A0A077ZIN4_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077ZIN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 aa.

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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	34	Very low	34.9	Very low	230 Å²	230	124 Å²	124	100%	1.133	76%	0.764	S	S	*	*				0	48.9	0	-62	-168.7	-179.7	0	0	106.5
2	D	34.7	Very low	35.1	Very low	158 Å²	158	117.1 Å²	117.1	85%	0.845	73%	0.728	S	S	*	*				97.8	81.7	74.4	-79.2	15.8	0	0	0	107.5
3	A	36.5	Very low	35.5	Very low	102 Å²	102	116.8 Å²	116.8	84%	0.843	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-79.3	121.3	158.2	0	0	0	0	0	106.7
4	G	35.3	Very low	36.2	Very low	76 Å²	76	114.9 Å²	114.9	78%	0.784	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-69.3	132.3	-175.6	0	0	0	0	0	112.7
5	E	33.5	Very low	37	Very low	188 Å²	188	111 Å²	111	88%	0.879	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-65.2	129.3	165.3	-62	165.6	138.7	0	0	109.2
6	S	36.1	Very low	37.8	Very low	74 Å²	74	113.5 Å²	113.5	52%	0.517	67%	0.67	S	S	.	*			trans	-118.1	87.3	178.4	70.2	0	0	0	0	112.6	Y74	S6-Y74 WeakPolarHBondContact O-CD1 3.47Å; S6-Y74 WeakPolarHBondContact O-CE1 3.24Å; S6-Y74 WeakPolarHBondContact O-CE2 3.39Å; S6-Y74 PolarHBondContact O-OH 2.94Å
7	E	35.3	Very low	38.9	Very low	180 Å²	180	109.9 Å²	109.9	84%	0.841	65%	0.647	S	S	*	*			trans	-26.8	136.6	179.3	-59.2	-179.9	154.6	0	0	118.7	Y74	E7-Y74 WeakPolarHBondContact CA-OH 3.47Å; E7-Y74 PolarHBondContact N-OH 2.96Å
8	V	34.4	Very low	40	Very low	76 Å²	76	108.7 Å²	108.7	46%	0.461	64%	0.637	S	S	.	*			trans	-57.2	134.1	172.5	176.6	0	0	0	0	110.5	A12 Y74	V8-A12 HydrophobicContact CG1-CB 3.86Å; V8-Y74 HydrophobicContact CG2-CE1 3.88Å
9	P	32.5	Very low	40.9	Very low	65 Å²	65	106.2 Å²	106.2	42%	0.422	63%	0.63	S	S	.	*			trans	-59.6	137.1	-179.1	21.6	-31.9	0	0	0	111.5	G11 A12	P9-G11 PolarHBondContact O-N 3.39Å; P9-A12 HydrophobicContact CG-CB 4.42Å; P9-A12 PolarHBondContact O-N 3.27Å
10	P	31.6	Very low	41.9	Very low	142 Å²	142	103.4 Å²	103.4	92%	0.922	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	99.4	179.2	26.7	-32	0	0	0	109.3
11	G	40.3	Very low	42.8	Very low	73 Å²	73	103 Å²	103	75%	0.753	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.5	-6.2	-178.1	0	0	0	0	0	115.7	P9 E13	P9-G11 PolarHBondContact O-N 3.39Å; G11-E13 PolarHBondContact O-N 3.27Å
12	A	37.2	Very low	44.3	Very low	41 Å²	41	92.6 Å²	92.6	34%	0.339	56%	0.56	S	S	.	*			trans	-73	117.8	171.8	0	0	0	0	0	110.6	V8 P9 I14 Q38	V8-A12 HydrophobicContact CG1-CB 3.86Å; P9-A12 HydrophobicContact CG-CB 4.42Å; P9-A12 PolarHBondContact O-N 3.27Å; A12-I14 PolarHBondContact O-N 2.92Å; A12-Q38 PolarHBondContact O-NE2 2.89Å
13	E	40.5	Very low	45.8	Very low	113 Å²	113	89.3 Å²	89.3	53%	0.528	54%	0.539	S	S	.	.			trans	-78.6	112.7	172.1	-78.3	176.4	179.9	0	0	109.7	G11	G11-E13 PolarHBondContact O-N 3.27Å
14	I	44.8	Very low	47.3	Very low	90 Å²	90	90.7 Å²	90.7	46%	0.462	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-80.7	123.3	169.3	-57.4	175.2	0	0	0	107.3	A12 D37 Q38	A12-I14 PolarHBondContact O-N 2.92Å; I14-D37 CarbonylContact O-C 3.51Å; I14-D37 WeakPolarHBondContact O-CA 3.33Å; I14-Q38 HydrophobicContact CB-CB 4.39Å; I14-Q38 PolarHBondContact O-N 3.31Å
15	I	48.9	Very low	48.8	Very low	57 Å²	57	88 Å²	88	29%	0.292	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.1	175	-51	-175.9	0	0	0	107.4	I17 F35 I43 L45	I15-I17 HydrophobicContact CB-CG1 4.45Å; I15-I17 HydrophobicContact CG2-CD1 4.17Å; I15-I17 HydrophobicContact CG2-CG1 3.77Å; I15-I17 PolarHBondContact O-N 3.33Å; I15-F35 HydrophobicContact CG2-CB 3.44Å; I15-F35 VanDerWaalsContact CG2-CB 3.44Å; I15-F35 HydrophobicContact CG2-CG 4.12Å; I15-I43 HydrophobicContact CD1-CD1 3.69Å; I15-I43 HydrophobicContact CD1-CG2 4.27Å; I15-I43 HydrophobicContact CG1-CD1 3.84Å; I15-L45 HydrophobicContact CD1-CD1 4.24Å
16	E	48.6	Very low	50.5	Low	151 Å²	151	79.7 Å²	79.7	71%	0.706	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.4	172.7	-68.4	-174.4	176.2	0	0	108.9	V36	E16-V36 PolarHBondContact N-O 3.04Å
17	I	56.5	Low	52.4	Low	52 Å²	52	80.7 Å²	80.7	27%	0.267	46%	0.46	S	S	.	.			trans	-119.5	121.6	-177.3	-61.9	-177.1	0	0	0	108.4	I15 A19 L22 F35 L45	I15-I17 HydrophobicContact CB-CG1 4.45Å; I15-I17 HydrophobicContact CG2-CD1 4.17Å; I15-I17 HydrophobicContact CG2-CG1 3.77Å; I15-I17 PolarHBondContact O-N 3.33Å; I17-A19 PolarHBondContact O-N 2.98Å; I17-L22 HydrophobicContact CG2-CB 3.6Å; I17-L22 HydrophobicContact CG2-CD1 4.16Å; I17-L22 HydrophobicContact CG2-CD2 4.03Å; I17-L22 HydrophobicContact CG2-CG 4.13Å; I17-F35 HydrophobicContact CB-CD1 4.11Å; I17-F35 HydrophobicContact CB-CE1 4.11Å; I17-F35 HydrophobicContact CD1-CD1 4.47Å; I17-F35 HydrophobicContact CD1-CE1 4.49Å; I17-F35 HydrophobicContact CD1-CG 4.49Å; I17-F35 HydrophobicContact CD1-CZ 4.49Å; I17-F35 HydrophobicContact CG1-CD1 3.69Å; I17-F35 HydrophobicContact CG1-CD2 4.5Å; I17-F35 HydrophobicContact CG1-CE1 3.97Å; I17-F35 HydrophobicContact CG1-CG 3.97Å; I17-F35 HydrophobicContact CG1-CZ 4.44Å; I17-F35 HydrophobicContact CG2-CD1 4.05Å; I17-F35 HydrophobicContact CG2-CE1 3.53Å; I17-F35 HydrophobicContact CG2-CZ 4.05Å; I17-L45 HydrophobicContact CD1-CD1 4.5Å
18	D	59	Low	54.1	Low	89 Å²	89	77.8 Å²	77.8	48%	0.476	45%	0.45	S	S	.	.			trans	-66.2	126.9	170.4	175.3	68.3	0	0	0	109.8	A20 Q21 L22	D18-A20 VanDerWaalsContact C-N 3.25Å; D18-A20 PolarHBondContact O-N 3.29Å; D18-A20 WeakPolarHBondContact OD2-CB 3.34Å; D18-A20 PolarHBondContact OD2-N 3.34Å; D18-Q21 HydrophobicContact CB-CB 4.07Å; D18-Q21 HydrophobicContact CB-CG 4.01Å; D18-Q21 PolarHBondContact O-N 3.2Å; D18-Q21 VanDerWaalsContact O-N 3.11Å; D18-Q21 WeakPolarHBondContact OD2-CG 3.37Å; D18-Q21 PolarHBondContact OD2-N 3.04Å; D18-L22 PolarHBondContact O-N 3.06Å
