	0	0	0	0	0	111.3	W999 Q1000 D1001	W999-A1040 HydrophobicContact CE3-CB 4.12Å; Q1000-A1040 PolarHBondContact O-N 3.01Å; D1001-A1040 WeakPolarHBondContact CA-O 3.44Å
1041	L	83	Confident	85.5	Confident	20 Å²	20	62.8 Å²	62.8	11%	0.105	29%	0.293	C	S	.	.			trans	-106.2	157.7	162	-67.3	167	0	0	0	109.5	P1002 D1045 W1046 L1049 A1066	P1002-L1041 HydrophobicContact CG-CD1 4.38Å; P1002-L1041 HydrophobicContact CG-CD2 3.72Å; P1002-L1041 HydrophobicContact CG-CG 4.04Å; L1041-D1045 HydrophobicContact CB-CB 4.25Å; L1041-W1046 HydrophobicContact CB-CD2 4.03Å; L1041-W1046 HydrophobicContact CB-CG 4.15Å; L1041-W1046 HydrophobicContact CB-CZ2 4.2Å; L1041-W1046 HydrophobicContact CD1-CD2 3.97Å; L1041-W1046 HydrophobicContact CD1-CE3 3.88Å; L1041-W1046 HydrophobicContact CD1-CH2 4.18Å; L1041-W1046 HydrophobicContact CD1-CZ2 4.25Å; L1041-W1046 HydrophobicContact CD1-CZ3 3.98Å; L1041-W1046 HydrophobicContact CG-CZ2 4.33Å; L1041-W1046 PolarHBondContact O-NE1 3.15Å; L1041-L1049 HydrophobicContact CD1-CD1 4.14Å; L1041-L1049 HydrophobicContact CD2-CD1 4.14Å; L1041-A1066 HydrophobicContact CD1-CB 4.36Å
1042	R	75.5	Confident	84.2	Confident	197 Å²	197	70.7 Å²	70.7	74%	0.743	32%	0.324	S	S	*	.			trans	-63.6	146.9	172.8	-55.4	177.6	172.8	-172.8	-2	108.9	F1044 D1045 W1046	R1042-F1044 PolarHBondContact O-N 2.83Å; R1042-D1045 HydrophobicContact CB-CB 4.49Å; R1042-D1045 VanDerWaalsContact CB-OD2 3.32Å; R1042-D1045 WeakPolarHBondContact CB-OD2 3.29Å; R1042-D1045 WeakPolarHBondContact O-CA 3.44Å; R1042-D1045 WeakPolarHBondContact O-CB 3.46Å; R1042-D1045 PolarHBondContact O-N 3.5Å; R1042-W1046 PolarHBondContact O-N 3.4Å
1043	G	74	Confident	82.3	Confident	61 Å²	61	74.5 Å²	74.5	63%	0.629	34%	0.341	S	S	*	.	H	α-helix	trans	-53.2	-34.8	-173.4	0	0	0	0	0	114.9
1044	F	78.4	Confident	80.2	Confident	162 Å²	162	80.5 Å²	80.5	71%	0.711	37%	0.373	S	S	*	.	H	α-helix	trans	-73.4	-31.9	175.1	-63.8	-73.5	0	0	0	113.3	R1042 K1047 R1048	R1042-F1044 PolarHBondContact O-N 2.83Å; F1044-K1047 PolarHBondContact O-N 3.37Å; F1044-R1048 VanDerWaalsContact O-CB 3.29Å; F1044-R1048 WeakPolarHBondContact O-CB 3.1Å; F1044-R1048 PolarHBondContact O-N 3.3Å
1045	D	80.7	Confident	78.2	Confident	47 Å²	47	80.9 Å²	80.9	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-71.7	-32.7	-176.5	-65.2	-29.7	0	0	0	111.7	L1041 R1042 K1047 R1048 L1049	L1041-D1045 HydrophobicContact CB-CB 4.25Å; R1042-D1045 HydrophobicContact CB-CB 4.49Å; R1042-D1045 VanDerWaalsContact CB-OD2 3.32Å; R1042-D1045 WeakPolarHBondContact CB-OD2 3.29Å; R1042-D1045 WeakPolarHBondContact O-CA 3.44Å; R1042-D1045 WeakPolarHBondContact O-CB 3.46Å; R1042-D1045 PolarHBondContact O-N 3.5Å; D1045-K1047 PolarHBondContact O-N 3.19Å; D1045-R1048 PolarHBondContact O-N 3.3Å; D1045-L1049 HydrophobicContact CB-CD1 3.96Å; D1045-L1049 HydrophobicContact CB-CG 4.29Å; D1045-L1049 VanDerWaalsContact O-CB 3.27Å; D1045-L1049 WeakPolarHBondContact O-CB 3.4Å; D1045-L1049 WeakPolarHBondContact O-CG 3.47Å; D1045-L1049 PolarHBondContact O-N 2.98Å
1046	W	83.6	Confident	76.1	Confident	48 Å²	48	92 Å²	92	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-55.1	-36.4	173.1	-80.9	115.2	0	0	0	113.7	I1039 L1041 R1042 A1066 F1067 H1070	I1039-W1046 HydrophobicContact CD1-CH2 4.05Å; I1039-W1046 HydrophobicContact CG1-CH2 3.88Å; I1039-W1046 HydrophobicContact CG1-CZ2 4.24Å; L1041-W1046 HydrophobicContact CB-CD2 4.03Å; L1041-W1046 HydrophobicContact CB-CG 4.15Å; L1041-W1046 HydrophobicContact CB-CZ2 4.2Å; L1041-W1046 HydrophobicContact CD1-CD2 3.97Å; L1041-W1046 HydrophobicContact CD1-CE3 3.88Å; L1041-W1046 HydrophobicContact CD1-CH2 4.18Å; L1041-W1046 HydrophobicContact CD1-CZ2 4.25Å; L1041-W1046 HydrophobicContact CD1-CZ3 3.98Å; L1041-W1046 HydrophobicContact CG-CZ2 4.33Å; L1041-W1046 PolarHBondContact O-NE1 3.15Å; R1042-W1046 PolarHBondContact O-N 3.4Å; W1046-A1066 HydrophobicContact CE3-CB 3.92Å; W1046-A1066 HydrophobicContact CZ3-CB 4.29Å; W1046-A1066 PolarHBondContact O-N 3.39Å; W1046-F1067 HydrophobicContact CB-CB 4.32Å; W1046-F1067 HydrophobicContact CE3-CB 4.1Å; W1046-F1067 PolarHBondContact O-N 2.95Å; W1046-H1070 HydrophobicContact CH2-CB 4.15Å; W1046-H1070 AromaticContact CH2-CG 3.75Å; W1046-H1070 AromaticContact CH2-ND1 3.79Å; W1046-H1070 HydrophobicContact CZ3-CB 3.69Å; W1046-H1070 AromaticContact CZ3-CG 3.83Å
1047	K	79.4	Confident	73.4	Confident	157 Å²	157	101.3 Å²	101.3	68%	0.683	46%	0.455	S	S	*	.	H	α-helix	trans	-89.7	-33.6	178.5	-66.1	-174.3	178.4	-174.8	0	112.8	F1044 D1045 F1067	F1044-K1047 PolarHBondContact O-N 3.37Å; D1045-K1047 PolarHBondContact O-N 3.19Å; K1047-F1067 HydrophobicContact CG-CD1 4.37Å; K1047-F1067 HydrophobicContact CG-CE1 4.46Å
1048	R	78.2	Confident	71.3	Confident	206 Å²	206	102.5 Å²	102.5	78%	0.777	48%	0.48	S	S	*	.	H	α-helix	trans	-83.8	-38.1	-173.3	-178.3	178.6	173.6	155.1	0.3	113.1	F1044 D1045 S1050	F1044-R1048 VanDerWaalsContact O-CB 3.29Å; F1044-R1048 WeakPolarHBondContact O-CB 3.1Å; F1044-R1048 PolarHBondContact O-N 3.3Å; D1045-R1048 PolarHBondContact O-N 3.3Å; R1048-S1050 PolarHBondContact O-N 2.77Å
1049	L	79.8	Confident	68.9	Low	66 Å²	66	109.1 Å²	109.1	35%	0.346	50%	0.502	S	S	.	.			trans	-71.6	117.6	177.2	-67.9	172.3	0	0	0	108	L1041 D1045 Y1051 P1065 A1066	L1041-L1049 HydrophobicContact CD1-CD1 4.14Å; L1041-L1049 HydrophobicContact CD2-CD1 4.14Å; D1045-L1049 HydrophobicContact CB-CD1 3.96Å; D1045-L1049 HydrophobicContact CB-CG 4.29Å; D1045-L1049 VanDerWaalsContact O-CB 3.27Å; D1045-L1049 WeakPolarHBondContact O-CB 3.4Å; D1045-L1049 WeakPolarHBondContact O-CG 3.47Å; D1045-L1049 PolarHBondContact O-N 2.98Å; L1049-Y1051 HydrophobicContact CB-CE2 4.37Å; L1049-P1065 CarbonylContact O-C 3.55Å; L1049-P1065 WeakPolarHBondContact O-CA 3.24Å; L1049-A1066 HydrophobicContact CB-CB 4.21Å; L1049-A1066 PolarHBondContact O-N 2.86Å
1050	S	77.2	Confident	66.8	Low	54 Å²	54	111.7 Å²	111.7	38%	0.378	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.4	174.1	-53.3	0	0	0	0	110	R1048 S1063 I1064	R1048-S1050 PolarHBondContact O-N 2.77Å; S1050-S1063 WeakPolarHBondContact CB-OG 3.35Å; S1050-I1064 CarbonylContact C-O 3.59Å; S1050-I1064 VanDerWaalsContact CA-O 3.24Å; S1050-I1064 WeakPolarHBondContact CA-O 3.31Å
1051	Y	76.1	Confident	65	Low	31 Å²	31	118.3 Å²	118.3	12%	0.122	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	139.1	178.7	-59.6	-96.2	0	0	0	109.4	L1049 I1064 A1066 I1069 I1077 L1080 E1081	L1049-Y1051 HydrophobicContact CB-CE2 4.37Å; Y1051-I1064 PolarHBondContact N-O 2.86Å; Y1051-I1064 PolarHBondContact O-N 2.84Å; Y1051-I1064 VanDerWaalsContact O-N 3.1Å; Y1051-A1066 HydrophobicContact CD2-CB 4.43Å; Y1051-A1066 HydrophobicContact CE2-CB 3.81Å; Y1051-I1069 HydrophobicContact CD2-CD1 3.82Å; Y1051-I1069 HydrophobicContact CG-CD1 4.1Å; Y1051-I1077 HydrophobicContact CD2-CD1 3.97Å; Y1051-I1077 HydrophobicContact CE2-CD1 3.57Å; Y1051-L1080 HydrophobicContact CD1-CB 4.11Å; Y1051-L1080 HydrophobicContact CD1-CD1 3.65Å; Y1051-L1080 HydrophobicContact CD1-CG 4.46Å; Y1051-L1080 HydrophobicContact CE1-CB 4.11Å; Y1051-L1080 HydrophobicContact CE1-CD1 4.29Å; Y1051-L1080 HydrophobicContact CG-CD1 3.81Å; Y1051-E1081 WeakPolarHBondContact CE1-OE1 3.3Å; Y1051-E1081 PolarHBondContact OH-OE1 3.4Å
1052	Y	67.4	Low	63.8	Low	166 Å²	166	119.5 Å²	119.5	65%	0.651	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85	117.5	176.2	-164	-89.5	0	0	0	109.1
1053	F	55.2	Low	63.6	Low	81 Å²	81	113.9 Å²	113.9	36%	0.355	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131	135.9	-177.1	-165	-129.2	0	0	0	111.7	N1055	F1053-N1055 WeakPolarHBondContact CD1-OD1 3.47Å; F1053-N1055 WeakPolarHBondContact CG-OD1 3.48Å; F1053-N1055 PolarHBondContact O-N 2.89Å; F1053-N1055 PolarHBondContact O-OD1 3.47Å
1054	D	51.5	Low	63.7	Low	126 Å²	126	112.3 Å²	112.3	67%	0.674	54%	0.535	S	S	*	.			trans	-89.5	88.9	174.4	-172.5	11.7	0	0	0	108.6	R1056	D1054-R1056 PolarHBondContact O-N 2.99Å
1055	N	52.2	Low	64	Low	46 Å²	46	105.8 Å²	105.8	25%	0.246	51%	0.509	C	S	.	.			trans	-77.5	116.5	-179.6	-56.2	9.8	0	0	0	107.6	F1053 Y1057	F1053-N1055 WeakPolarHBondContact CD1-OD1 3.47Å; F1053-N1055 WeakPolarHBondContact CG-OD1 3.48Å; F1053-N1055 PolarHBondContact O-N 2.89Å; F1053-N1055 PolarHBondContact O-OD1 3.47Å; N1055-Y1057 PolarHBondContact O-N 3.35Å
1056	R	51.1	Low	64.3	Low	244 Å²	244	103.5 Å²	103.5	92%	0.921	50%	0.497	S	S	*	.	S	Bend	trans	-67.7	39.3	164.3	-74.7	-171.5	-87.4	179.1	-5.8	112.7	D1054	D1054-R1056 PolarHBondContact O-N 2.99Å
1057	Y	37.8	Very low	64.3	Low	197 Å²	197	104.9 Å²	104.9	77%	0.773	50%	0.504	S	S	*	.	S	Bend	trans	-131	153.7	179.5	-74.5	-81.8	0	0	0	109.6	N1055 R1059	N1055-Y1057 PolarHBondContact O-N 3.35Å; Y1057-R1059 PolarHBondContact O-N 3.31Å
1058	S	49.2	Very low	64.6	Low	133 Å²	133	101.9 Å²	101.9	93%	0.93	49%	0.493	S	S	*	.	S	Bend	trans	-59.4	-1.6	-157.2	53.1	0	0	0	0	118.7
1059	R	41.7	Very low	64.9	Low	217 Å²	217	93.1 Å²	93.1	82%	0.819	46%	0.461	S	S	*	.	S	Bend	trans	-116.2	105	174.6	-71	-174.8	173.9	178.8	-1.3	109.3	Y1057	Y1057-R1059 PolarHBondContact O-N 3.31Å
1060	G	45.1	Very low	65.4	Low	63 Å²	63	90.9 Å²	90.9	65%	0.649	45%	0.449	S	S	*	.			trans	-61.6	159	-176.2	0	0	0	0	0	114.8	A1062	G1060-A1062 PolarHBondContact O-N 3.13Å
1061	K	48.3	Very low	65.8	Low	162 Å²	162	94.2 Å²	94.2	70%	0.704	46%	0.463	S	S	*	.	S	Bend	trans	25.5	76	161.8	-62.2	-179.5	179.5	-178.3	0	115.4
1062	A	57.9	Low	66.2	Low	45 Å²	45	98.9 Å²	98.9	37%	0.372	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.3	173.9	0	0	0	0	0	111.7	G1060 I1064	G1060-A1062 PolarHBondContact O-N 3.13Å; A1062-I1064 HydrophobicContact CB-CG1 4.4Å; A1062-I1064 PolarHBondContact O-N 2.95Å
1063	S	70.1	Confident	67.3	Low	80 Å²	80	94 Å²	94	56%	0.559	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	106.5	168	178.9	0	0	0	0	107.9	S1050	S1050-S1063 WeakPolarHBondContact CB-OG 3.35Å
1064	I	77.1	Confident	69.1	Low	27 Å²	27	90.8 Å²	90.8	14%	0.138	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.9	-171.4	-55.8	170	0	0	0	109.3	S1050 Y1051 A1062 E1068 I1069	S1050-I1064 CarbonylContact C-O 3.59Å; S1050-I1064 VanDerWaalsContact CA-O 3.24Å; S1050-I1064 WeakPolarHBondContact CA-O 3.31Å; Y1051-I1064 PolarHBondContact N-O 2.86Å; Y1051-I1064 PolarHBondContact O-N 2.84Å; Y1051-I1064 VanDerWaalsContact O-N 3.1Å; A1062-I1064 HydrophobicContact CB-CG1 4.4Å; A1062-I1064 PolarHBondContact O-N 2.95Å; I1064-E1068 HydrophobicContact CG2-CB 3.71Å; I1064-I1069 HydrophobicContact CB-CD1 4.11Å; I1064-I1069 HydrophobicContact CB-CG1 4.01Å; I1064-I1069 HydrophobicContact CG2-CD1 4.29Å; I1064-I1069 HydrophobicContact CG2-CG1 3.65Å
1065	P	84.2	Confident	71.1	Confident	25 Å²	25	85.5 Å²	85.5	16%	0.162	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	148.4	174.9	-24.9	34.9	0	0	0	113.2	L1049 F1067 E1068 I1069	L1049-P1065 CarbonylContact O-C 3.55Å; L1049-P1065 WeakPolarHBondContact O-CA 3.24Å; P1065-F1067 HydrophobicContact CB-CD1 3.55Å; P1065-F1067 HydrophobicContact CB-CE1 3.47Å; P1065-F1067 VanDerWaalsContact CB-CE1 3.47Å; P1065-F1067 HydrophobicContact CG-CD1 4.5Å; P1065-F1067 HydrophobicContact CG-CE1 3.94Å; P1065-F1067 PolarHBondContact O-N 3.29Å; P1065-E1068 PolarHBondContact O-N 3.44Å; P1065-I1069 PolarHBondContact O-N 2.78Å
1066	A	86.3	Confident	72.9	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-55.5	-38.1	-178.1	0	0	0	0	0	113	L1041 W1046 L1049 Y1051 I1069 H1070 I1077	L1041-A1066 HydrophobicContact CD1-CB 4.36Å; W1046-A1066 HydrophobicContact CE3-CB 3.92Å; W1046-A1066 HydrophobicContact CZ3-CB 4.29Å; W1046-A1066 PolarHBondContact O-N 3.39Å; L1049-A1066 HydrophobicContact CB-CB 4.21Å; L1049-A1066 PolarHBondContact O-N 2.86Å; Y1051-A1066 HydrophobicContact CD2-CB 4.43Å; Y1051-A1066 HydrophobicContact CE2-CB 3.81Å; A1066-I1069 PolarHBondContact O-N 3.38Å; A1066-H1070 VanDerWaalsContact O-CB 3.31Å; A1066-H1070 WeakPolarHBondContact O-CB 3.34Å; A1066-H1070 PolarHBondContact O-N 3.03Å; A1066-I1077 HydrophobicContact CB-CD1 4.03Å
1067	F	84.9	Confident	74.8	Confident	76 Å²	76	74.8 Å²	74.8	33%	0.333	40%	0.395	S	S	.	.	H	α-helix	trans	-65.5	-41.7	-179.2	81	-88.7	0	0	0	112.4	W1046 K1047 P1065 I1069 H1070 D1071	W1046-F1067 HydrophobicContact CB-CB 4.32Å; W1046-F1067 HydrophobicContact CE3-CB 4.1Å; W1046-F1067 PolarHBondContact O-N 2.95Å; K1047-F1067 HydrophobicContact CG-CD1 4.37Å; K1047-F1067 HydrophobicContact CG-CE1 4.46Å; P1065-F1067 HydrophobicContact CB-CD1 3.55Å; P1065-F1067 HydrophobicContact CB-CE1 3.47Å; P1065-F1067 VanDerWaalsContact CB-CE1 3.47Å; P1065-F1067 HydrophobicContact CG-CD1 4.5Å; P1065-F1067 HydrophobicContact CG-CE1 3.94Å; P1065-F1067 PolarHBondContact O-N 3.29Å; F1067-I1069 VanDerWaalsContact C-N 3.31Å; F1067-I1069 PolarHBondContact O-N 2.82Å; F1067-H1070 PolarHBondContact O-N 3.35Å; F1067-D1071 WeakPolarHBondContact O-CB 3.24Å; F1067-D1071 PolarHBondContact O-N 2.72Å
1068	E	84.2	Confident	77.5	Confident	95 Å²	95	65.4 Å²	65.4	44%	0.444	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-37	179	-65.2	-177.6	-158.9	0	0	111.4	I1064 P1065 V1072	I1064-E1068 HydrophobicContact CG2-CB 3.71Å; P1065-E1068 PolarHBondContact O-N 3.44Å; E1068-V1072 WeakPolarHBondContact O-CG2 3.36Å; E1068-V1072 PolarHBondContact O-N 2.97Å
1069	I	86.1	Confident	79.6	Confident	21 Å²	21	62 Å²	62	11%	0.108	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-45.6	175.4	-65.1	176	0	0	0	110.5	Y1051 I1064 P1065 A1066 F1067 V1072 D1073 R1076 I1077	Y1051-I1069 HydrophobicContact CD2-CD1 3.82Å; Y1051-I1069 HydrophobicContact CG-CD1 4.1Å; I1064-I1069 HydrophobicContact CB-CD1 4.11Å; I1064-I1069 HydrophobicContact CB-CG1 4.01Å; I1064-I1069 HydrophobicContact CG2-CD1 4.29Å; I1064-I1069 HydrophobicContact CG2-CG1 3.65Å; P1065-I1069 PolarHBondContact O-N 2.78Å; A1066-I1069 PolarHBondContact O-N 3.38Å; F1067-I1069 VanDerWaalsContact C-N 3.31Å; F1067-I1069 PolarHBondContact O-N 2.82Å; I1069-V1072 PolarHBondContact O-N 3.26Å; I1069-D1073 PolarHBondContact O-N 3.03Å; I1069-R1076 HydrophobicContact CG2-CB 3.62Å; I1069-R1076 HydrophobicContact CG2-CG 3.48Å; I1069-R1076 VanDerWaalsContact CG2-CG 3.48Å; I1069-I1077 HydrophobicContact CB-CD1 3.97Å; I1069-I1077 HydrophobicContact CG2-CD1 3.79Å; I1069-I1077 HydrophobicContact CG2-CG1 4.43Å
1070	H	88.8	Confident	81.9	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-69.7	-33.4	-176.5	-172.8	-103.3	0	0	0	113	C1036 R1037 W1046 A1066 F1067 V1072 D1073 P1074 I1077	C1036-H1070 PolarHBondContact O-NE2 3.49Å; R1037-H1070 PolarHBondContact O-CE1 3.11Å; R1037-H1070 VanDerWaalsContact O-CE1 3.26Å; W1046-H1070 HydrophobicContact CH2-CB 4.15Å; W1046-H1070 AromaticContact CH2-CG 3.75Å; W1046-H1070 AromaticContact CH2-ND1 3.79Å; W1046-H1070 HydrophobicContact CZ3-CB 3.69Å; W1046-H1070 AromaticContact CZ3-CG 3.83Å; A1066-H1070 VanDerWaalsContact O-CB 3.31Å; A1066-H1070 WeakPolarHBondContact O-CB 3.34Å; A1066-H1070 PolarHBondContact O-N 3.03Å; F1067-H1070 PolarHBondContact O-N 3.35Å; H1070-V1072 VanDerWaalsContact C-N 3.27Å; H1070-V1072 PolarHBondContact O-N 3.21Å; H1070-D1073 CarbonylContact O-C 3.55Å; H1070-P1074 PolarHBondContact CD2-O 3.42Å; H1070-P1074 VanDerWaalsContact CD2-O 3.23Å; H1070-P1074 PolarHBondContact NE2-O 3.38Å; H1070-P1074 WeakPolarHBondContact O-CA 3.29Å; H1070-I1077 HydrophobicContact CB-CG1 4Å
1071	D	85.7	Confident	84.1	Confident	124 Å²	124	52.2 Å²	52.2	66%	0.663	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-34.4	173.5	-81	-11.7	0	0	0	112	F1067	F1067-D1071 WeakPolarHBondContact O-CB 3.24Å; F1067-D1071 PolarHBondContact O-N 2.72Å
1072	V	86.1	Confident	86.2	Confident	129 Å²	129	44.5 Å²	44.5	78%	0.782	24%	0.241	S	C	*	.	H	α-helix	trans	-85.1	-46	179	178	0	0	0	0	112	E1068 I1069 H1070	E1068-V1072 WeakPolarHBondContact O-CG2 3.36Å; E1068-V1072 PolarHBondContact O-N 2.97Å; I1069-V1072 PolarHBondContact O-N 3.26Å; H1070-V1072 VanDerWaalsContact C-N 3.27Å; H1070-V1072 PolarHBondContact O-N 3.21Å
1073	D	90	Very high	87.6	Confident	63 Å²	63	46.1 Å²	46.1	34%	0.337	24%	0.238	S	C	.	.			trans	-136.1	100	179.2	176.1	2.7	0	0	0	109.9	I1069 H1070 C1075 R1076	I1069-D1073 PolarHBondContact O-N 3.03Å; H1070-D1073 CarbonylContact O-C 3.55Å; D1073-C1075 PolarHBondContact O-N 3.46Å; D1073-C1075 VanDerWaalsContact O-N 3.09Å; D1073-C1075 WeakPolarHBondContact OD1-CB 3.14Å; D1073-C1075 PolarHBondContact OD1-N 3.27Å; D1073-R1076 HydrophobicContact CB-CB 3.86Å; D1073-R1076 VanDerWaalsContact O-CB 3.28Å; D1073-R1076 WeakPolarHBondContact O-CB 3.1Å; D1073-R1076 PolarHBondContact O-N 2.88Å; D1073-R1076 PolarHBondContact OD1-N 2.67Å
1074	P	92.2	Very high	88.4	Confident	13 Å²	13	46 Å²	46	8%	0.084	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.1	-178.5	-27.2	34.9	0	0	0	114.7	C1036 R1037 H1070 A1106	C1036-P1074 WeakPolarHBondContact CB-O 3.5Å; R1037-P1074 HydrophobicContact CB-CB 4.02Å; R1037-P1074 HydrophobicContact CG-CB 4.44Å; H1070-P1074 PolarHBondContact CD2-O 3.42Å; H1070-P1074 VanDerWaalsContact CD2-O 3.23Å; H1070-P1074 PolarHBondContact NE2-O 3.38Å; H1070-P1074 WeakPolarHBondContact O-CA 3.29Å; P1074-A1106 HydrophobicContact CB-CB 4.01Å; P1074-A1106 HydrophobicContact CG-CB 4.23Å