19	A	57.7	Low	55.7	Low	60 Å²	60	75.8 Å²	75.8	50%	0.496	44%	0.444	S	S	.	.	H	α-helix	trans	-59.3	-36.9	-174.8	0	0	0	0	0	112.2	I17 L22 E23 L60	I17-A19 PolarHBondContact O-N 2.98Å; A19-L22 PolarHBondContact O-N 3.03Å; A19-E23 VanDerWaalsContact O-CB 3.31Å; A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 3.07Å; A19-L60 HydrophobicContact CB-CD2 4.37Å
20	A	61.1	Low	57.5	Low	50 Å²	50	77.9 Å²	77.9	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-71.9	-35.6	178.3	0	0	0	0	0	112.3	D18 Q24	D18-A20 VanDerWaalsContact C-N 3.25Å; D18-A20 PolarHBondContact O-N 3.29Å; D18-A20 WeakPolarHBondContact OD2-CB 3.34Å; D18-A20 PolarHBondContact OD2-N 3.34Å; A20-Q24 WeakPolarHBondContact O-CB 3.44Å; A20-Q24 WeakPolarHBondContact O-CG 3.33Å; A20-Q24 PolarHBondContact O-N 2.99Å
21	Q	61.2	Low	59.6	Low	95 Å²	95	73.3 Å²	73.3	44%	0.444	43%	0.431	S	S	.	.	H	α-helix	trans	-66.3	-40	171.7	-72	-174.9	-14.3	0	0	112.2	D18 L25	D18-Q21 HydrophobicContact CB-CB 4.07Å; D18-Q21 HydrophobicContact CB-CG 4.01Å; D18-Q21 PolarHBondContact O-N 3.2Å; D18-Q21 VanDerWaalsContact O-N 3.11Å; D18-Q21 WeakPolarHBondContact OD2-CG 3.37Å; D18-Q21 PolarHBondContact OD2-N 3.04Å; Q21-L25 PolarHBondContact O-N 3.14Å
22	L	65.3	Low	61.1	Low	13 Å²	13	71.7 Å²	71.7	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-65.8	-46.1	176.5	-173.7	57.3	0	0	0	111.8	I17 D18 A19 Q24 L25 L26 L50 F55 L60	I17-L22 HydrophobicContact CG2-CB 3.6Å; I17-L22 HydrophobicContact CG2-CD1 4.16Å; I17-L22 HydrophobicContact CG2-CD2 4.03Å; I17-L22 HydrophobicContact CG2-CG 4.13Å; D18-L22 PolarHBondContact O-N 3.06Å; A19-L22 PolarHBondContact O-N 3.03Å; L22-Q24 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-L26 HydrophobicContact CD1-CD1 3.85Å; L22-L26 HydrophobicContact CD1-CG 4.15Å; L22-L26 HydrophobicContact CG-CD1 3.77Å; L22-L26 HydrophobicContact CG-CG 4.44Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.06Å; L22-L50 HydrophobicContact CD1-CD1 3.59Å; L22-L50 HydrophobicContact CD1-CD2 4.44Å; L22-F55 HydrophobicContact CD2-CD1 4.17Å; L22-F55 HydrophobicContact CD2-CE1 4.5Å; L22-L60 HydrophobicContact CB-CD1 4.27Å; L22-L60 HydrophobicContact CD2-CD1 3.88Å; L22-L60 HydrophobicContact CD2-CD2 3.97Å; L22-L60 HydrophobicContact CD2-CG 4.46Å; L22-L60 HydrophobicContact CG-CD1 3.74Å
23	E	65.8	Low	62.3	Low	89 Å²	89	70.5 Å²	70.5	42%	0.416	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-46.8	176.6	-168.1	-173.6	-179.3	0	0	110.5	A19 L25 L26 V27 L60	A19-E23 VanDerWaalsContact O-CB 3.31Å; A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 3.07Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 3.38Å; E23-L26 PolarHBondContact O-N 3.3Å; E23-V27 HydrophobicContact CG-CG2 4.18Å; E23-V27 VanDerWaalsContact O-CB 3.25Å; E23-V27 WeakPolarHBondContact O-CB 3.31Å; E23-V27 WeakPolarHBondContact O-CG2 3.2Å; E23-V27 PolarHBondContact O-N 3.47Å; E23-L60 HydrophobicContact CB-CD1 4.35Å
24	Q	67.6	Low	63.5	Low	131 Å²	131	71.3 Å²	71.3	61%	0.612	40%	0.404	S	S	*	.	H	α-helix	trans	-58.7	-42.5	175	-80.6	179	13.2	0	0	112.8	A20 L22 L28	A20-Q24 WeakPolarHBondContact O-CB 3.44Å; A20-Q24 WeakPolarHBondContact O-CG 3.33Å; A20-Q24 PolarHBondContact O-N 2.99Å; L22-Q24 PolarHBondContact O-N 3.38Å; Q24-L28 WeakPolarHBondContact O-CB 3.36Å; Q24-L28 WeakPolarHBondContact O-CD1 3.48Å; Q24-L28 VanDerWaalsContact O-CG 3.28Å; Q24-L28 WeakPolarHBondContact O-CG 3.22Å; Q24-L28 PolarHBondContact O-N 3.15Å; Q24-L28 VanDerWaalsContact O-N 3.11Å
25	L	66.4	Low	64.3	Low	18 Å²	18	67.2 Å²	67.2	9%	0.094	38%	0.383	C	S	.	.	H	α-helix	trans	-66.1	-42.5	179.9	-141.8	93	0	0	0	112.2	Q21 L22 E23 G29 A33 A47 L50	Q21-L25 PolarHBondContact O-N 3.14Å; L22-L25 PolarHBondContact O-N 3.24Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 3.38Å; L25-G29 PolarHBondContact O-N 3.49Å; L25-A33 HydrophobicContact CD1-CB 3.4Å; L25-A33 VanDerWaalsContact CD1-CB 3.4Å; L25-A33 HydrophobicContact CD2-CB 4.39Å; L25-A33 HydrophobicContact CG-CB 4.5Å; L25-A47 HydrophobicContact CD2-CB 4.1Å; L25-A47 HydrophobicContact CG-CB 4.21Å; L25-A47 WeakPolarHBondContact O-CB 3.48Å; L25-L50 HydrophobicContact CD2-CD1 3.49Å; L25-L50 VanDerWaalsContact CD2-CD1 3.49Å
26	L	69.7	Low	64.4	Low	14 Å²	14	68 Å²	68	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-75.9	-32.3	-178.1	-66.6	171.5	0	0	0	112.5	L22 E23 L50 I51 F55 A57 L60	L22-L26 HydrophobicContact CD1-CD1 3.85Å; L22-L26 HydrophobicContact CD1-CG 4.15Å; L22-L26 HydrophobicContact CG-CD1 3.77Å; L22-L26 HydrophobicContact CG-CG 4.44Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.06Å; E23-L26 PolarHBondContact O-N 3.3Å; L26-L50 HydrophobicContact CD2-CB 3.92Å; L26-I51 HydrophobicContact CD2-CG1 3.96Å; L26-F55 HydrophobicContact CD1-CB 3.81Å; L26-F55 HydrophobicContact CD2-CB 3.93Å; L26-F55 WeakPolarHBondContact CD2-O 3.5Å; L26-A57 HydrophobicContact CB-CB 3.98Å; L26-L60 HydrophobicContact CD1-CD1 3.58Å
27	V	75.4	Confident	64.9	Low	96 Å²	96	61.1 Å²	61.1	58%	0.582	36%	0.359	S	S	*	.	H	α-helix	trans	-70.6	-42	176.1	168.7	0	0	0	0	111.4	E23 G29 A57	E23-V27 HydrophobicContact CG-CG2 4.18Å; E23-V27 VanDerWaalsContact O-CB 3.25Å; E23-V27 WeakPolarHBondContact O-CB 3.31Å; E23-V27 WeakPolarHBondContact O-CG2 3.2Å; E23-V27 PolarHBondContact O-N 3.47Å; V27-G29 VanDerWaalsContact C-N 3.27Å; V27-G29 PolarHBondContact O-N 3.06Å; V27-A57 HydrophobicContact CG2-CB 3.64Å
28	L	72.3	Confident	64.4	Low	118 Å²	118	63 Å²	63	62%	0.618	37%	0.366	S	S	*	.	H	α-helix	trans	-68	-32.1	177.1	-72.5	169.9	0	0	0	111.1	Q24 D30	Q24-L28 WeakPolarHBondContact O-CB 3.36Å; Q24-L28 WeakPolarHBondContact O-CD1 3.48Å; Q24-L28 VanDerWaalsContact O-CG 3.28Å; Q24-L28 WeakPolarHBondContact O-CG 3.22Å; Q24-L28 PolarHBondContact O-N 3.15Å; Q24-L28 VanDerWaalsContact O-N 3.11Å; L28-D30 PolarHBondContact O-N 3.33Å
29	G	67.4	Low	64.1	Low	34 Å²	34	64.3 Å²	64.3	35%	0.351	37%	0.369	S	S	.	.	S	Bend	trans	66.5	2.4	-179.8	0	0	0	0	0	113.2	L25 V27	L25-G29 PolarHBondContact O-N 3.49Å; V27-G29 VanDerWaalsContact C-N 3.27Å; V27-G29 PolarHBondContact O-N 3.06Å
30	D	69.9	Low	64.1	Low	109 Å²	109	64 Å²	64	58%	0.583	37%	0.372	S	S	*	.	S	Bend	trans	-139.7	156	174.4	68.4	-5.8	0	0	0	109.9	L28	L28-D30 PolarHBondContact O-N 3.33Å
31	G	75.4	Confident	63.9	Low	47 Å²	47	65.9 Å²	65.9	49%	0.485	38%	0.375	S	S	.	.			trans	109	178.4	179.8	0	0	0	0	0	114.5	T46 A47	G31-T46 WeakPolarHBondContact O-CA 3.42Å; G31-A47 PolarHBondContact O-N 3.11Å
32	A	72	Confident	63.8	Low	39 Å²	39	65.6 Å²	65.6	32%	0.322	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.1	178.2	0	0	0	0	0	109.2	R44 L45 T46	A32-R44 HydrophobicContact CB-CG 4.03Å; A32-L45 CarbonylContact C-O 3.53Å; A32-L45 WeakPolarHBondContact CA-O 3.35Å; A32-T46 HydrophobicContact CB-CG2 4.09Å
33	A	63.2	Low	63.4	Low	15 Å²	15	66.7 Å²	66.7	12%	0.124	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.3	171.8	0	0	0	0	0	110.4	L25 F35 R44 L45	L25-A33 HydrophobicContact CD1-CB 3.4Å; L25-A33 VanDerWaalsContact CD1-CB 3.4Å; L25-A33 HydrophobicContact CD2-CB 4.39Å; L25-A33 HydrophobicContact CG-CB 4.5Å; A33-F35 HydrophobicContact CB-CD2 4.38Å; A33-F35 HydrophobicContact CB-CE1 4.04Å; A33-F35 HydrophobicContact CB-CE2 3.58Å; A33-F35 HydrophobicContact CB-CZ 3.4Å; A33-F35 VanDerWaalsContact CB-CZ 3.4Å; A33-R44 CarbonylContact O-C 3.55Å; A33-R44 WeakPolarHBondContact O-CA 3.34Å; A33-L45 PolarHBondContact N-O 3.4Å; A33-L45 PolarHBondContact O-N 3.08Å
34	E	65.7	Low	63.4	Low	130 Å²	130	70.7 Å²	70.7	61%	0.607	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.2	172.1	-75.7	-179.1	179.3	0	0	108.2	T42 I43 R44	E34-T42 HydrophobicContact CB-CG2 3.59Å; E34-T42 HydrophobicContact CG-CG2 3.81Å; E34-I43 CarbonylContact C-O 3.51Å; E34-I43 WeakPolarHBondContact CA-O 3.22Å; E34-R44 HydrophobicContact CG-CB 4.28Å; E34-R44 HydrophobicContact CG-CG 4.26Å
35	F	60.7	Low	63.3	Low	4 Å²	4	66 Å²	66	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	158.5	176	-58.7	-69.3	0	0	0	109.5	I15 I17 A33 T42 I43 L45	I15-F35 HydrophobicContact CG2-CB 3.44Å; I15-F35 VanDerWaalsContact CG2-CB 3.44Å; I15-F35 HydrophobicContact CG2-CG 4.12Å; I17-F35 HydrophobicContact CB-CD1 4.11Å; I17-F35 HydrophobicContact CB-CE1 4.11Å; I17-F35 HydrophobicContact CD1-CD1 4.47Å; I17-F35 HydrophobicContact CD1-CE1 4.49Å; I17-F35 HydrophobicContact CD1-CG 4.49Å; I17-F35 HydrophobicContact CD1-CZ 4.49Å; I17-F35 HydrophobicContact CG1-CD1 3.69Å; I17-F35 HydrophobicContact CG1-CD2 4.5Å; I17-F35 HydrophobicContact CG1-CE1 3.97Å; I17-F35 HydrophobicContact CG1-CG 3.97Å; I17-F35 HydrophobicContact CG1-CZ 4.44Å; I17-F35 HydrophobicContact CG2-CD1 4.05Å; I17-F35 HydrophobicContact CG2-CE1 3.53Å; I17-F35 HydrophobicContact CG2-CZ 4.05Å; A33-F35 HydrophobicContact CB-CD2 4.38Å; A33-F35 HydrophobicContact CB-CE1 4.04Å; A33-F35 HydrophobicContact CB-CE2 3.58Å; A33-F35 HydrophobicContact CB-CZ 3.4Å; A33-F35 VanDerWaalsContact CB-CZ 3.4Å; F35-T42 CarbonylContact O-C 3.56Å; F35-T42 WeakPolarHBondContact O-CA 3.35Å; F35-I43 PolarHBondContact N-O 3.3Å; F35-I43 PolarHBondContact O-N 2.88Å; F35-L45 HydrophobicContact CD2-CB 4.05Å; F35-L45 HydrophobicContact CD2-CD1 3.71Å; F35-L45 HydrophobicContact CD2-CG 3.96Å; F35-L45 HydrophobicContact CE2-CB 3.91Å; F35-L45 HydrophobicContact CE2-CD1 3.99Å; F35-L45 HydrophobicContact CE2-CG 4.27Å
36	V	52.4	Low	63.6	Low	75 Å²	75	67.2 Å²	67.2	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.7	178	-175.6	0	0	0	0	107.6	E16 N41	E16-V36 PolarHBondContact N-O 3.04Å; V36-N41 WeakPolarHBondContact CA-O 3.32Å
37	D	57.6	Low	63.6	Low	6 Å²	6	66.6 Å²	66.6	3%	0.032	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	170.2	171.9	79.8	-6.9	0	0	0	110.8	I14 H39 G40 N41 I43	I14-D37 CarbonylContact O-C 3.51Å; I14-D37 WeakPolarHBondContact O-CA 3.33Å; D37-H39 PolarHBondContact O-N 3.32Å; D37-H39 VanDerWaalsContact OD1-C 3.25Å; D37-H39 VanDerWaalsContact OD1-CA 3.24Å; D37-H39 WeakPolarHBondContact OD1-CA 3.37Å; D37-H39 WeakPolarHBondContact OD1-CB 3.38Å; D37-H39 PolarHBondContact OD1-N 3.1Å; D37-H39 IonicContact OD2-CG 3.92Å; D37-H39 IonicContact OD2-ND1 2.96Å; D37-H39 PolarHBondContact OD2-ND1 3.1Å; D37-H39 VanDerWaalsContact OD2-ND1 3.1Å; D37-G40 PolarHBondContact O-N 3.47Å; D37-G40 PolarHBondContact OD1-N 3.49Å; D37-N41 PolarHBondContact N-O 3.46Å; D37-N41 WeakPolarHBondContact OD1-CA 2.68Å; D37-N41 WeakPolarHBondContact OD1-CB 3.18Å; D37-N41 PolarHBondContact OD1-N 3.35Å; D37-N41 PolarHBondContact OD2-ND2 3.3Å; D37-I43 HydrophobicContact CB-CD1 3.7Å; D37-I43 HydrophobicContact CB-CG1 4.35Å
38	Q	46.8	Very low	63.5	Low	90 Å²	90	68.7 Å²	68.7	42%	0.421	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-13.2	174.2	69	-170.1	-6.3	0	0	115.1	A12 I14	A12-Q38 PolarHBondContact O-NE2 2.89Å; I14-Q38 HydrophobicContact CB-CB 4.39Å; I14-Q38 PolarHBondContact O-N 3.31Å