1075	C	93.8	Very high	89	Confident	16 Å²	16	46.2 Å²	46.2	11%	0.108	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.5	-179.3	-68.8	0	0	0	0	112.6	C1036 D1073 I1077 M1078 F1079 L1104 A1106	C1036-C1075 HydrophobicContact CB-CB 4.41Å; D1073-C1075 PolarHBondContact O-N 3.46Å; D1073-C1075 VanDerWaalsContact O-N 3.09Å; D1073-C1075 WeakPolarHBondContact OD1-CB 3.14Å; D1073-C1075 PolarHBondContact OD1-N 3.27Å; C1075-I1077 PolarHBondContact O-N 3.05Å; C1075-M1078 PolarHBondContact O-N 2.78Å; C1075-F1079 PolarHBondContact O-N 2.96Å; C1075-L1104 HydrophobicContact CB-CB 3.84Å; C1075-L1104 HydrophobicContact CB-CD1 4.25Å; C1075-L1104 WeakPolarHBondContact O-CD1 3.2Å; C1075-A1106 PolarHBondContact SG-N 2.87Å; C1075-A1106 VanDerWaalsContact SG-N 3.39Å
1076	R	90.9	Very high	89.1	Confident	65 Å²	65	45.7 Å²	45.7	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-40.9	-165.2	-167.3	63.6	179.8	167.7	4.1	113.7	I1069 D1073 M1078 F1079 L1080	I1069-R1076 HydrophobicContact CG2-CB 3.62Å; I1069-R1076 HydrophobicContact CG2-CG 3.48Å; I1069-R1076 VanDerWaalsContact CG2-CG 3.48Å; D1073-R1076 HydrophobicContact CB-CB 3.86Å; D1073-R1076 VanDerWaalsContact O-CB 3.28Å; D1073-R1076 WeakPolarHBondContact O-CB 3.1Å; D1073-R1076 PolarHBondContact O-N 2.88Å; D1073-R1076 PolarHBondContact OD1-N 2.67Å; R1076-M1078 VanDerWaalsContact C-N 3.34Å; R1076-M1078 PolarHBondContact O-N 3.01Å; R1076-F1079 WeakPolarHBondContact O-CB 3.45Å; R1076-F1079 PolarHBondContact O-N 2.93Å; R1076-L1080 HydrophobicContact CG-CD1 4.22Å; R1076-L1080 WeakPolarHBondContact O-CG 3.24Å; R1076-L1080 PolarHBondContact O-N 2.86Å
1077	I	91.3	Very high	88.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-46.6	178.1	-59.7	-57.7	0	0	0	110.1	P1002 I1039 Y1051 A1066 I1069 H1070 C1075 F1079 L1080 E1081	P1002-I1077 HydrophobicContact CB-CG2 4.08Å; P1002-I1077 HydrophobicContact CG-CG2 3.9Å; I1039-I1077 HydrophobicContact CD1-CB 3.83Å; I1039-I1077 HydrophobicContact CD1-CG2 3.87Å; Y1051-I1077 HydrophobicContact CD2-CD1 3.97Å; Y1051-I1077 HydrophobicContact CE2-CD1 3.57Å; A1066-I1077 HydrophobicContact CB-CD1 4.03Å; I1069-I1077 HydrophobicContact CB-CD1 3.97Å; I1069-I1077 HydrophobicContact CG2-CD1 3.79Å; I1069-I1077 HydrophobicContact CG2-CG1 4.43Å; H1070-I1077 HydrophobicContact CB-CG1 4Å; C1075-I1077 PolarHBondContact O-N 3.05Å; I1077-F1079 VanDerWaalsContact C-N 3.34Å; I1077-F1079 PolarHBondContact O-N 2.73Å; I1077-L1080 PolarHBondContact O-N 2.9Å; I1077-E1081 HydrophobicContact CG2-CG 4.5Å; I1077-E1081 WeakPolarHBondContact O-CG 3.35Å; I1077-E1081 PolarHBondContact O-N 3.15Å
1078	M	94	Very high	87.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-44.1	175.5	-80	-50.9	-41.1	0	0	112.5	P1002 L1005 I1009 C1036 I1039 C1075 R1076 L1080 E1081 V1082 L1104	P1002-M1078 WeakPolarHBondContact CA-SD 3.39Å; P1002-M1078 HydrophobicContact CB-CE 4.29Å; P1002-M1078 HydrophobicContact CB-CG 4.44Å; P1002-M1078 HydrophobicContact CB-SD 3.22Å; P1002-M1078 WeakPolarHBondContact CB-SD 3.39Å; L1005-M1078 HydrophobicContact CB-CE 4.08Å; L1005-M1078 HydrophobicContact CD2-CE 3.91Å; L1005-M1078 HydrophobicContact CD2-SD 4.13Å; L1005-M1078 HydrophobicContact CG-CE 4.33Å; I1009-M1078 HydrophobicContact CD1-CE 3.95Å; C1036-M1078 HydrophobicContact CB-CG 4.5Å; I1039-M1078 HydrophobicContact CG2-CG 3.94Å; I1039-M1078 HydrophobicContact CG2-SD 4.01Å; C1075-M1078 PolarHBondContact O-N 2.78Å; R1076-M1078 VanDerWaalsContact C-N 3.34Å; R1076-M1078 PolarHBondContact O-N 3.01Å; M1078-L1080 VanDerWaalsContact C-N 3.34Å; M1078-L1080 PolarHBondContact O-N 3.04Å; M1078-E1081 PolarHBondContact O-N 3.49Å; M1078-V1082 HydrophobicContact CE-CG2 4Å; M1078-V1082 VanDerWaalsContact O-CG2 3.25Å; M1078-V1082 WeakPolarHBondContact O-CG2 3.49Å; M1078-V1082 PolarHBondContact O-N 2.99Å; M1078-L1104 HydrophobicContact CB-CD1 4.12Å; M1078-L1104 HydrophobicContact CB-CD2 4.22Å
1079	F	93.2	Very high	85.4	Confident	62 Å²	62	47.6 Å²	47.6	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-57.6	-48.1	177.1	-179.3	-90.5	0	0	0	111.6	C1075 R1076 I1077 V1082 Y1083 I1099 L1104	C1075-F1079 PolarHBondContact O-N 2.96Å; R1076-F1079 WeakPolarHBondContact O-CB 3.45Å; R1076-F1079 PolarHBondContact O-N 2.93Å; I1077-F1079 VanDerWaalsContact C-N 3.34Å; I1077-F1079 PolarHBondContact O-N 2.73Å; F1079-V1082 PolarHBondContact O-N 3.41Å; F1079-Y1083 HydrophobicContact CE1-CD2 4.43Å; F1079-Y1083 HydrophobicContact CZ-CD2 4.33Å; F1079-Y1083 WeakPolarHBondContact O-CB 3.5Å; F1079-Y1083 PolarHBondContact O-N 3.44Å; F1079-I1099 HydrophobicContact CD2-CG1 4.32Å; F1079-I1099 HydrophobicContact CE2-CD1 4.2Å; F1079-I1099 HydrophobicContact CE2-CG1 3.59Å; F1079-I1099 HydrophobicContact CZ-CG1 4.03Å; F1079-L1104 HydrophobicContact CB-CD1 3.64Å; F1079-L1104 HydrophobicContact CD2-CD1 4.36Å
1080	L	89	Confident	83.5	Confident	39 Å²	39	56.4 Å²	56.4	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-42.4	-177.7	-68.5	172.3	0	0	0	111.9	Y1051 R1076 I1077 M1078 Y1083 S1084	Y1051-L1080 HydrophobicContact CD1-CB 4.11Å; Y1051-L1080 HydrophobicContact CD1-CD1 3.65Å; Y1051-L1080 HydrophobicContact CD1-CG 4.46Å; Y1051-L1080 HydrophobicContact CE1-CB 4.11Å; Y1051-L1080 HydrophobicContact CE1-CD1 4.29Å; Y1051-L1080 HydrophobicContact CG-CD1 3.81Å; R1076-L1080 HydrophobicContact CG-CD1 4.22Å; R1076-L1080 WeakPolarHBondContact O-CG 3.24Å; R1076-L1080 PolarHBondContact O-N 2.86Å; I1077-L1080 PolarHBondContact O-N 2.9Å; M1078-L1080 VanDerWaalsContact C-N 3.34Å; M1078-L1080 PolarHBondContact O-N 3.04Å; L1080-Y1083 PolarHBondContact O-N 3.08Å; L1080-S1084 WeakPolarHBondContact O-CB 3.28Å; L1080-S1084 PolarHBondContact O-N 2.83Å
1081	E	91.4	Very high	82.1	Confident	35 Å²	35	59.1 Å²	59.1	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-45.5	176.8	-70.1	-56.8	148.1	0	0	111.9	P1002 A1003 A1006 Y1051 I1077 M1078 S1084 A1085	P1002-E1081 HydrophobicContact CB-CG 4.03Å; P1002-E1081 HydrophobicContact CG-CG 4.39Å; A1003-E1081 HydrophobicContact CB-CG 4.45Å; A1006-E1081 HydrophobicContact CB-CB 3.69Å; A1006-E1081 WeakPolarHBondContact CB-O 3.35Å; Y1051-E1081 WeakPolarHBondContact CE1-OE1 3.3Å; Y1051-E1081 PolarHBondContact OH-OE1 3.4Å; I1077-E1081 HydrophobicContact CG2-CG 4.5Å; I1077-E1081 WeakPolarHBondContact O-CG 3.35Å; I1077-E1081 PolarHBondContact O-N 3.15Å; M1078-E1081 PolarHBondContact O-N 3.49Å; E1081-S1084 WeakPolarHBondContact O-CB 3.26Å; E1081-S1084 PolarHBondContact O-N 3.06Å; E1081-A1085 WeakPolarHBondContact O-CB 3.37Å; E1081-A1085 PolarHBondContact O-N 2.83Å
1082	V	92.7	Very high	81.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-44.2	176.8	177.6	0	0	0	0	110.8	A1006 I1009 L1013 M1078 F1079 S1084 A1085 L1086 I1099 L1102	A1006-V1082 HydrophobicContact CB-CB 4.43Å; A1006-V1082 HydrophobicContact CB-CG2 3.91Å; I1009-V1082 HydrophobicContact CB-CG2 4.19Å; I1009-V1082 HydrophobicContact CD1-CG2 3.76Å; I1009-V1082 HydrophobicContact CG2-CG1 3.77Å; I1009-V1082 HydrophobicContact CG2-CG2 3.98Å; L1013-V1082 HydrophobicContact CD1-CG1 3.7Å; M1078-V1082 HydrophobicContact CE-CG2 4Å; M1078-V1082 VanDerWaalsContact O-CG2 3.25Å; M1078-V1082 WeakPolarHBondContact O-CG2 3.49Å; M1078-V1082 PolarHBondContact O-N 2.99Å; F1079-V1082 PolarHBondContact O-N 3.41Å; V1082-S1084 VanDerWaalsContact C-N 3.29Å; V1082-S1084 PolarHBondContact O-N 3.15Å; V1082-A1085 PolarHBondContact O-N 3.22Å; V1082-L1086 WeakPolarHBondContact O-CG 3.45Å; V1082-L1086 PolarHBondContact O-N 3.47Å; V1082-L1086 VanDerWaalsContact O-N 3.09Å; V1082-I1099 HydrophobicContact CB-CD1 4.44Å; V1082-I1099 HydrophobicContact CG1-CD1 3.92Å; V1082-L1102 HydrophobicContact CB-CD2 3.86Å; V1082-L1102 HydrophobicContact CG1-CD2 3.77Å; V1082-L1102 HydrophobicContact CG2-CD2 4.02Å
1083	Y	88.5	Confident	80.2	Confident	79 Å²	79	56.1 Å²	56.1	31%	0.31	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-41.8	178.1	-168.3	-93.1	0	0	0	111.4	F1079 L1080 R1095 I1099	F1079-Y1083 HydrophobicContact CE1-CD2 4.43Å; F1079-Y1083 HydrophobicContact CZ-CD2 4.33Å; F1079-Y1083 WeakPolarHBondContact O-CB 3.5Å; F1079-Y1083 PolarHBondContact O-N 3.44Å; L1080-Y1083 PolarHBondContact O-N 3.08Å; Y1083-R1095 HydrophobicContact CD2-CG 4.37Å; Y1083-R1095 HydrophobicContact CE2-CG 4Å; Y1083-R1095 PolarHBondContact O-NE 2.68Å; Y1083-R1095 PolarHBondContact O-NH2 2.81Å; Y1083-I1099 HydrophobicContact CD2-CB 4.45Å; Y1083-I1099 HydrophobicContact CD2-CD1 4.28Å; Y1083-I1099 HydrophobicContact CD2-CG1 4.14Å