39	H	52.3	Low	63.3	Low	117 Å²	117	67.5 Å²	67.5	54%	0.542	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.9	178.4	-50.2	107.1	0	0	0	113	D37 N41	D37-H39 PolarHBondContact O-N 3.32Å; D37-H39 VanDerWaalsContact OD1-C 3.25Å; D37-H39 VanDerWaalsContact OD1-CA 3.24Å; D37-H39 WeakPolarHBondContact OD1-CA 3.37Å; D37-H39 WeakPolarHBondContact OD1-CB 3.38Å; D37-H39 PolarHBondContact OD1-N 3.1Å; D37-H39 IonicContact OD2-CG 3.92Å; D37-H39 IonicContact OD2-ND1 2.96Å; D37-H39 PolarHBondContact OD2-ND1 3.1Å; D37-H39 VanDerWaalsContact OD2-ND1 3.1Å; H39-N41 VanDerWaalsContact C-N 3.34Å
40	G	58.8	Low	63.2	Low	54 Å²	54	66.2 Å²	66.2	56%	0.557	36%	0.36	S	S	*	.	S	Bend	trans	81.2	11.6	-175.9	0	0	0	0	0	114.2	D37	D37-G40 PolarHBondContact O-N 3.47Å; D37-G40 PolarHBondContact OD1-N 3.49Å
41	N	55.6	Low	62.9	Low	89 Å²	89	65 Å²	65	48%	0.476	35%	0.353	S	S	.	.			trans	-81	139	173.8	-55.9	-47.3	0	0	0	110.2	V36 D37 H39 I43	V36-N41 WeakPolarHBondContact CA-O 3.32Å; D37-N41 PolarHBondContact N-O 3.46Å; D37-N41 WeakPolarHBondContact OD1-CA 2.68Å; D37-N41 WeakPolarHBondContact OD1-CB 3.18Å; D37-N41 PolarHBondContact OD1-N 3.35Å; D37-N41 PolarHBondContact OD2-ND2 3.3Å; H39-N41 VanDerWaalsContact C-N 3.34Å; N41-I43 PolarHBondContact O-N 3.03Å
42	T	60.3	Low	62.4	Low	90 Å²	90	70.8 Å²	70.8	55%	0.552	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	113.8	174.4	-48.3	0	0	0	0	110	E34 F35	E34-T42 HydrophobicContact CB-CG2 3.59Å; E34-T42 HydrophobicContact CG-CG2 3.81Å; F35-T42 CarbonylContact O-C 3.56Å; F35-T42 WeakPolarHBondContact O-CA 3.35Å
43	I	55.2	Low	61.8	Low	35 Å²	35	72.3 Å²	72.3	18%	0.179	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.4	173.8	-59.9	177.4	0	0	0	108.4	I15 E34 F35 D37 N41 L45	I15-I43 HydrophobicContact CD1-CD1 3.69Å; I15-I43 HydrophobicContact CD1-CG2 4.27Å; I15-I43 HydrophobicContact CG1-CD1 3.84Å; E34-I43 CarbonylContact C-O 3.51Å; E34-I43 WeakPolarHBondContact CA-O 3.22Å; F35-I43 PolarHBondContact N-O 3.3Å; F35-I43 PolarHBondContact O-N 2.88Å; D37-I43 HydrophobicContact CB-CD1 3.7Å; D37-I43 HydrophobicContact CB-CG1 4.35Å; N41-I43 PolarHBondContact O-N 3.03Å; I43-L45 HydrophobicContact CG2-CD2 4.05Å; I43-L45 HydrophobicContact CG2-CG 4.1Å
44	R	67	Low	61.7	Low	174 Å²	174	74.2 Å²	74.2	66%	0.657	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.4	176.9	-172.4	174.4	172.9	-168.5	-2.8	109.6	A32 A33 E34	A32-R44 HydrophobicContact CB-CG 4.03Å; A33-R44 CarbonylContact O-C 3.55Å; A33-R44 WeakPolarHBondContact O-CA 3.34Å; E34-R44 HydrophobicContact CG-CB 4.28Å; E34-R44 HydrophobicContact CG-CG 4.26Å
45	L	64.4	Low	61.2	Low	33 Å²	33	72.3 Å²	72.3	17%	0.173	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138	175.8	-58.5	172.6	0	0	0	110.2	I15 I17 A32 A33 F35 I43 E49 L50	I15-L45 HydrophobicContact CD1-CD1 4.24Å; I17-L45 HydrophobicContact CD1-CD1 4.5Å; A32-L45 CarbonylContact C-O 3.53Å; A32-L45 WeakPolarHBondContact CA-O 3.35Å; A33-L45 PolarHBondContact N-O 3.4Å; A33-L45 PolarHBondContact O-N 3.08Å; F35-L45 HydrophobicContact CD2-CB 4.05Å; F35-L45 HydrophobicContact CD2-CD1 3.71Å; F35-L45 HydrophobicContact CD2-CG 3.96Å; F35-L45 HydrophobicContact CE2-CB 3.91Å; F35-L45 HydrophobicContact CE2-CD1 3.99Å; F35-L45 HydrophobicContact CE2-CG 4.27Å; I43-L45 HydrophobicContact CG2-CD2 4.05Å; I43-L45 HydrophobicContact CG2-CG 4.1Å; L45-E49 WeakPolarHBondContact CA-OE2 3.4Å; L45-L50 HydrophobicContact CB-CG 4.32Å; L45-L50 HydrophobicContact CD1-CD2 3.89Å
46	T	73.1	Confident	61.2	Low	43 Å²	43	75.2 Å²	75.2	26%	0.264	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	155.4	174.1	60.2	0	0	0	0	111.5	G31 A32 E48 E49 L50	G31-T46 WeakPolarHBondContact O-CA 3.42Å; A32-T46 HydrophobicContact CB-CG2 4.09Å; T46-E48 PolarHBondContact O-N 2.64Å; T46-E49 PolarHBondContact N-OE2 3.44Å; T46-E49 PolarHBondContact O-N 2.96Å; T46-E49 WeakPolarHBondContact OG1-CB 3.49Å; T46-E49 VanDerWaalsContact OG1-CD 3.24Å; T46-E49 WeakPolarHBondContact OG1-CG 3.47Å; T46-E49 PolarHBondContact OG1-N 3.03Å; T46-E49 VanDerWaalsContact OG1-N 3.08Å; T46-E49 PolarHBondContact OG1-OE2 3.41Å; T46-L50 PolarHBondContact O-N 2.71Å; T46-L50 VanDerWaalsContact O-N 3.07Å
47	A	70.5	Confident	61.6	Low	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-57.5	-36.5	171.6	0	0	0	0	0	111.4	L25 G31 L50 I51	L25-A47 HydrophobicContact CD2-CB 4.1Å; L25-A47 HydrophobicContact CG-CB 4.21Å; L25-A47 WeakPolarHBondContact O-CB 3.48Å; G31-A47 PolarHBondContact O-N 3.11Å; A47-L50 PolarHBondContact O-N 3.35Å; A47-I51 WeakPolarHBondContact O-CB 3.46Å; A47-I51 WeakPolarHBondContact O-CD1 3.39Å; A47-I51 WeakPolarHBondContact O-CG1 3.26Å; A47-I51 PolarHBondContact O-N 3.15Å
48	E	73.1	Confident	61.6	Low	140 Å²	140	78.8 Å²	78.8	65%	0.654	43%	0.429	S	S	*	.	H	α-helix	trans	-61	-48.7	174.5	-68.3	-179.4	170.1	0	0	111.7	T46 L50 I51 E52	T46-E48 PolarHBondContact O-N 2.64Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 3.02Å; E48-I51 PolarHBondContact O-N 3.03Å; E48-E52 WeakPolarHBondContact O-CB 3.39Å; E48-E52 VanDerWaalsContact O-CG 3.32Å; E48-E52 WeakPolarHBondContact O-CG 3.35Å; E48-E52 PolarHBondContact O-N 3.37Å
49	E	68.9	Low	61.8	Low	94 Å²	94	78.6 Å²	78.6	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-38	177.7	-75.8	162	150.7	0	0	112.5	L45 T46 A53	L45-E49 WeakPolarHBondContact CA-OE2 3.4Å; T46-E49 PolarHBondContact N-OE2 3.44Å; T46-E49 PolarHBondContact O-N 2.96Å; T46-E49 WeakPolarHBondContact OG1-CB 3.49Å; T46-E49 VanDerWaalsContact OG1-CD 3.24Å; T46-E49 WeakPolarHBondContact OG1-CG 3.47Å; T46-E49 PolarHBondContact OG1-N 3.03Å; T46-E49 VanDerWaalsContact OG1-N 3.08Å; T46-E49 PolarHBondContact OG1-OE2 3.41Å; E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.44Å; E49-A53 PolarHBondContact O-N 3.03Å