1084	S	85.5	Confident	79.4	Confident	76 Å²	76	54.5 Å²	54.5	53%	0.531	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-49.1	173.6	-171.9	0	0	0	0	111.7	L1080 E1081 V1082 L1086 G1087 R1095	L1080-S1084 WeakPolarHBondContact O-CB 3.28Å; L1080-S1084 PolarHBondContact O-N 2.83Å; E1081-S1084 WeakPolarHBondContact O-CB 3.26Å; E1081-S1084 PolarHBondContact O-N 3.06Å; V1082-S1084 VanDerWaalsContact C-N 3.29Å; V1082-S1084 PolarHBondContact O-N 3.15Å; S1084-L1086 PolarHBondContact O-N 2.92Å; S1084-G1087 PolarHBondContact O-N 2.86Å; S1084-R1095 PolarHBondContact O-NH2 3.02Å
1085	A	89.6	Confident	78.8	Confident	32 Å²	32	55.5 Å²	55.5	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-24.1	-178	0	0	0	0	0	114.3	A1006 A1010 E1081 V1082 G1087	A1006-A1085 HydrophobicContact CB-CB 4.02Å; A1010-A1085 HydrophobicContact CB-CB 3.85Å; E1081-A1085 WeakPolarHBondContact O-CB 3.37Å; E1081-A1085 PolarHBondContact O-N 2.83Å; V1082-A1085 PolarHBondContact O-N 3.22Å; A1085-G1087 PolarHBondContact O-N 3.15Å
1086	L	85.9	Confident	78	Confident	14 Å²	14	63 Å²	63	7%	0.073	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.4	173.9	-71.6	170.1	0	0	0	113.9	A1010 L1013 R1014 V1082 S1084 R1095 N1098 I1099	A1010-L1086 HydrophobicContact CB-CD2 3.96Å; A1010-L1086 HydrophobicContact CB-CG 4.33Å; L1013-L1086 HydrophobicContact CB-CD2 4.21Å; L1013-L1086 HydrophobicContact CD1-CD1 4.47Å; R1014-L1086 HydrophobicContact CG-CD2 3.99Å; V1082-L1086 WeakPolarHBondContact O-CG 3.45Å; V1082-L1086 PolarHBondContact O-N 3.47Å; V1082-L1086 VanDerWaalsContact O-N 3.09Å; S1084-L1086 PolarHBondContact O-N 2.92Å; L1086-R1095 HydrophobicContact CB-CG 3.91Å; L1086-R1095 HydrophobicContact CD1-CG 4.15Å; L1086-N1098 HydrophobicContact CD1-CB 4.07Å; L1086-N1098 HydrophobicContact CD2-CB 4.02Å; L1086-I1099 HydrophobicContact CD1-CB 4.29Å; L1086-I1099 HydrophobicContact CD1-CD1 3.95Å
1087	G	72.8	Confident	77.5	Confident	34 Å²	34	64.5 Å²	64.5	35%	0.351	34%	0.344	S	S	.	.			trans	71.8	157.5	172.3	0	0	0	0	0	119.2	S1084 A1085 R1095	S1084-G1087 PolarHBondContact O-N 2.86Å; A1085-G1087 PolarHBondContact O-N 3.15Å; G1087-R1095 PolarHBondContact O-NE 3.04Å; G1087-R1095 PolarHBondContact O-NH2 3.13Å
1088	G	57.2	Low	77.3	Confident	51 Å²	51	65.4 Å²	65.4	53%	0.526	35%	0.349	S	S	.	.			trans	74.8	119.8	149.2	0	0	0	0	0	121.6	F1090	G1088-F1090 PolarHBondContact O-N 2.68Å
1089	V	47.7	Very low	77	Confident	127 Å²	127	66.4 Å²	66.4	77%	0.77	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.7	171.6	-174.2	0	0	0	0	112.7
1090	F	46.4	Very low	76.7	Confident	206 Å²	206	69.2 Å²	69.2	90%	0.904	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	7.8	-172.3	-64.2	-74.3	0	0	0	115.6	G1088	G1088-F1090 PolarHBondContact O-N 2.68Å
1091	N	60	Low	76.8	Confident	76 Å²	76	68 Å²	68	41%	0.406	36%	0.361	S	S	.	.			trans	-144.3	48.4	-176.3	-136.7	-26.5	0	0	0	114.5	S1093 T1094 R1095	N1091-S1093 PolarHBondContact O-N 3.34Å; N1091-T1094 WeakPolarHBondContact CB-OG1 3.49Å; N1091-T1094 PolarHBondContact O-N 2.87Å; N1091-T1094 PolarHBondContact O-OG1 2.82Å; N1091-T1094 WeakPolarHBondContact OD1-CG2 3.29Å; N1091-T1094 PolarHBondContact OD1-OG1 2.8Å; N1091-R1095 PolarHBondContact O-N 2.7Å
1092	L	64.7	Low	77	Confident	116 Å²	116	67.2 Å²	67.2	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-55.8	-34.3	-177.9	-72	165.9	0	0	0	113.9	R1096	L1092-R1096 PolarHBondContact O-N 3.01Å; L1092-R1096 VanDerWaalsContact O-N 3.09Å
1093	S	68	Low	77.1	Confident	75 Å²	75	69.3 Å²	69.3	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-72.1	-34.8	-176.3	66.5	0	0	0	0	113.7	N1091 R1097	N1091-S1093 PolarHBondContact O-N 3.34Å; S1093-R1097 PolarHBondContact O-N 2.67Å; S1093-R1097 PolarHBondContact O-NE 3.26Å
1094	T	72.7	Confident	77.4	Confident	28 Å²	28	67.3 Å²	67.3	17%	0.172	36%	0.362	C	S	.	.	H	α-helix	trans	-77.1	-40.2	175.9	48.6	0	0	0	0	110.8	N1091 R1096 R1097 N1098	N1091-T1094 WeakPolarHBondContact CB-OG1 3.49Å; N1091-T1094 PolarHBondContact O-N 2.87Å; N1091-T1094 PolarHBondContact O-OG1 2.82Å; N1091-T1094 WeakPolarHBondContact OD1-CG2 3.29Å; N1091-T1094 PolarHBondContact OD1-OG1 2.8Å; T1094-R1096 VanDerWaalsContact C-N 3.34Å; T1094-R1096 PolarHBondContact O-N 3.38Å; T1094-R1097 PolarHBondContact O-N 2.89Å; T1094-N1098 WeakPolarHBondContact O-CB 3.45Å; T1094-N1098 PolarHBondContact O-N 3.47Å; T1094-N1098 PolarHBondContact O-ND2 2.94Å
1095	R	79.6	Confident	77.9	Confident	35 Å²	35	65.3 Å²	65.3	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-42.7	176.2	-171.6	-177.5	-94.6	-164	-18.1	112.1	Y1083 S1084 L1086 G1087 N1091 N1098 I1099	Y1083-R1095 HydrophobicContact CD2-CG 4.37Å; Y1083-R1095 HydrophobicContact CE2-CG 4Å; Y1083-R1095 PolarHBondContact O-NE 2.68Å; Y1083-R1095 PolarHBondContact O-NH2 2.81Å; S1084-R1095 PolarHBondContact O-NH2 3.02Å; L1086-R1095 HydrophobicContact CB-CG 3.91Å; L1086-R1095 HydrophobicContact CD1-CG 4.15Å; G1087-R1095 PolarHBondContact O-NE 3.04Å; G1087-R1095 PolarHBondContact O-NH2 3.13Å; N1091-R1095 PolarHBondContact O-N 2.7Å; R1095-N1098 PolarHBondContact O-N 2.86Å; R1095-I1099 PolarHBondContact O-N 2.73Å
1096	R	77.1	Confident	78	Confident	174 Å²	174	64.9 Å²	64.9	66%	0.657	34%	0.341	S	S	*	.	H	α-helix	trans	-61.1	-45.1	176.2	-173.6	176.3	176.2	173.1	2	112.5	L1092 T1094 N1098 I1099 E1100	L1092-R1096 PolarHBondContact O-N 3.01Å; L1092-R1096 VanDerWaalsContact O-N 3.09Å; T1094-R1096 VanDerWaalsContact C-N 3.34Å; T1094-R1096 PolarHBondContact O-N 3.38Å; R1096-N1098 PolarHBondContact O-N 2.82Å; R1096-I1099 WeakPolarHBondContact O-CG2 3.41Å; R1096-I1099 PolarHBondContact O-N 3.24Å; R1096-E1100 IonicContact NE-OE1 3.81Å; R1096-E1100 WeakPolarHBondContact O-CG 3.23Å; R1096-E1100 PolarHBondContact O-N 2.9Å
1097	R	79.5	Confident	78.3	Confident	96 Å²	96	67.2 Å²	67.2	36%	0.362	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-37.3	176.8	-74.5	-177.5	-74.5	160.3	-5.3	112.9	S1093 T1094	S1093-R1097 PolarHBondContact O-N 2.67Å; S1093-R1097 PolarHBondContact O-NE 3.26Å; T1094-R1097 PolarHBondContact O-N 2.89Å
1098	N	87.3	Confident	79	Confident	19 Å²	19	70.8 Å²	70.8	10%	0.102	37%	0.365	C	S	.	.	H	α-helix	trans	-69.2	-38.8	179	-67.7	-19.9	0	0	0	112.1	L1013 L1086 T1094 R1095 R1096 E1100 R1101	L1013-N1098 HydrophobicContact CB-CB 4.43Å; L1013-N1098 PolarHBondContact O-OD1 3.37Å; L1086-N1098 HydrophobicContact CD1-CB 4.07Å; L1086-N1098 HydrophobicContact CD2-CB 4.02Å; T1094-N1098 WeakPolarHBondContact O-CB 3.45Å; T1094-N1098 PolarHBondContact O-N 3.47Å; T1094-N1098 PolarHBondContact O-ND2 2.94Å; R1095-N1098 PolarHBondContact O-N 2.86Å; R1096-N1098 PolarHBondContact O-N 2.82Å; N1098-E1100 VanDerWaalsContact C-N 3.35Å; N1098-R1101 PolarHBondContact O-N 2.72Å; N1098-R1101 PolarHBondContact OD1-NH2 3.28Å
1099	I	89	Confident	80.5	Confident	21 Å²	21	74 Å²	74	11%	0.108	37%	0.374	C	S	.	.	H	α-helix	trans	-73	-26.3	-177.8	-157.6	73.2	0	0	0	112.8	F1079 V1082 Y1083 L1086 R1095 R1096 R1101 L1102	F1079-I1099 HydrophobicContact CD2-CG1 4.32Å; F1079-I1099 HydrophobicContact CE2-CD1 4.2Å; F1079-I1099 HydrophobicContact CE2-CG1 3.59Å; F1079-I1099 HydrophobicContact CZ-CG1 4.03Å; V1082-I1099 HydrophobicContact CB-CD1 4.44Å; V1082-I1099 HydrophobicContact CG1-CD1 3.92Å; Y1083-I1099 HydrophobicContact CD2-CB 4.45Å; Y1083-I1099 HydrophobicContact CD2-CD1 4.28Å; Y1083-I1099 HydrophobicContact CD2-CG1 4.14Å; L1086-I1099 HydrophobicContact CD1-CB 4.29Å; L1086-I1099 HydrophobicContact CD1-CD1 3.95Å; R1095-I1099 PolarHBondContact O-N 2.73Å; R1096-I1099 WeakPolarHBondContact O-CG2 3.41Å; R1096-I1099 PolarHBondContact O-N 3.24Å; I1099-R1101 PolarHBondContact O-N 3.35Å; I1099-R1101 VanDerWaalsContact O-N 3.09Å; I1099-L1102 HydrophobicContact CD1-CB 4.34Å; I1099-L1102 HydrophobicContact CD1-CD2 3.76Å; I1099-L1102 WeakPolarHBondContact O-CB 3.1Å; I1099-L1102 PolarHBondContact O-N 3.32Å
1100	E	86.9	Confident	82.5	Confident	120 Å²	120	69.4 Å²	69.4	56%	0.561	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.5	174.4	-74.3	167.1	-174.4	0	0	113.2	R1096 N1098	R1096-E1100 IonicContact NE-OE1 3.81Å; R1096-E1100 WeakPolarHBondContact O-CG 3.23Å; R1096-E1100 PolarHBondContact O-N 2.9Å; N1098-E1100 VanDerWaalsContact C-N 3.35Å