50	L	63.7	Low	61.6	Low	6 Å²	6	74.9 Å²	74.9	3%	0.031	42%	0.422	C	S	.	.	H	α-helix	trans	-71.2	-39.3	177	-69.2	173.7	0	0	0	112	L22 L25 L26 L45 T46 A47 E48 A53 G54 F55	L22-L50 HydrophobicContact CD1-CD1 3.59Å; L22-L50 HydrophobicContact CD1-CD2 4.44Å; L25-L50 HydrophobicContact CD2-CD1 3.49Å; L25-L50 VanDerWaalsContact CD2-CD1 3.49Å; L26-L50 HydrophobicContact CD2-CB 3.92Å; L45-L50 HydrophobicContact CB-CG 4.32Å; L45-L50 HydrophobicContact CD1-CD2 3.89Å; T46-L50 PolarHBondContact O-N 2.71Å; T46-L50 VanDerWaalsContact O-N 3.07Å; A47-L50 PolarHBondContact O-N 3.35Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 3.02Å; L50-A53 CarbonylContact O-C 3.49Å; L50-A53 PolarHBondContact O-N 3.31Å; L50-G54 PolarHBondContact O-N 3.45Å; L50-F55 HydrophobicContact CB-CB 4.29Å; L50-F55 HydrophobicContact CB-CD2 4.36Å; L50-F55 HydrophobicContact CD2-CD2 3.95Å; L50-F55 HydrophobicContact CD2-CE2 4.2Å; L50-F55 WeakPolarHBondContact O-CB 3.31Å; L50-F55 WeakPolarHBondContact O-CD2 3.5Å; L50-F55 PolarHBondContact O-N 3.17Å
51	I	64	Low	60.8	Low	83 Å²	83	77.8 Å²	77.8	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-40.7	175.3	-68.3	164.1	0	0	0	110.5	L26 A47 E48 A53 G54	L26-I51 HydrophobicContact CD2-CG1 3.96Å; A47-I51 WeakPolarHBondContact O-CB 3.46Å; A47-I51 WeakPolarHBondContact O-CD1 3.39Å; A47-I51 WeakPolarHBondContact O-CG1 3.26Å; A47-I51 PolarHBondContact O-N 3.15Å; E48-I51 PolarHBondContact O-N 3.03Å; I51-A53 VanDerWaalsContact C-N 3.27Å; I51-A53 PolarHBondContact O-N 2.82Å; I51-G54 PolarHBondContact O-N 3.28Å
52	E	66.2	Low	60	Low	169 Å²	169	81.8 Å²	81.8	79%	0.79	44%	0.437	S	S	*	.	H	α-helix	trans	-63.8	-32.2	173.6	-75.8	-175.7	174.3	0	0	112.1	E48 G54	E48-E52 WeakPolarHBondContact O-CB 3.39Å; E48-E52 VanDerWaalsContact O-CG 3.32Å; E48-E52 WeakPolarHBondContact O-CG 3.35Å; E48-E52 PolarHBondContact O-N 3.37Å; E52-G54 VanDerWaalsContact C-N 3.26Å; E52-G54 PolarHBondContact O-N 3Å
53	A	59.2	Low	58.9	Low	71 Å²	71	81.2 Å²	81.2	59%	0.587	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.5	172.5	0	0	0	0	0	114.2	E49 L50 I51 F55	E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.44Å; E49-A53 PolarHBondContact O-N 3.03Å; L50-A53 CarbonylContact O-C 3.49Å; L50-A53 PolarHBondContact O-N 3.31Å; I51-A53 VanDerWaalsContact C-N 3.27Å; I51-A53 PolarHBondContact O-N 2.82Å; A53-F55 HydrophobicContact CB-CD2 4.02Å; A53-F55 HydrophobicContact CB-CE2 4.11Å
54	G	59.4	Low	58.1	Low	56 Å²	56	83.2 Å²	83.2	58%	0.577	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	7.8	173.9	0	0	0	0	0	115.8	L50 I51 E52	L50-G54 PolarHBondContact O-N 3.45Å; I51-G54 PolarHBondContact O-N 3.28Å; E52-G54 VanDerWaalsContact C-N 3.26Å; E52-G54 PolarHBondContact O-N 3Å
55	F	55.3	Low	56.5	Low	89 Å²	89	80.1 Å²	80.1	39%	0.39	45%	0.45	S	S	.	.			trans	-76.9	132.1	173.5	-65	-90.7	0	0	0	110.6	L22 L26 L50 A53	L22-F55 HydrophobicContact CD2-CD1 4.17Å; L22-F55 HydrophobicContact CD2-CE1 4.5Å; L26-F55 HydrophobicContact CD1-CB 3.81Å; L26-F55 HydrophobicContact CD2-CB 3.93Å; L26-F55 WeakPolarHBondContact CD2-O 3.5Å; L50-F55 HydrophobicContact CB-CB 4.29Å; L50-F55 HydrophobicContact CB-CD2 4.36Å; L50-F55 HydrophobicContact CD2-CD2 3.95Å; L50-F55 HydrophobicContact CD2-CE2 4.2Å; L50-F55 WeakPolarHBondContact O-CB 3.31Å; L50-F55 WeakPolarHBondContact O-CD2 3.5Å; L50-F55 PolarHBondContact O-N 3.17Å; A53-F55 HydrophobicContact CB-CD2 4.02Å; A53-F55 HydrophobicContact CB-CE2 4.11Å
56	T	61.7	Low	55.1	Low	65 Å²	65	83 Å²	83	40%	0.399	47%	0.473	S	S	.	.			trans	-130.1	147.8	173.6	64.9	0	0	0	0	110.2	D58 S59	T56-D58 PolarHBondContact O-N 3.38Å; T56-S59 VanDerWaalsContact O-CB 3.31Å; T56-S59 WeakPolarHBondContact O-CB 3.31Å; T56-S59 PolarHBondContact O-N 3.32Å; T56-S59 PolarHBondContact OG1-OG 3.35Å
57	A	59.7	Low	53.4	Low	23 Å²	23	89.6 Å²	89.6	19%	0.19	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-56.3	-34.8	177.9	0	0	0	0	0	112.3	L26 V27 S59 L60	L26-A57 HydrophobicContact CB-CB 3.98Å; V27-A57 HydrophobicContact CG2-CB 3.64Å; A57-S59 PolarHBondContact O-N 2.88Å; A57-L60 PolarHBondContact O-N 2.96Å
58	D	58.6	Low	51.5	Low	133 Å²	133	95 Å²	95	71%	0.711	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16	177.3	-59.5	-23.4	0	0	0	113.4	T56 L60	T56-D58 PolarHBondContact O-N 3.38Å; D58-L60 VanDerWaalsContact C-N 3.3Å
59	S	50.7	Low	49.4	Very low	86 Å²	86	96 Å²	96	60%	0.601	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-84.5	-2.7	179.2	-56.6	0	0	0	0	113.3	T56 A57	T56-S59 VanDerWaalsContact O-CB 3.31Å; T56-S59 WeakPolarHBondContact O-CB 3.31Å; T56-S59 PolarHBondContact O-N 3.32Å; T56-S59 PolarHBondContact OG1-OG 3.35Å; A57-S59 PolarHBondContact O-N 2.88Å
60	L	47.9	Very low	47.6	Very low	40 Å²	40	100.7 Å²	100.7	21%	0.209	56%	0.558	C	S	.	*			trans	-109.8	0.8	-172.2	-78.9	148.1	0	0	0	114.6	A19 L22 E23 L26 A57 D58 E62	A19-L60 HydrophobicContact CB-CD2 4.37Å; L22-L60 HydrophobicContact CB-CD1 4.27Å; L22-L60 HydrophobicContact CD2-CD1 3.88Å; L22-L60 HydrophobicContact CD2-CD2 3.97Å; L22-L60 HydrophobicContact CD2-CG 4.46Å; L22-L60 HydrophobicContact CG-CD1 3.74Å; E23-L60 HydrophobicContact CB-CD1 4.35Å; L26-L60 HydrophobicContact CD1-CD1 3.58Å; A57-L60 PolarHBondContact O-N 2.96Å; D58-L60 VanDerWaalsContact C-N 3.3Å; L60-E62 PolarHBondContact O-N 2.95Å
61	E	42.8	Very low	45.9	Very low	114 Å²	114	105.8 Å²	105.8	53%	0.533	59%	0.59	S	S	.	*			trans	-66.1	122.2	-178.6	-69.8	-160.4	172	0	0	112.4	S63 S64	E61-S63 PolarHBondContact O-N 3.35Å; E61-S64 WeakPolarHBondContact O-CB 3.31Å; E61-S64 PolarHBondContact O-N 3.37Å
62	E	38.4	Very low	44.2	Very low	174 Å²	174	107.2 Å²	107.2	81%	0.813	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-54.5	-16	178.6	-65.5	-173.1	146.9	0	0	114.5	L60	L60-E62 PolarHBondContact O-N 2.95Å
63	S	37.5	Very low	42.3	Very low	78 Å²	78	104.1 Å²	104.1	55%	0.545	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-75	-23	174	58.6	0	0	0	0	113.1	E61 L65 S66	E61-S63 PolarHBondContact O-N 3.35Å; S63-L65 VanDerWaalsContact C-N 3.34Å; S63-S66 PolarHBondContact O-OG 3.24Å
64	S	38.7	Very low	40.8	Very low	77 Å²	77	106.2 Å²	106.2	54%	0.538	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-83.4	-8.9	177.3	-57.3	0	0	0	0	113.3	E61	E61-S64 WeakPolarHBondContact O-CB 3.31Å; E61-S64 PolarHBondContact O-N 3.37Å
65	L	33.6	Very low	39.3	Very low	109 Å²	109	107.3 Å²	107.3	57%	0.571	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-98.7	-0.4	-174.6	-63.6	174.9	0	0	0	113.8	S63 H67 M68	S63-L65 VanDerWaalsContact C-N 3.34Å; L65-H67 VanDerWaalsContact C-N 3.34Å; L65-H67 PolarHBondContact O-N 3.45Å; L65-M68 HydrophobicContact CD2-SD 4.02Å
66	S	33.6	Very low	38.2	Very low	94 Å²	94	110.3 Å²	110.3	66%	0.657	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-0.9	-176.2	61	0	0	0	0	115.3	S63	S63-S66 PolarHBondContact O-OG 3.24Å
67	H	37.5	Very low	36.5	Very low	180 Å²	180	112.4 Å²	112.4	83%	0.833	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	10.7	177.2	-82.4	-76.4	0	0	0	113.8	L65	L65-H67 VanDerWaalsContact C-N 3.34Å; L65-H67 PolarHBondContact O-N 3.45Å
68	M	30.8	Very low	35.2	Very low	115 Å²	115	116.6 Å²	116.6	57%	0.567	66%	0.657	S	S	*	*			trans	-106.3	66.9	-172.6	-61.9	-167.4	75.6	0	0	112.5	L65 V71	L65-M68 HydrophobicContact CD2-SD 4.02Å; M68-V71 HydrophobicContact CE-CG2 4.34Å
69	D	30.3	Very low	33.8	Very low	160 Å²	160	114.5 Å²	114.5	86%	0.856	67%	0.668	S	S	*	*			trans	-82.1	123.9	155.4	-75.8	-39.9	0	0	0	107.3
70	E	29.8	Very low	32.7	Very low	193 Å²	193	113.3 Å²	113.3	90%	0.902	67%	0.669	S	S	*	*			trans	90.6	68	-177.9	-54.1	-177.6	176.4	0	0	116.8
71	V	27.7	Very low	31.7	Very low	113 Å²	113	119.6 Å²	119.6	69%	0.685	70%	0.697	S	S	*	*			trans	-80.4	116.1	158.6	176.6	0	0	0	0	109.1	M68	M68-V71 HydrophobicContact CE-CG2 4.34Å
72	S	28.7	Very low	30.9	Very low	113 Å²	113	123.7 Å²	123.7	79%	0.79	71%	0.709	S	S	*	*			trans	-143.9	129.8	158	56.5	0	0	0	0	111.4
73	T	26.6	Very low	30.3	Very low	104 Å²	104	125.8 Å²	125.8	64%	0.638	71%	0.711	S	S	*	*			trans	-68	153.8	-173.3	45.6	0	0	0	0	114
74	Y	27.2	Very low	29.6	Very low	114 Å²	114	127.8 Å²	127.8	45%	0.447	72%	0.719	S	S	.	*			trans	179	144.6	131	-92.4	-60.7	0	0	0	113.2	S6 E7 V8	S6-Y74 WeakPolarHBondContact O-CD1 3.47Å; S6-Y74 WeakPolarHBondContact O-CE1 3.24Å; S6-Y74 WeakPolarHBondContact O-CE2 3.39Å; S6-Y74 PolarHBondContact O-OH 2.94Å; E7-Y74 WeakPolarHBondContact CA-OH 3.47Å; E7-Y74 PolarHBondContact N-OH 2.96Å; V8-Y74 HydrophobicContact CG2-CE1 3.88Å
75	A	29.5	Very low	28.9	Very low	79 Å²	79	132 Å²	132	65%	0.653	73%	0.734	S	S	*	*			trans	-127	145	178.9	0	0	0	0	0	110.8
76	D	30.9	Very low	28.4	Very low	153 Å²	153	130 Å²	130	82%	0.818	74%	0.74	S	S	*	*			trans	-119.9	161.2	178.6	-172.7	18.7	0	0	0	112.3
77	T	27.2	Very low	28	Very low	109 Å²	109	136 Å²	136	67%	0.669	75%	0.748	S	S	*	*	S	Bend	trans	-96.7	80.6	-147.9	52.4	0	0	0	0	115
78	S	31.5	Very low	27.4	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	74%	0.741	S	S	*	*	S	Bend	trans	-171.2	121.2	153.4	51.6	0	0	0	0	109.2
79	G	30	Very low	27.2	Very low	90 Å²	90	132.3 Å²	132.3	93%	0.928	75%	0.753	S	S	*	*	S	Bend	trans	-48.4	135.1	-163.5	0	0	0	0	0	117.4
80	G	26.4	Very low	27.1	Very low	60 Å²	60	129.4 Å²	129.4	62%	0.619	73%	0.734	S	S	*	*	S	Bend	trans	108	96.3	157.1	0	0	0	0	0	115.5
81	E	27.5	Very low	26.9	Very low	172 Å²	172	129.2 Å²	129.2	80%	0.804	73%	0.733	S	S	*	*			trans	70.5	128.8	170.7	-53.2	-173.8	152	0	0	115.1
82	Y	26	Very low	26.8	Very low	200 Å²	200	128.7 Å²	128.7	78%	0.784	73%	0.732	S	S	*	*				171.6	138.4	125.2	-61.1	-47.4	0	0	0	110.4
83	Y	25.2	Very low	26.7	Very low	219 Å²	219	129.3 Å²	129.3	86%	0.859	73%	0.733	S	S	*	*			trans	-126.8	137.6	144.3	-74.9	-77	0	0	0	108.2
84	V	22.6	Very low	26.6	Very low	119 Å²	119	136.5 Å²	136.5	72%	0.721	75%	0.749	S	S	*	*			trans	-129.5	140.2	174.3	-179.5	0	0	0	0	105.7
85	I	23.9	Very low	26.4	Very low	165 Å²	165	139 Å²	139	85%	0.846	77%	0.769	S	S	*	*				-178.9	143.3	104.9	-77.6	152.8	0	0	0	109.2
86	G	23.4	Very low	26.1	Very low	67 Å²	67	143.4 Å²	143.4	69%	0.691	78%	0.776	S	S	*	*			trans	-94.8	-168.9	174.8	0	0	0	0	0	113.9
87	R	25.5	Very low	26.1	Very low	221 Å²	221	143.2 Å²	143.2	83%	0.834	77%	0.774	S	S	*	*			cis	-158	151.8	-2.5	-89.4	-168	-178.8	-153.3	4.3	107.8
88	G	24.4	Very low	26	Very low	67 Å²	67	142.8 Å²	142.8	69%	0.691	78%	0.781	S	S	*	*			trans	158.5	134.6	164.6	0	0	0	0	0	107.6
89	D	27.6	Very low	26.1	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	78%	0.784	S	S	*	*			cis	-156.8	147.6	32.7	-73.8	-46.2	0	0	0	112.5
90	H	27.4	Very low	26.2	Very low	99 Å²	99	147 Å²	147	46%	0.458	78%	0.782	S	S	.	*			trans	14.2	132.1	143.9	-59.8	-76.8	0	0	0	123.4	R148 E152	H90-R148 PolarHBondContact CE1-NH1 3.26Å; H90-R148 VanDerWaalsContact CE1-NH1 3.3Å; H90-R148 PolarHBondContact ND1-NH1 3.01Å; H90-E152 IonicContact CD2-OE1 2.86Å; H90-E152 IonicContact CE1-OE1 3.18Å; H90-E152 PolarHBondContact CE1-OE1 2.91Å; H90-E152 IonicContact NE2-OE1 2.98Å; H90-E152 PolarHBondContact NE2-OE1 3.39Å