1101	R	90.5	Very high	84.3	Confident	14 Å²	14	61.7 Å²	61.7	5%	0.053	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.5	177	-67.8	-172	-78.8	-101.9	8.5	114.2	L1013 D1026 G1028 H1030 V1031 N1098 I1099 H1103	L1013-R1101 HydrophobicContact CD2-CB 3.86Å; L1013-R1101 PolarHBondContact O-NH2 3.08Å; D1026-R1101 IonicContact OD1-CZ 2.78Å; D1026-R1101 IonicContact OD1-NH1 3.52Å; D1026-R1101 PolarHBondContact OD1-NH1 3.01Å; D1026-R1101 IonicContact OD1-NH2 3.69Å; D1026-R1101 PolarHBondContact OD1-NH2 3.08Å; D1026-R1101 IonicContact OD2-NH1 3.72Å; D1026-R1101 PolarHBondContact OD2-NH1 3.47Å; G1028-R1101 WeakPolarHBondContact O-CD 3.39Å; G1028-R1101 PolarHBondContact O-NE 2.81Å; H1030-R1101 WeakPolarHBondContact CA-O 3.39Å; V1031-R1101 PolarHBondContact N-O 3.09Å; N1098-R1101 PolarHBondContact O-N 2.72Å; N1098-R1101 PolarHBondContact OD1-NH2 3.28Å; I1099-R1101 PolarHBondContact O-N 3.35Å; I1099-R1101 VanDerWaalsContact O-N 3.09Å; R1101-H1103 PolarHBondContact O-CD2 2.89Å; R1101-H1103 VanDerWaalsContact O-CD2 3.27Å; R1101-H1103 PolarHBondContact O-NE2 3.02Å
1102	L	95.2	Very high	85.1	Confident	19 Å²	19	66 Å²	66	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.7	174.6	-177.2	67.6	0	0	0	110	I1009 L1013 V1031 V1033 V1082 I1099 L1104	I1009-L1102 HydrophobicContact CG2-CD1 3.76Å; L1013-L1102 HydrophobicContact CD1-CB 4.12Å; L1013-L1102 HydrophobicContact CD1-CD1 4.44Å; L1013-L1102 HydrophobicContact CD2-CB 4.49Å; V1031-L1102 HydrophobicContact CB-CD1 4.45Å; V1033-L1102 HydrophobicContact CG2-CD1 3.96Å; V1082-L1102 HydrophobicContact CB-CD2 3.86Å; V1082-L1102 HydrophobicContact CG1-CD2 3.77Å; V1082-L1102 HydrophobicContact CG2-CD2 4.02Å; I1099-L1102 HydrophobicContact CD1-CB 4.34Å; I1099-L1102 HydrophobicContact CD1-CD2 3.76Å; I1099-L1102 WeakPolarHBondContact O-CB 3.1Å; I1099-L1102 PolarHBondContact O-N 3.32Å; L1102-L1104 HydrophobicContact CD1-CD2 3.82Å; L1102-L1104 HydrophobicContact CD2-CD1 4Å; L1102-L1104 HydrophobicContact CD2-CD2 3.92Å; L1102-L1104 HydrophobicContact CD2-CG 3.98Å; L1102-L1104 HydrophobicContact CG-CD1 4.5Å; L1102-L1104 HydrophobicContact CG-CD2 3.78Å; L1102-L1104 HydrophobicContact CG-CG 3.93Å
1103	H	94.9	Very high	85.9	Confident	44 Å²	44	65.9 Å²	65.9	20%	0.204	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.9	176.2	-52.8	-86.7	0	0	0	107.9	W992 H1030 V1031 I1032 V1033 R1101 L1114	W992-H1103 AromaticContact CZ3-CD2 3.99Å; W992-H1103 AromaticContact CZ3-NE2 3.79Å; H1030-H1103 AromaticContact CE1-NE2 3.97Å; H1030-H1103 AromaticContact ND1-NE2 3.12Å; H1030-H1103 PolarHBondContact ND1-NE2 2.99Å; H1030-H1103 VanDerWaalsContact ND1-NE2 3.12Å; V1031-H1103 PolarHBondContact O-N 2.62Å; I1032-H1103 CarbonylContact C-O 3.57Å; I1032-H1103 WeakPolarHBondContact CA-O 3.03Å; I1032-H1103 HydrophobicContact CB-CB 4.4Å; I1032-H1103 HydrophobicContact CG1-CB 3.97Å; I1032-H1103 HydrophobicContact CG2-CB 4.47Å; V1033-H1103 PolarHBondContact N-O 2.78Å; R1101-H1103 PolarHBondContact O-CD2 2.89Å; R1101-H1103 VanDerWaalsContact O-CD2 3.27Å; R1101-H1103 PolarHBondContact O-NE2 3.02Å; H1103-L1114 HydrophobicContact CB-CD1 4.4Å
1104	L	95.6	Very high	86.7	Confident	37 Å²	37	63 Å²	63	19%	0.194	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.1	-178.3	-59.1	178.9	0	0	0	110.3	V1033 C1075 M1078 F1079 L1102	V1033-L1104 HydrophobicContact CB-CD2 3.64Å; V1033-L1104 HydrophobicContact CG1-CD2 4.35Å; V1033-L1104 HydrophobicContact CG2-CD2 3.87Å; V1033-L1104 CarbonylContact O-C 3.31Å; V1033-L1104 WeakPolarHBondContact O-CA 3.35Å; C1075-L1104 HydrophobicContact CB-CB 3.84Å; C1075-L1104 HydrophobicContact CB-CD1 4.25Å; C1075-L1104 WeakPolarHBondContact O-CD1 3.2Å; M1078-L1104 HydrophobicContact CB-CD1 4.12Å; M1078-L1104 HydrophobicContact CB-CD2 4.22Å; F1079-L1104 HydrophobicContact CB-CD1 3.64Å; F1079-L1104 HydrophobicContact CD2-CD1 4.36Å; L1102-L1104 HydrophobicContact CD1-CD2 3.82Å; L1102-L1104 HydrophobicContact CD2-CD1 4Å; L1102-L1104 HydrophobicContact CD2-CD2 3.92Å; L1102-L1104 HydrophobicContact CD2-CG 3.98Å; L1102-L1104 HydrophobicContact CG-CD1 4.5Å; L1102-L1104 HydrophobicContact CG-CD2 3.78Å; L1102-L1104 HydrophobicContact CG-CG 3.93Å
1105	L	95.3	Very high	86.9	Confident	33 Å²	33	65.7 Å²	65.7	17%	0.173	32%	0.321	C	S	.	.			trans	-122.4	134.3	178.5	-54.6	172.3	0	0	0	109.3	I1032 V1033 Y1034 N1035 C1036 I1110 P1111	I1032-L1105 HydrophobicContact CG2-CD1 4.06Å; V1033-L1105 PolarHBondContact O-N 3.05Å; Y1034-L1105 CarbonylContact C-O 3.59Å; N1035-L1105 PolarHBondContact N-O 2.95Å; C1036-L1105 WeakPolarHBondContact CB-O 3.33Å; C1036-L1105 PolarHBondContact N-O 3.13Å; C1036-L1105 PolarHBondContact SG-O 3.43Å; L1105-I1110 HydrophobicContact CD1-CB 4.21Å; L1105-I1110 HydrophobicContact CD1-CG1 3.99Å; L1105-I1110 HydrophobicContact CD1-CG2 4.11Å; L1105-P1111 HydrophobicContact CD2-CG 4.47Å
1106	A	91.7	Very high	86.7	Confident	23 Å²	23	71.4 Å²	71.4	19%	0.19	35%	0.347	C	S	.	.	S	Bend	trans	-68.3	-38	-175.6	0	0	0	0	0	111.9	N1035 C1036 R1037 P1074 C1075	N1035-A1106 CarbonylContact C-O 3.42Å; N1035-A1106 VanDerWaalsContact C-O 3.23Å; N1035-A1106 WeakPolarHBondContact CA-O 3.32Å; C1036-A1106 PolarHBondContact N-O 3.19Å; R1037-A1106 VanDerWaalsContact CB-O 3.29Å; R1037-A1106 WeakPolarHBondContact CB-O 3.48Å; R1037-A1106 PolarHBondContact N-O 2.93Å; P1074-A1106 HydrophobicContact CB-CB 4.01Å; P1074-A1106 HydrophobicContact CG-CB 4.23Å; C1075-A1106 PolarHBondContact SG-N 2.87Å; C1075-A1106 VanDerWaalsContact SG-N 3.39Å
1107	D	92.7	Very high	86.7	Confident	63 Å²	63	65.2 Å²	65.2	34%	0.337	33%	0.327	S	S	.	.	S	Bend	trans	-126	-171.2	-169.4	-57.6	-62.4	0	0	0	110.1	N1035 R1037	N1035-D1107 PolarHBondContact N-O 3.1Å; N1035-D1107 VanDerWaalsContact N-O 3.12Å; R1037-D1107 IonicContact CZ-OD1 3.7Å; R1037-D1107 IonicContact CZ-OD2 3.88Å; R1037-D1107 IonicContact NE-OD1 2.77Å; R1037-D1107 PolarHBondContact NE-OD1 2.92Å; R1037-D1107 IonicContact NE-OD2 2.98Å; R1037-D1107 IonicContact NH2-OD1 2.7Å; R1037-D1107 IonicContact NH2-OD2 2.84Å; R1037-D1107 PolarHBondContact NH2-OD2 3.3Å
1108	D	88	Confident	86.8	Confident	110 Å²	110	62.7 Å²	62.7	59%	0.588	32%	0.322	S	S	*	.	S	Bend	trans	-85	-11.2	-172.4	59.3	-9.1	0	0	0	115	Y1034 N1035 I1110	Y1034-D1108 HydrophobicContact CD2-CB 4.39Å; N1035-D1108 WeakPolarHBondContact OD1-CB 3.5Å; N1035-D1108 PolarHBondContact OD1-N 3.38Å; D1108-I1110 PolarHBondContact O-N 2.95Å; D1108-I1110 VanDerWaalsContact O-N 3.12Å
1109	V	88.5	Confident	86.4	Confident	117 Å²	117	65.2 Å²	65.2	71%	0.709	34%	0.34	S	S	*	.			trans	-75.2	102.6	177.2	-176.2	0	0	0	0	110.1
1110	I	88.9	Confident	86.2	Confident	31 Å²	31	67.2 Å²	67.2	16%	0.159	35%	0.351	C	S	.	.			trans	-90.3	121.1	176	-57.9	157.5	0	0	0	109.3	L994 Y1034 L1105 D1108 E1112 L1114 L1115	L994-I1110 HydrophobicContact CD1-CD1 3.66Å; L994-I1110 HydrophobicContact CD2-CD1 4.02Å; L994-I1110 HydrophobicContact CG-CD1 4.45Å; Y1034-I1110 HydrophobicContact CD1-CD1 4.06Å; Y1034-I1110 HydrophobicContact CE1-CD1 4.35Å; Y1034-I1110 HydrophobicContact CG-CD1 4.19Å; Y1034-I1110 HydrophobicContact CG-CG1 4.31Å; L1105-I1110 HydrophobicContact CD1-CB 4.21Å; L1105-I1110 HydrophobicContact CD1-CG1 3.99Å; L1105-I1110 HydrophobicContact CD1-CG2 4.11Å; D1108-I1110 PolarHBondContact O-N 2.95Å; D1108-I1110 VanDerWaalsContact O-N 3.12Å; I1110-E1112 PolarHBondContact O-N 3.1Å; I1110-L1114 HydrophobicContact CG2-CB 4.3Å; I1110-L1115 HydrophobicContact CB-CD1 4.25Å; I1110-L1115 HydrophobicContact CD1-CD1 4Å; I1110-L1115 HydrophobicContact CG2-CB 4.12Å; I1110-L1115 HydrophobicContact CG2-CD1 3.98Å
1111	P	84.8	Confident	86.1	Confident	45 Å²	45	68.2 Å²	68.2	29%	0.292	36%	0.356	S	S	.	.			trans	-55.5	131.8	174.9	-26	34.1	0	0	0	112	L1105 H1113 L1114 L1115	L1105-P1111 HydrophobicContact CD2-CG 4.47Å; P1111-H1113 VanDerWaalsContact CB-CE1 3.41Å; P1111-H1113 WeakPolarHBondContact CB-CE1 3.45Å; P1111-H1113 WeakPolarHBondContact CB-ND1 3.25Å; P1111-H1113 PolarHBondContact O-N 2.78Å; P1111-H1113 VanDerWaalsContact O-N 3.1Å; P1111-L1114 HydrophobicContact CB-CG 4.42Å; P1111-L1114 HydrophobicContact CG-CD1 4.31Å; P1111-L1114 WeakPolarHBondContact O-CB 3.5Å; P1111-L1114 PolarHBondContact O-N 3.36Å; P1111-L1115 PolarHBondContact O-N 2.8Å; P1111-L1115 VanDerWaalsContact O-N 3.13Å
1112	E	77.3	Confident	85.9	Confident	166 Å²	166	68.7 Å²	68.7	78%	0.776	36%	0.359	S	S	*	.	H	α-helix	trans	-55	-35.6	-174.8	-169	178.4	-170.7	0	0	113.1	I1110 L1114 L1115 K1116	I1110-E1112 PolarHBondContact O-N 3.1Å; E1112-L1114 PolarHBondContact O-N 2.78Å; E1112-L1115 PolarHBondContact O-N 2.96Å; E1112-K1116 PolarHBondContact O-N 2.76Å