91	E	26.2	Very low	26.6	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	79%	0.789	S	S	*	*				-170	160.2	127.9	-122.9	-172.6	161.9	0	0	112.9
92	P	26.3	Very low	26.9	Very low	102 Å²	102	149.7 Å²	149.7	66%	0.662	79%	0.793	S	S	*	*				-116.9	172.6	-90.4	38.6	-23.6	0	0	0	115.2
93	P	25.5	Very low	27.4	Very low	126 Å²	126	144.9 Å²	144.9	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-86.1	145.5	-170.5	33.8	-32.8	0	0	0	114.5
94	R	23.9	Very low	27.8	Very low	256 Å²	256	140.3 Å²	140.3	97%	0.966	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-102.2	128.2	167.9	-104	-174.1	171.6	-177.3	-1.6	111.1
95	L	22.6	Very low	28.4	Very low	165 Å²	165	138.4 Å²	138.4	86%	0.864	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-94.1	165.9	174.8	-86.6	159.5	0	0	0	112.6
96	E	25.1	Very low	28.9	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	79%	0.792	S	S	*	*			trans	104.2	135.4	158.4	-62.2	-162.6	174.7	0	0	116.9
97	L	29.1	Very low	29.3	Very low	149 Å²	149	141.5 Å²	141.5	78%	0.78	80%	0.797	S	S	*	*			cis	-159.3	144.1	15.5	-116.9	147.7	0	0	0	109.7
98	A	26	Very low	29.8	Very low	100 Å²	100	138.8 Å²	138.8	83%	0.826	80%	0.8	S	S	*	*			trans	-87.4	149.5	174.3	0	0	0	0	0	112.4
99	A	33.8	Very low	30.2	Very low	99 Å²	99	144.4 Å²	144.4	82%	0.818	81%	0.808	S	S	*	*			trans	-122.6	105.2	167.6	0	0	0	0	0	111.5
100	E	32.8	Very low	30.6	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.883	81%	0.813	S	S	*	*			trans	56.4	132.5	146.8	-51.9	-144.3	149.2	0	0	123.8
101	P	33	Very low	30.9	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	83%	0.828	S	S	*	*			trans	-104	151.5	174.3	38.7	-29.6	0	0	0	113.3
102	L	34.3	Very low	31.1	Very low	171 Å²	171	139 Å²	139	90%	0.895	83%	0.826	S	S	*	*			trans	-143	125.1	158.2	-78.8	177.9	0	0	0	114
103	S	37.2	Very low	31.4	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	83%	0.834	S	S	*	*			trans	68	101.4	142.7	72.6	0	0	0	0	122.3
104	S	33.6	Very low	31.7	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	84%	0.84	S	S	*	*				38.3	120.9	119.2	65.9	0	0	0	0	120.8
105	G	34.7	Very low	32.2	Very low	80 Å²	80	141.4 Å²	141.4	83%	0.825	84%	0.837	S	S	*	*			trans	-171.7	122	160	0	0	0	0	0	112
106	T	34.5	Very low	32.9	Very low	131 Å²	131	139 Å²	139	80%	0.804	84%	0.835	S	S	*	*			trans	-67.5	146.5	-167.7	24	0	0	0	0	118.2
107	M	32.3	Very low	33.5	Very low	165 Å²	165	139.9 Å²	139.9	81%	0.813	84%	0.839	S	S	*	*			trans	37.3	125.8	139.4	-58.7	-162.5	172.9	0	0	121
108	N	35.9	Very low	33.9	Very low	165 Å²	165	137.5 Å²	137.5	88%	0.882	83%	0.834	S	S	*	*				-168.9	143	107.8	-91.2	-16.3	0	0	0	112.3
109	E	31.8	Very low	34.7	Very low	185 Å²	185	139 Å²	139	86%	0.864	83%	0.829	S	S	*	*			trans	-77.9	169.4	-176.7	-63.5	178	116.6	0	0	113.9
110	S	37.2	Very low	35.1	Very low	129 Å²	129	142.3 Å²	142.3	90%	0.902	83%	0.825	S	S	*	*			trans	102.1	115.9	151.4	69.2	0	0	0	0	118
111	G	32.5	Very low	35.1	Very low	75 Å²	75	136.1 Å²	136.1	77%	0.773	80%	0.801	S	S	*	*			trans	155.9	76.4	171.7	0	0	0	0	0	112
112	S	30.9	Very low	35.1	Very low	120 Å²	120	135 Å²	135	84%	0.839	79%	0.793	S	S	*	*			trans	-69.1	123.9	174.6	49.2	0	0	0	0	112.1
113	T	32.9	Very low	34.8	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	79%	0.787	S	S	*	*			trans	-145.6	135.8	150.7	18.8	0	0	0	0	107.6	E115	T113-E115 PolarHBondContact O-N 3.48Å
114	E	32.4	Very low	34.4	Very low	203 Å²	203	134 Å²	134	95%	0.949	79%	0.785	S	S	*	*			trans	-63.4	113.7	-168.4	-62.3	168.8	142.5	0	0	111.5
115	E	33.1	Very low	34	Very low	196 Å²	196	133.6 Å²	133.6	92%	0.916	78%	0.782	S	S	*	*			trans	-100.1	109.8	163.5	-85.7	-176.5	118.5	0	0	108.7	T113 Q117	T113-E115 PolarHBondContact O-N 3.48Å; E115-Q117 PolarHBondContact O-N 2.94Å
116	S	37.9	Very low	33.7	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	77%	0.774	S	S	*	*			trans	-74.3	107.6	170.6	47.8	0	0	0	0	110.5
117	Q	38.1	Very low	33.3	Very low	189 Å²	189	133.4 Å²	133.4	88%	0.883	78%	0.778	S	S	*	*			trans	53.9	93.8	149	-64.8	-179.8	-11.4	0	0	117.5	E115	E115-Q117 PolarHBondContact O-N 2.94Å
118	S	37.9	Very low	33.1	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	76%	0.763	S	S	*	*			trans	-68.2	129.5	170.6	63	0	0	0	0	113.1	K120	S118-K120 PolarHBondContact O-N 3.48Å
119	D	42.7	Very low	32.8	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	76%	0.758	S	S	*	*			trans	-64.2	63.9	159.3	-75	-49.9	0	0	0	111.5
120	K	41	Very low	32.7	Very low	167 Å²	167	124.6 Å²	124.6	73%	0.726	75%	0.749	S	S	*	*			trans	-102.1	127.9	173.5	-122.3	172.2	-175.3	172.2	0	109	S118	S118-K120 PolarHBondContact O-N 3.48Å
121	P	33.6	Very low	32.5	Very low	59 Å²	59	120.8 Å²	120.8	38%	0.383	73%	0.73	S	S	.	*			trans	-57.7	146.6	176.3	24.4	-33.3	0	0	0	109.9	V123 Y154	P121-V123 PolarHBondContact O-N 3.4Å; P121-V123 VanDerWaalsContact O-N 3.08Å; P121-Y154 HydrophobicContact CB-CE1 4.32Å
122	P	32.6	Very low	32.6	Very low	94 Å²	94	124.3 Å²	124.3	61%	0.61	74%	0.739	S	S	*	*			trans	-60.6	115.7	179.2	23.2	-31.6	0	0	0	110	L124	P122-L124 PolarHBondContact O-N 3.19Å
123	V	28.9	Very low	32.9	Very low	125 Å²	125	121.8 Å²	121.8	76%	0.758	73%	0.732	S	S	*	*			trans	-86.3	101.2	172.4	-178.8	0	0	0	0	108	P121 S125	P121-V123 PolarHBondContact O-N 3.4Å; P121-V123 VanDerWaalsContact O-N 3.08Å; V123-S125 PolarHBondContact O-N 2.88Å; V123-S125 VanDerWaalsContact O-N 3.15Å