1113	H	81	Confident	85.3	Confident	113 Å²	113	73.7 Å²	73.7	52%	0.523	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-21.8	177.6	76.8	-86.7	0	0	0	114.2	P1111 K1116 N1117	P1111-H1113 VanDerWaalsContact CB-CE1 3.41Å; P1111-H1113 WeakPolarHBondContact CB-CE1 3.45Å; P1111-H1113 WeakPolarHBondContact CB-ND1 3.25Å; P1111-H1113 PolarHBondContact O-N 2.78Å; P1111-H1113 VanDerWaalsContact O-N 3.1Å; H1113-K1116 WeakPolarHBondContact O-CE 3.45Å; H1113-N1117 PolarHBondContact O-ND2 3.42Å
1114	L	84	Confident	84.6	Confident	15 Å²	15	75 Å²	75	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-87	-46.1	171.1	-61.4	-178	0	0	0	110.5	W992 I1032 H1103 I1110 P1111 E1112 K1116 N1117	W992-L1114 HydrophobicContact CH2-CD2 4.36Å; W992-L1114 HydrophobicContact CZ3-CD2 3.98Å; I1032-L1114 HydrophobicContact CD1-CB 3.81Å; H1103-L1114 HydrophobicContact CB-CD1 4.4Å; I1110-L1114 HydrophobicContact CG2-CB 4.3Å; P1111-L1114 HydrophobicContact CB-CG 4.42Å; P1111-L1114 HydrophobicContact CG-CD1 4.31Å; P1111-L1114 WeakPolarHBondContact O-CB 3.5Å; P1111-L1114 PolarHBondContact O-N 3.36Å; E1112-L1114 PolarHBondContact O-N 2.78Å; L1114-K1116 VanDerWaalsContact C-N 3.3Å; L1114-K1116 PolarHBondContact O-N 2.78Å; L1114-N1117 PolarHBondContact O-N 2.68Å; L1114-N1117 VanDerWaalsContact O-N 3.12Å
1115	L	77.1	Confident	83.9	Confident	84 Å²	84	76.3 Å²	76.3	44%	0.44	40%	0.398	S	S	.	.	H	α-helix	trans	-57.8	-40.4	-175.4	-163.4	72.8	0	0	0	112.3	I1110 P1111 E1112 N1117 V1118	I1110-L1115 HydrophobicContact CB-CD1 4.25Å; I1110-L1115 HydrophobicContact CD1-CD1 4Å; I1110-L1115 HydrophobicContact CG2-CB 4.12Å; I1110-L1115 HydrophobicContact CG2-CD1 3.98Å; P1111-L1115 PolarHBondContact O-N 2.8Å; P1111-L1115 VanDerWaalsContact O-N 3.13Å; E1112-L1115 PolarHBondContact O-N 2.96Å; L1115-N1117 PolarHBondContact O-N 2.8Å; L1115-V1118 WeakPolarHBondContact O-CB 3.45Å; L1115-V1118 WeakPolarHBondContact O-CG2 3.42Å; L1115-V1118 PolarHBondContact O-N 2.82Å
1116	K	76	Confident	83.2	Confident	156 Å²	156	77.5 Å²	77.5	68%	0.678	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.2	179.3	71.4	-177.8	-177.6	-178.1	0	115.3	E1112 H1113 L1114	E1112-K1116 PolarHBondContact O-N 2.76Å; H1113-K1116 WeakPolarHBondContact O-CE 3.45Å; L1114-K1116 VanDerWaalsContact C-N 3.3Å; L1114-K1116 PolarHBondContact O-N 2.78Å
1117	N	77.4	Confident	82.3	Confident	44 Å²	44	82.1 Å²	82.1	24%	0.235	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-16.6	-179.5	-53.4	-56.8	0	0	0	112.2	W992 H1113 L1114 L1115 C1119	W992-N1117 HydrophobicContact CB-CB 4.27Å; W992-N1117 VanDerWaalsContact CB-O 3.29Å; W992-N1117 WeakPolarHBondContact CB-O 3.32Å; W992-N1117 HydrophobicContact CD2-CB 3.54Å; W992-N1117 HydrophobicContact CE3-CB 4.05Å; W992-N1117 HydrophobicContact CG-CB 3.64Å; W992-N1117 HydrophobicContact CZ2-CB 4.29Å; H1113-N1117 PolarHBondContact O-ND2 3.42Å; L1114-N1117 PolarHBondContact O-N 2.68Å; L1114-N1117 VanDerWaalsContact O-N 3.12Å; L1115-N1117 PolarHBondContact O-N 2.8Å; N1117-C1119 PolarHBondContact O-N 3.05Å
1118	V	80.6	Confident	81.2	Confident	43 Å²	43	81.8 Å²	81.8	26%	0.261	43%	0.431	S	S	.	.			trans	-61.6	122.3	-175.6	177	0	0	0	0	109.5	L994 I1032 L1115 N1120	L994-V1118 HydrophobicContact CB-CG1 3.76Å; L994-V1118 HydrophobicContact CB-CG2 4.32Å; I1032-V1118 HydrophobicContact CD1-CG2 3.73Å; L1115-V1118 WeakPolarHBondContact O-CB 3.45Å; L1115-V1118 WeakPolarHBondContact O-CG2 3.42Å; L1115-V1118 PolarHBondContact O-N 2.82Å; V1118-N1120 WeakPolarHBondContact CG1-O 3.28Å
1119	C	79.9	Confident	80.2	Confident	72 Å²	72	80.3 Å²	80.3	49%	0.486	43%	0.428	S	S	.	.			trans	-119.1	-10.9	176.2	57.8	0	0	0	0	112.9	Q991 W992 N1117	Q991-C1119 VanDerWaalsContact CB-SG 3.58Å; W992-C1119 PolarHBondContact N-SG 2.87Å; W992-C1119 VanDerWaalsContact N-SG 3.37Å; W992-C1119 PolarHBondContact O-N 2.85Å; N1117-C1119 PolarHBondContact O-N 3.05Å
1120	N	82.9	Confident	79.2	Confident	62 Å²	62	79.8 Å²	79.8	33%	0.332	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.6	179.3	-74.5	-45.4	0	0	0	111.3	Q991 W992 H993 L994 V1118	Q991-N1120 PolarHBondContact OE1-ND2 3.45Å; W992-N1120 PolarHBondContact O-N 2.86Å; H993-N1120 CarbonylContact C-O 3.49Å; H993-N1120 VanDerWaalsContact CA-O 3.28Å; H993-N1120 WeakPolarHBondContact CA-O 3.41Å; H993-N1120 WeakPolarHBondContact ND1-CB 3.37Å; L994-N1120 PolarHBondContact N-O 3.02Å; V1118-N1120 WeakPolarHBondContact CG1-O 3.28Å
1121	Q	86.5	Confident	78	Confident	142 Å²	142	86.1 Å²	86.1	66%	0.664	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.8	169.3	-171.6	173.4	-2.9	0	0	109.1	L994	L994-Q1121 CarbonylContact O-C 3.57Å; L994-Q1121 WeakPolarHBondContact O-CA 3.43Å
1122	L	86.5	Confident	77.3	Confident	23 Å²	23	90.9 Å²	90.9	12%	0.12	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-83.3	135	175	-72.1	168	0	0	0	109.7	H993 L994 L995 V1012 V1031	H993-L1122 HydrophobicContact CB-CD1 3.69Å; H993-L1122 HydrophobicContact CB-CG 3.78Å; L994-L1122 PolarHBondContact O-N 3.27Å; L995-L1122 HydrophobicContact CB-CB 4.4Å; L995-L1122 HydrophobicContact CD1-CB 3.51Å; L995-L1122 HydrophobicContact CD1-CD1 4.48Å; V1012-L1122 HydrophobicContact CG2-CD1 4.25Å; V1012-L1122 HydrophobicContact CG2-CD2 4.1Å; V1031-L1122 HydrophobicContact CG1-CD1 3.93Å; V1031-L1122 HydrophobicContact CG2-CD1 4.31Å
1123	E	81.4	Confident	77	Confident	124 Å²	124	88 Å²	88	58%	0.579	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-64.3	144.1	177	-54	173	149.6	0	0	111.3	K1008	K1008-E1123 PolarHBondContact NZ-O 3.37Å
1124	Q	79.6	Confident	76.7	Confident	73 Å²	73	87.7 Å²	87.7	34%	0.341	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.8	171.9	-71.5	175.2	-21.4	0	0	111.1	D996 V1128	D996-Q1124 PolarHBondContact OD2-NE2 2.95Å; Q1124-V1128 VanDerWaalsContact OE1-CG2 3.3Å
1125	V	82.4	Confident	76.2	Confident	64 Å²	64	90.4 Å²	90.4	39%	0.388	45%	0.449	S	S	.	.	S	Bend	trans	-87.6	-36.8	-179.4	-176.8	0	0	0	0	110.9	L1004 L1005 K1008	L1004-V1125 HydrophobicContact CB-CG1 4.07Å; L1004-V1125 HydrophobicContact CD1-CG1 4.27Å; L1005-V1125 HydrophobicContact CD1-CG2 4.04Å; K1008-V1125 HydrophobicContact CD-CG2 4.13Å
1126	M	79.2	Confident	76.3	Confident	57 Å²	57	89.7 Å²	89.7	28%	0.281	45%	0.449	S	S	.	.	S	Bend	trans	-111.7	140.8	177.6	-58.1	-162.7	-49.8	0	0	110	W999 Q1000 D1001 L1004 V1128	W999-M1126 WeakPolarHBondContact O-CE 3.35Å; Q1000-M1126 PolarHBondContact NE2-O 3.22Å; Q1000-M1126 PolarHBondContact OE1-O 3.22Å; D1001-M1126 HydrophobicContact CB-CE 3.81Å; D1001-M1126 HydrophobicContact CB-SD 3.92Å; L1004-M1126 HydrophobicContact CD1-SD 4.37Å; M1126-V1128 PolarHBondContact O-N 2.79Å
1127	P	73.4	Confident	76.4	Confident	120 Å²	120	85.6 Å²	85.6	78%	0.779	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-65.2	133.7	173.2	26.9	-32.4	0	0	0	110	P1129	P1127-P1129 VanDerWaalsContact O-CD 3.32Å; P1127-P1129 WeakPolarHBondContact O-CD 3.39Å
1128	V	70.5	Confident	76.4	Confident	56 Å²	56	87.6 Å²	87.6	34%	0.339	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-75.1	117	174.7	173.5	0	0	0	0	109.1	Q1124 M1126 K1130	Q1124-V1128 VanDerWaalsContact OE1-CG2 3.3Å; M1126-V1128 PolarHBondContact O-N 2.79Å; V1128-K1130 PolarHBondContact O-N 2.87Å
1129	P	66.5	Low	76.2	Confident	80 Å²	80	88.6 Å²	88.6	52%	0.519	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-69.1	131.8	178.5	26	-30.5	0	0	0	110.4	P1127	P1127-P1129 VanDerWaalsContact O-CD 3.32Å; P1127-P1129 WeakPolarHBondContact O-CD 3.39Å
1130	K	67.2	Low	75.9	Confident	105 Å²	105	89.2 Å²	89.2	46%	0.457	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-77.4	141.4	169.6	-70.7	-174.9	-179.3	-173.2	0	109.9	V1128 E1134 Y1135 E1139	V1128-K1130 PolarHBondContact O-N 2.87Å; K1130-E1134 WeakPolarHBondContact CA-OE2 3.25Å; K1130-E1134 HydrophobicContact CB-CB 4.23Å; K1130-Y1135 HydrophobicContact CB-CD2 4.19Å; K1130-Y1135 HydrophobicContact CB-CE1 4.21Å; K1130-Y1135 HydrophobicContact CB-CE2 3.56Å; K1130-Y1135 HydrophobicContact CD-CD1 4.28Å; K1130-Y1135 HydrophobicContact CD-CE1 4Å; K1130-Y1135 WeakPolarHBondContact O-CE2 3.36Å; K1130-E1139 IonicContact NZ-OE1 3.01Å
1131	R	64.2	Low	75.3	Confident	165 Å²	165	96.6 Å²	96.6	62%	0.623	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-69.4	153.2	168.9	-61.6	-178.5	175.1	-175.2	1.2	109.8	D1133 E1134 Y1135	R1131-D1133 WeakPolarHBondContact CB-OD1 3.42Å; R1131-D1133 PolarHBondContact O-N 2.82Å; R1131-D1133 VanDerWaalsContact O-N 3.1Å; R1131-E1134 HydrophobicContact CB-CG 4.09Å; R1131-E1134 PolarHBondContact N-OE2 2.88Å; R1131-E1134 WeakPolarHBondContact O-CB 3.36Å; R1131-E1134 PolarHBondContact O-N 2.92Å; R1131-Y1135 WeakPolarHBondContact O-CD2 3.2Å
1132	Y	68.7	Low	74.7	Confident	145 Å²	145	97 Å²	97	57%	0.569	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-54.3	-35	-178.8	-174.6	-102.9	0	0	0	112.4	Y1135 R1140 I1143	Y1132-Y1135 PolarHBondContact O-N 3.11Å; Y1132-R1140 HydrophobicContact CD2-CG 4.44Å; Y1132-R1140 HydrophobicContact CE1-CG 4.15Å; Y1132-R1140 HydrophobicContact CE2-CB 4.16Å; Y1132-R1140 HydrophobicContact CE2-CG 3.95Å; Y1132-R1140 PolarHBondContact O-NE 2.8Å; Y1132-I1143 HydrophobicContact CD2-CD1 3.92Å; Y1132-I1143 HydrophobicContact CE2-CD1 3.9Å
1133	D	72.6	Confident	73.8	Confident	105 Å²	105	99 Å²	99	56%	0.561	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-73	-24.3	178.4	56.4	-27.6	0	0	0	114.5	R1131 Y1135 R1140	R1131-D1133 WeakPolarHBondContact CB-OD1 3.42Å; R1131-D1133 PolarHBondContact O-N 2.82Å; R1131-D1133 VanDerWaalsContact O-N 3.1Å; D1133-Y1135 VanDerWaalsContact C-N 3.26Å; D1133-Y1135 PolarHBondContact O-N 2.94Å; D1133-R1140 PolarHBondContact O-NH2 2.76Å
1134	E	73.6	Confident	72.9	Confident	107 Å²	107	98.3 Å²	98.3	50%	0.5	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-76.9	-12.6	175.7	-64.1	172.1	162.9	0	0	112.9	K1130 R1131	K1130-E1134 WeakPolarHBondContact CA-OE2 3.25Å; K1130-E1134 HydrophobicContact CB-CB 4.23Å; R1131-E1134 HydrophobicContact CB-CG 4.09Å; R1131-E1134 PolarHBondContact N-OE2 2.88Å; R1131-E1134 WeakPolarHBondContact O-CB 3.36Å; R1131-E1134 PolarHBondContact O-N 2.92Å
1135	Y	74.5	Confident	71.8	Confident	71 Å²	71	98.2 Å²	98.2	28%	0.278	50%	0.496	S	S	.	.	S	Bend	trans	-80.6	134.1	169.1	-65.8	-83.2	0	0	0	110	K1130 R1131 Y1132 D1133 E1139 R1140 I1143	K1130-Y1135 HydrophobicContact CB-CD2 4.19Å; K1130-Y1135 HydrophobicContact CB-CE1 4.21Å; K1130-Y1135 HydrophobicContact CB-CE2 3.56Å; K1130-Y1135 HydrophobicContact CD-CD1 4.28Å; K1130-Y1135 HydrophobicContact CD-CE1 4Å; K1130-Y1135 WeakPolarHBondContact O-CE2 3.36Å; R1131-Y1135 WeakPolarHBondContact O-CD2 3.2Å; Y1132-Y1135 PolarHBondContact O-N 3.11Å; D1133-Y1135 VanDerWaalsContact C-N 3.26Å; D1133-Y1135 PolarHBondContact O-N 2.94Å; Y1135-E1139 HydrophobicContact CD1-CB 3.89Å; Y1135-E1139 HydrophobicContact CG-CB 4.35Å; Y1135-R1140 PolarHBondContact O-NE 2.86Å; Y1135-R1140 PolarHBondContact O-NH2 3.36Å; Y1135-I1143 HydrophobicContact CD2-CD1 4.07Å; Y1135-I1143 HydrophobicContact CE2-CD1 4.29Å; Y1135-I1143 HydrophobicContact CG-CD1 4.19Å
1136	T	79	Confident	70.5	Confident	70 Å²	70	99.4 Å²	99.4	43%	0.429	50%	0.5	S	S	.	.			trans	-58.6	154.9	169.5	60.7	0	0	0	0	110.5	E1138 E1139 R1140	T1136-E1138 PolarHBondContact O-N 2.88Å; T1136-E1139 WeakPolarHBondContact CB-OE2 3.36Å; T1136-E1139 WeakPolarHBondContact CG2-OE2 3.39Å; T1136-E1139 PolarHBondContact N-OE2 3.32Å; T1136-E1139 PolarHBondContact O-N 2.77Å; T1136-E1139 VanDerWaalsContact OG1-CG 3.27Å; T1136-E1139 WeakPolarHBondContact OG1-CG 3.05Å; T1136-E1139 PolarHBondContact OG1-N 2.79Å; T1136-E1139 PolarHBondContact OG1-OE2 3.44Å; T1136-R1140 WeakPolarHBondContact O-CG 3.26Å; T1136-R1140 PolarHBondContact O-N 2.78Å
1137	A	77.6	Confident	69	Low	69 Å²	69	102.1 Å²	102.1	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-52.7	-33.5	179.9	0	0	0	0	0	112.9	R1141	A1137-R1141 WeakPolarHBondContact O-CG 3.41Å; A1137-R1141 PolarHBondContact O-N 2.88Å
1138	E	77.6	Confident	67.9	Low	86 Å²	86	100.7 Å²	100.7	40%	0.402	50%	0.496	S	S	.	.	H	α-helix	trans	-74.6	-38	177	-162.6	-176.5	142.2	0	0	113.3	K249 T1136 R1140 R1141 K1142	K249-E1138 VanDerWaalsContact CE-OE2 3.32Å; K249-E1138 WeakPolarHBondContact CE-OE2 3.31Å; K249-E1138 VanDerWaalsContact NZ-CD 3.32Å; K249-E1138 IonicContact NZ-OE1 3.8Å; K249-E1138 IonicContact NZ-OE2 3.67Å; K249-E1138 PolarHBondContact NZ-OE2 3.4Å; T1136-E1138 PolarHBondContact O-N 2.88Å; E1138-R1140 VanDerWaalsContact C-N 3.34Å; E1138-R1141 PolarHBondContact O-N 3.42Å; E1138-K1142 IonicContact OE1-NZ 2.84Å
1139	E	75.9	Confident	66.7	Low	65 Å²	65	109.2 Å²	109.2	30%	0.304	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-41.2	172.3	-73.9	167.2	127.3	0	0	110.7	K1130 Y1135 T1136 R1141 K1142 I1143	K1130-E1139 IonicContact NZ-OE1 3.01Å; Y1135-E1139 HydrophobicContact CD1-CB 3.89Å; Y1135-E1139 HydrophobicContact CG-CB 4.35Å; T1136-E1139 WeakPolarHBondContact CB-OE2 3.36Å; T1136-E1139 WeakPolarHBondContact CG2-OE2 3.39Å; T1136-E1139 PolarHBondContact N-OE2 3.32Å; T1136-E1139 PolarHBondContact O-N 2.77Å; T1136-E1139 VanDerWaalsContact OG1-CG 3.27Å; T1136-E1139 WeakPolarHBondContact OG1-CG 3.05Å; T1136-E1139 PolarHBondContact OG1-N 2.79Å; T1136-E1139 PolarHBondContact OG1-OE2 3.44Å; E1139-R1141 VanDerWaalsContact C-N 3.29Å; E1139-R1141 PolarHBondContact O-N 3.09Å; E1139-K1142 WeakPolarHBondContact O-CB 3.46Å; E1139-K1142 PolarHBondContact O-N 2.87Å; E1139-I1143 PolarHBondContact O-N 2.72Å
1140	R	73.1	Confident	65.8	Low	84 Å²	84	111.5 Å²	111.5	32%	0.317	53%	0.53	S	S	.	.	H	α-helix	trans	-59.1	-37.1	176.6	-68.3	179.6	-163.8	175	13.9	112.8	Y1132 D1133 Y1135 T1136 E1138 K1142 I1143	Y1132-R1140 HydrophobicContact CD2-CG 4.44Å; Y1132-R1140 HydrophobicContact CE1-CG 4.15Å; Y1132-R1140 HydrophobicContact CE2-CB 4.16Å; Y1132-R1140 HydrophobicContact CE2-CG 3.95Å; Y1132-R1140 PolarHBondContact O-NE 2.8Å; D1133-R1140 PolarHBondContact O-NH2 2.76Å; Y1135-R1140 PolarHBondContact O-NE 2.86Å; Y1135-R1140 PolarHBondContact O-NH2 3.36Å; T1136-R1140 WeakPolarHBondContact O-CG 3.26Å; T1136-R1140 PolarHBondContact O-N 2.78Å; E1138-R1140 VanDerWaalsContact C-N 3.34Å; R1140-K1142 PolarHBondContact O-N 2.79Å; R1140-I1143 WeakPolarHBondContact O-CB 3.47Å; R1140-I1143 PolarHBondContact O-N 3.43Å
1141	R	71.6	Confident	65.1	Low	217 Å²	217	115.9 Å²	115.9	82%	0.819	55%	0.552	S	S	*	*	H	α-helix	trans	-64.9	-23.4	175.5	-75.4	179.2	-174.9	175.9	1.5	113.7	A1137 E1138 E1139	A1137-R1141 WeakPolarHBondContact O-CG 3.41Å; A1137-R1141 PolarHBondContact O-N 2.88Å; E1138-R1141 PolarHBondContact O-N 3.42Å; E1139-R1141 VanDerWaalsContact C-N 3.29Å; E1139-R1141 PolarHBondContact O-N 3.09Å
1142	K	73.3	Confident	64.4	Low	150 Å²	150	116 Å²	116	65%	0.652	57%	0.565	S	S	*	*	H	α-helix	trans	-88.3	-13.5	178.2	-63.5	177	-174	174.5	0	112.6	E1138 E1139 R1140 P1144	E1138-K1142 IonicContact OE1-NZ 2.84Å; E1139-K1142 WeakPolarHBondContact O-CB 3.46Å; E1139-K1142 PolarHBondContact O-N 2.87Å; R1140-K1142 PolarHBondContact O-N 2.79Å; K1142-P1144 WeakPolarHBondContact O-CD 3.34Å
1143	I	68.5	Low	63.2	Low	67 Å²	67	111.3 Å²	111.3	34%	0.344	56%	0.561	S	S	.	*	S	Bend	trans	-71.5	117.3	174.4	-59.5	175.6	0	0	0	107	Y1132 Y1135 E1139 R1140 A1145	Y1132-I1143 HydrophobicContact CD2-CD1 3.92Å; Y1132-I1143 HydrophobicContact CE2-CD1 3.9Å; Y1135-I1143 HydrophobicContact CD2-CD1 4.07Å; Y1135-I1143 HydrophobicContact CE2-CD1 4.29Å; Y1135-I1143 HydrophobicContact CG-CD1 4.19Å; E1139-I1143 PolarHBondContact O-N 2.72Å; R1140-I1143 WeakPolarHBondContact O-CB 3.47Å; R1140-I1143 PolarHBondContact O-N 3.43Å; I1143-A1145 PolarHBondContact O-N 3.42Å
1144	P	62.7	Low	61.7	Low	108 Å²	108	110.1 Å²	110.1	70%	0.701	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-55.5	123	-177.7	-22.7	31.8	0	0	0	110.8	K1142 L1146	K1142-P1144 WeakPolarHBondContact O-CD 3.34Å; P1144-L1146 PolarHBondContact O-N 2.88Å
1145	A	55.9	Low	60.1	Low	71 Å²	71	113 Å²	113	59%	0.587	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-65.9	119.1	173.3	0	0	0	0	0	108.6	I1143 F1147	I1143-A1145 PolarHBondContact O-N 3.42Å; A1145-F1147 PolarHBondContact O-N 2.97Å
1146	L	55.9	Low	58.5	Low	90 Å²	90	114.4 Å²	114.4	47%	0.471	59%	0.592	S	S	.	*	S	Bend	trans	-69.8	-24.1	178.6	-134.3	91.1	0	0	0	111.8	P1144 I1161	P1144-L1146 PolarHBondContact O-N 2.88Å; L1146-I1161 HydrophobicContact CD1-CD1 3.94Å; L1146-I1161 HydrophobicContact CD1-CG1 4.37Å; L1146-I1161 HydrophobicContact CD2-CD1 3.62Å; L1146-I1161 HydrophobicContact CG-CD1 3.9Å
1147	F	47.6	Very low	56.7	Low	114 Å²	114	118.1 Å²	118.1	50%	0.5	60%	0.602	S	S	.	*			trans	-137.6	117.9	-177.1	-56.2	-77.4	0	0	0	109.2	A1145	A1145-F1147 PolarHBondContact O-N 2.97Å
1148	D	49	Very low	54.8	Low	90 Å²	90	120.8 Å²	120.8	48%	0.481	62%	0.617	S	S	.	*			trans	-90.1	111	163.5	-77.1	-33.9	0	0	0	107.5	L1150	D1148-L1150 PolarHBondContact O-N 2.76Å; D1148-L1150 VanDerWaalsContact O-N 3.1Å
1149	W	46.3	Very low	53	Low	234 Å²	234	121.7 Å²	121.7	89%	0.886	62%	0.623	S	S	*	*			trans	-78.2	87.1	171.1	-76.2	85.6	0	0	0	108.6
1150	L	46.1	Very low	51.1	Low	128 Å²	128	128.7 Å²	128.7	67%	0.67	65%	0.653	S	S	*	*			trans	-78.8	137.1	165.2	-71	166.5	0	0	0	108.3	D1148 N1152 G1153	D1148-L1150 PolarHBondContact O-N 2.76Å; D1148-L1150 VanDerWaalsContact O-N 3.1Å; L1150-N1152 PolarHBondContact O-N 2.85Å; L1150-G1153 PolarHBondContact O-N 2.74Å; L1150-G1153 VanDerWaalsContact O-N 3.09Å
1151	E	53.5	Low	49.3	Very low	197 Å²	197	128.8 Å²	128.8	92%	0.921	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-15.9	-175.2	-78.5	-178.4	153	0	0	114.4
1152	N	49.5	Very low	47.5	Very low	167 Å²	167	123.7 Å²	123.7	89%	0.893	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	22.3	-178.1	-66.1	-27.2	0	0	0	115.5	L1150	L1150-N1152 PolarHBondContact O-N 2.85Å
1153	G	44.5	Very low	45.5	Very low	47 Å²	47	120.4 Å²	120.4	49%	0.485	66%	0.657	S	S	.	*			trans	120.9	150.4	166.6	0	0	0	0	0	115.2	L1150	L1150-G1153 PolarHBondContact O-N 2.74Å; L1150-G1153 VanDerWaalsContact O-N 3.09Å
1154	C	39.8	Very low	43.8	Very low	80 Å²	80	123.1 Å²	123.1	54%	0.541	67%	0.67	S	S	.	*			trans	-76.4	124.5	-168.5	-176.7	0	0	0	0	112.3
1155	H	41.3	Very low	42.3	Very low	169 Å²	169	127.8 Å²	127.8	78%	0.782	68%	0.676	S	S	*	*			trans	-113.5	108.1	166.2	-86.4	-2.3	0	0	0	110.6	K1157	H1155-K1157 PolarHBondContact O-N 2.96Å
1156	C	39.2	Very low	41	Very low	100 Å²	100	133 Å²	133	68%	0.676	69%	0.685	S	S	*	*			trans	-71	106.8	174.3	-172.9	0	0	0	0	108.8	S1158	C1156-S1158 PolarHBondContact O-N 3.33Å
1157	K	42.3	Very low	39.7	Very low	148 Å²	148	140.1 Å²	140.1	64%	0.643	71%	0.706	S	S	*	*			trans	-64.2	121	166.7	-78.5	179.4	179.6	162.7	0	107.5	H1155 I1159	H1155-K1157 PolarHBondContact O-N 2.96Å; K1157-I1159 HydrophobicContact CB-CG1 4.43Å; K1157-I1159 PolarHBondContact O-N 3.42Å
1158	S	38	Very low	39	Very low	125 Å²	125	140.6 Å²	140.6	87%	0.874	72%	0.72	S	S	*	*			trans	-64.8	78	179.1	55.2	0	0	0	0	110.7	C1156	C1156-S1158 PolarHBondContact O-N 3.33Å
1159	I	38.3	Very low	38.3	Very low	105 Å²	105	145.7 Å²	145.7	54%	0.538	74%	0.738	S	S	.	*			trans	-99.7	120.7	170.8	-59.8	177.7	0	0	0	105.8	K1157 I1161	K1157-I1159 HydrophobicContact CB-CG1 4.43Å; K1157-I1159 PolarHBondContact O-N 3.42Å; I1159-I1161 HydrophobicContact CB-CG1 4.45Å; I1159-I1161 HydrophobicContact CG2-CG1 4.26Å; I1159-I1161 WeakPolarHBondContact O-CG1 3.38Å; I1159-I1161 PolarHBondContact O-N 3.07Å
1160	K	36.1	Very low	37.6	Very low	212 Å²	212	143.9 Å²	143.9	92%	0.922	74%	0.74	S	S	*	*			trans	-62.3	87.5	171.6	-81.3	-179.8	173.4	177.2	0	108.5	S1162	K1160-S1162 PolarHBondContact O-N 3.12Å
1161	I	35.8	Very low	36.9	Very low	86 Å²	86	146.8 Å²	146.8	44%	0.441	75%	0.747	S	S	.	*			trans	-80	103.1	178.4	-65.1	151	0	0	0	107.6	L1146 I1159 A1163	L1146-I1161 HydrophobicContact CD1-CD1 3.94Å; L1146-I1161 HydrophobicContact CD1-CG1 4.37Å; L1146-I1161 HydrophobicContact CD2-CD1 3.62Å; L1146-I1161 HydrophobicContact CG-CD1 3.9Å; I1159-I1161 HydrophobicContact CB-CG1 4.45Å; I1159-I1161 HydrophobicContact CG2-CG1 4.26Å; I1159-I1161 WeakPolarHBondContact O-CG1 3.38Å; I1159-I1161 PolarHBondContact O-N 3.07Å; I1161-A1163 VanDerWaalsContact C-N 3.31Å; I1161-A1163 PolarHBondContact O-N 2.71Å
1162	S	34.8	Very low	35.9	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	74%	0.741	S	S	*	*			trans	-67	95	159.4	50.6	0	0	0	0	108.2	K1160	K1160-S1162 PolarHBondContact O-N 3.12Å
1163	A	31.3	Very low	35.1	Very low	80 Å²	80	142 Å²	142	66%	0.661	74%	0.737	S	S	*	*			trans	30	88.9	161.4	0	0	0	0	0	117.1	I1161 Y1165	I1161-A1163 VanDerWaalsContact C-N 3.31Å; I1161-A1163 PolarHBondContact O-N 2.71Å; A1163-Y1165 HydrophobicContact CB-CE2 4.47Å
1164	I	33	Very low	34.5	Very low	124 Å²	124	145.5 Å²	145.5	64%	0.636	75%	0.749	S	S	*	*			trans	-113.2	109.4	157.8	-60.5	178.1	0	0	0	107.3	F1166	I1164-F1166 HydrophobicContact CG2-CD2 4.14Å; I1164-F1166 HydrophobicContact CG2-CE2 3.83Å; I1164-F1166 PolarHBondContact O-N 2.93Å
1165	Y	29.9	Very low	34.1	Very low	207 Å²	207	150.6 Å²	150.6	81%	0.812	77%	0.765	S	S	*	*			trans	-76.1	112.3	178.7	-81.6	-98.2	0	0	0	110.1	A1163	A1163-Y1165 HydrophobicContact CB-CE2 4.47Å
1166	F	29.6	Very low	33.6	Very low	180 Å²	180	153.9 Å²	153.9	79%	0.789	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-95.4	124.3	166	-84.2	-90.8	0	0	0	109.8	I1164	I1164-F1166 HydrophobicContact CG2-CD2 4.14Å; I1164-F1166 HydrophobicContact CG2-CE2 3.83Å; I1164-F1166 PolarHBondContact O-N 2.93Å
1167	R	28.4	Very low	33.3	Very low	240 Å²	240	158.3 Å²	158.3	91%	0.906	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-76.5	127.8	164	-88.9	-171.9	-177.1	-176.9	2	108.6	K1169	R1167-K1169 PolarHBondContact O-N 3.2Å
1168	P	32.6	Very low	32.8	Very low	123 Å²	123	160.6 Å²	160.6	80%	0.799	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.4	174.4	-9.8	24.3	0	0	0	109.9
1169	K	33.8	Very low	32.7	Very low	198 Å²	198	163.8 Å²	163.8	86%	0.861	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69	139	168.2	-91.2	-178.5	170.9	-177.6	0	109.5	R1167 F1171	R1167-K1169 PolarHBondContact O-N 3.2Å; K1169-F1171 PolarHBondContact O-N 2.63Å
1170	E	32.8	Very low	32.6	Very low	196 Å²	196	166.4 Å²	166.4	92%	0.916	81%	0.811	S	S	*	*			trans	-36.8	111.9	176.1	-66	161.6	171.6	0	0	112.7
1171	F	31	Very low	32.6	Very low	188 Å²	188	166 Å²	166	83%	0.825	81%	0.809	S	S	*	*			trans	-74.9	121.2	160	-89.8	-91.3	0	0	0	107.5	K1169 V1173	K1169-F1171 PolarHBondContact O-N 2.63Å; F1171-V1173 PolarHBondContact O-N 3.32Å; F1171-V1173 VanDerWaalsContact O-N 3.13Å
1172	T	32.4	Very low	33	Very low	128 Å²	128	167.6 Å²	167.6	79%	0.785	83%	0.825	S	S	*	*			trans	-53.2	114.8	165.1	20.3	0	0	0	0	108.6	T1174	T1172-T1174 PolarHBondContact O-N 3.23Å
1173	V	32.4	Very low	33	Very low	136 Å²	136	172.2 Å²	172.2	82%	0.824	83%	0.831	S	S	*	*			trans	-64.1	97.3	173.8	178.9	0	0	0	0	107.3	F1171	F1171-V1173 PolarHBondContact O-N 3.32Å; F1171-V1173 VanDerWaalsContact O-N 3.13Å
1174	T	32.2	Very low	33.3	Very low	120 Å²	120	174.3 Å²	174.3	74%	0.736	84%	0.838	S	S	*	*			trans	-82.1	113.2	156.7	34.4	0	0	0	0	106.8	T1172 R1176	T1172-T1174 PolarHBondContact O-N 3.23Å; T1174-R1176 PolarHBondContact O-N 2.84Å
1175	E	30.8	Very low	33.2	Very low	188 Å²	188	177.6 Å²	177.6	88%	0.879	85%	0.851	S	S	*	*			trans	-46.3	111.7	171.3	-69.1	171.7	154.4	0	0	109.1
1176	R	30.1	Very low	33.2	Very low	237 Å²	237	179.3 Å²	179.3	89%	0.894	87%	0.874	S	S	*	*			trans	-121.6	122.1	162.7	-87.2	-169.1	176.2	-169	-0.1	107.9	T1174	T1174-R1176 PolarHBondContact O-N 2.84Å
1177	E	33.4	Very low	33.4	Very low	194 Å²	194	179.3 Å²	179.3	91%	0.907	88%	0.878	S	S	*	*			trans	-50.9	147.3	-174.6	-69.1	171	139.9	0	0	113.2	E1179	E1177-E1179 PolarHBondContact O-N 3.45Å
1178	E	32.4	Very low	33.6	Very low	196 Å²	196	176.1 Å²	176.1	92%	0.916	88%	0.877	S	S	*	*			trans	-53	113.9	178.1	-62.3	173.5	139.4	0	0	112.3
1179	E	35.9	Very low	33.7	Very low	192 Å²	192	179 Å²	179	90%	0.897	88%	0.881	S	S	*	*			trans	-124.9	104.6	153.5	-83.3	-165.6	156.9	0	0	110.5	E1177 K1181	E1177-E1179 PolarHBondContact O-N 3.45Å; E1179-K1181 PolarHBondContact O-N 3.4Å
1180	N	36.7	Very low	33.7	Very low	159 Å²	159	177.9 Å²	177.9	85%	0.85	88%	0.882	S	S	*	*			trans	-35.9	121.7	161.6	-87.3	-45.9	0	0	0	112.9
1181	K	36	Very low	33.7	Very low	205 Å²	205	176.8 Å²	176.8	89%	0.891	88%	0.88	S	S	*	*			trans	-165.3	147.7	141.5	-104.3	156.5	-162.3	-179.5	0	112.4	E1179	E1179-K1181 PolarHBondContact O-N 3.4Å
1182	P	43.2	Very low	33.9	Very low	119 Å²	119	176 Å²	176	77%	0.773	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-86	149.9	-155.8	33.6	-33.5	0	0	0	113.9
1183	K	34.4	Very low	34	Very low	206 Å²	206	179.4 Å²	179.4	90%	0.896	89%	0.891	S	S	*	*	P	Polyproline II helix	trans	-54	127.5	175.3	-67.6	173.9	174.3	177.1	0	112.7
1184	P	38.5	Very low	34.1	Very low	125 Å²	125	182.8 Å²	182.8	81%	0.812	90%	0.896	S	S	*	*	P	Polyproline II helix	trans	-88.1	133	155.8	29.6	-19.6	0	0	0	109.8	N1186	P1184-N1186 PolarHBondContact O-N 3.11Å
1185	Q	29.9	Very low	34.3	Very low	192 Å²	192	188 Å²	188	90%	0.897	91%	0.909	S	S	*	*	P	Polyproline II helix	trans	-61.8	122.2	171.5	-73.2	168.9	-27.1	0	0	110.4
1186	N	30.3	Very low	34.6	Very low	243 Å²	243	188 Å²	188	100%	1.299	91%	0.912	S	S	*	*			trans	-163.4	0	136.6	-95.2	-21.1	0	0	0	109.2	P1184	P1184-N1186 PolarHBondContact O-N 3.11Å

Retrieved 1,186 of 1,186 residues in 484.9 ms (Link to these results)

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