124	L	28	Very low	32.9	Very low	125 Å²	125	118.3 Å²	118.3	65%	0.654	72%	0.723	S	S	*	*			trans	-72.8	103.8	168	-72.9	173.6	0	0	0	109.2	P122 A126 L147	P122-L124 PolarHBondContact O-N 3.19Å; L124-A126 PolarHBondContact O-N 3.23Å; L124-L147 HydrophobicContact CD1-CD2 3.88Å
125	S	24.8	Very low	32.7	Very low	114 Å²	114	119.3 Å²	119.3	80%	0.797	72%	0.718	S	S	*	*			trans	-86.3	77.8	172.3	34.1	0	0	0	0	109.8	V123	V123-S125 PolarHBondContact O-N 2.88Å; V123-S125 VanDerWaalsContact O-N 3.15Å
126	A	28.5	Very low	32.5	Very low	80 Å²	80	114.9 Å²	114.9	66%	0.661	71%	0.708	S	S	*	*			trans	-93.8	120.7	169.5	0	0	0	0	0	110.1	L124 V128	L124-A126 PolarHBondContact O-N 3.23Å; A126-V128 PolarHBondContact O-N 3.47Å
127	S	26.2	Very low	32.3	Very low	127 Å²	127	113.7 Å²	113.7	89%	0.888	70%	0.696	S	S	*	*			trans	-73.2	93	178.3	-61.6	0	0	0	0	110.4
128	V	28	Very low	32.2	Very low	80 Å²	80	107.7 Å²	107.7	49%	0.485	67%	0.673	S	S	.	*			trans	-88.1	123.3	176.8	-176	0	0	0	0	109.7	A126 L130	A126-V128 PolarHBondContact O-N 3.47Å; V128-L130 PolarHBondContact O-N 3.14Å
129	P	30.3	Very low	32.4	Very low	120 Å²	120	108.3 Å²	108.3	78%	0.779	68%	0.678	S	S	*	*			trans	-66.9	124	179.2	24.3	-30.7	0	0	0	111.3	G131	P129-G131 PolarHBondContact O-N 2.77Å
130	L	29.3	Very low	32.5	Very low	131 Å²	131	105.8 Å²	105.8	69%	0.686	66%	0.664	S	S	*	*			trans	-71.5	111.2	177.8	-70.4	166.3	0	0	0	110.6	V128	V128-L130 PolarHBondContact O-N 3.14Å
131	G	34	Very low	33	Very low	48 Å²	48	102.5 Å²	102.5	50%	0.495	66%	0.66	S	S	.	*			trans	-71.5	157.9	165.1	0	0	0	0	0	112	P129 G133 G134	P129-G131 PolarHBondContact O-N 2.77Å; G131-G133 PolarHBondContact O-N 3.34Å; G131-G134 PolarHBondContact O-N 3.43Å
132	P	33.4	Very low	34.3	Very low	149 Å²	149	104.4 Å²	104.4	97%	0.968	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	103.2	178.6	25.9	-30.4	0	0	0	109.3
133	G	38	Very low	35	Very low	68 Å²	68	103.6 Å²	103.6	70%	0.701	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.3	-5.7	-174.1	0	0	0	0	0	115.6	G131 R135	G131-G133 PolarHBondContact O-N 3.34Å; G133-R135 PolarHBondContact O-N 2.53Å
134	G	32.8	Very low	35.9	Very low	62 Å²	62	100.8 Å²	100.8	64%	0.639	64%	0.637	S	S	*	*			trans	65.3	13.5	161.8	0	0	0	0	0	116.9	G131	G131-G134 PolarHBondContact O-N 3.43Å
135	R	28	Very low	37.6	Very low	223 Å²	223	101.5 Å²	101.5	84%	0.842	64%	0.635	S	S	*	*			trans	-100	115	172.5	-76.9	-171.9	-120.6	-134.3	-0.8	110.6	G133 V137	G133-R135 PolarHBondContact O-N 2.53Å; R135-V137 HydrophobicContact CB-CG2 4.44Å; R135-V137 PolarHBondContact O-N 3.46Å
136	C	28.7	Very low	39.4	Very low	104 Å²	104	101.5 Å²	101.5	70%	0.703	62%	0.622	S	S	*	*			trans	-74	110.7	165.5	-56.1	0	0	0	0	108
137	V	32.8	Very low	40.2	Very low	91 Å²	91	100.8 Å²	100.8	55%	0.552	61%	0.607	S	S	*	*			trans	-122.6	123.8	168.8	-176.2	0	0	0	0	106	R135 S139	R135-V137 HydrophobicContact CB-CG2 4.44Å; R135-V137 PolarHBondContact O-N 3.46Å; V137-S139 PolarHBondContact O-N 3.4Å; V137-S139 PolarHBondContact O-OG 2.89Å
138	P	36.8	Very low	41.7	Very low	63 Å²	63	100.4 Å²	100.4	41%	0.409	59%	0.586	S	S	.	*			trans	-52.6	114.8	167.5	-19.3	30.9	0	0	0	107	D140 V144	P138-D140 PolarHBondContact O-N 3.45Å; P138-V144 HydrophobicContact CB-CG2 3.67Å; P138-V144 HydrophobicContact CG-CG2 3.93Å
139	S	41.7	Very low	43.6	Very low	112 Å²	112	99.2 Å²	99.2	78%	0.783	59%	0.585	S	S	*	*	S	Bend	trans	-74.9	-12.5	-165.1	-61.3	0	0	0	0	112.7	V137	V137-S139 PolarHBondContact O-N 3.4Å; V137-S139 PolarHBondContact O-OG 2.89Å
140	D	45.7	Very low	44.9	Very low	80 Å²	80	98 Å²	98	43%	0.428	57%	0.571	S	S	.	*			trans	-116.2	125.6	177.3	-160.6	-33.6	0	0	0	110.9	P138 Q142 D143	P138-D140 PolarHBondContact O-N 3.45Å; D140-Q142 PolarHBondContact O-N 2.92Å; D140-Q142 VanDerWaalsContact O-N 3.14Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.26Å; D140-Q142 PolarHBondContact OD1-N 3.01Å; D140-D143 PolarHBondContact O-N 2.81Å
141	P	51.8	Low	46	Very low	97 Å²	97	98.5 Å²	98.5	63%	0.63	57%	0.565	S	S	*	*	H	α-helix	trans	-52.4	-25.7	168.9	-26.4	34.2	0	0	0	114.5	K145	P141-K145 PolarHBondContact O-N 2.94Å
142	Q	59.7	Low	47.6	Very low	99 Å²	99	100.4 Å²	100.4	46%	0.463	56%	0.561	S	S	.	*	H	α-helix	trans	-71	-42.2	178.8	-160.8	71.9	-7.6	0	0	111.9	D140 V144 K145 E146	D140-Q142 PolarHBondContact O-N 2.92Å; D140-Q142 VanDerWaalsContact O-N 3.14Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.26Å; D140-Q142 PolarHBondContact OD1-N 3.01Å; Q142-V144 VanDerWaalsContact C-N 3.25Å; Q142-V144 PolarHBondContact O-N 3.44Å; Q142-K145 WeakPolarHBondContact O-CB 2.97Å; Q142-K145 PolarHBondContact O-N 3.27Å; Q142-K145 VanDerWaalsContact O-N 3.07Å; Q142-E146 PolarHBondContact O-N 3.43Å
143	D	47.2	Very low	49.4	Very low	78 Å²	78	99.8 Å²	99.8	42%	0.417	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-38.1	177.3	-65.3	-21.5	0	0	0	111.4	D140 E146 L147	D140-D143 PolarHBondContact O-N 2.81Å; D143-E146 PolarHBondContact O-N 3.41Å; D143-L147 WeakPolarHBondContact O-CB 3.29Å; D143-L147 PolarHBondContact O-N 3.36Å
144	V	48.1	Very low	50.2	Low	66 Å²	66	99.2 Å²	99.2	40%	0.4	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-36.8	177.8	-178.1	0	0	0	0	111.7	P138 Q142 R148	P138-V144 HydrophobicContact CB-CG2 3.67Å; P138-V144 HydrophobicContact CG-CG2 3.93Å; Q142-V144 VanDerWaalsContact C-N 3.25Å; Q142-V144 PolarHBondContact O-N 3.44Å; V144-R148 WeakPolarHBondContact O-CB 3.43Å; V144-R148 PolarHBondContact O-N 3Å
145	K	64.4	Low	51.5	Low	140 Å²	140	98.3 Å²	98.3	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-68.9	-44.1	176.9	-73.6	179.2	180	179.9	0	111.5	P141 Q142 R148 A149	P141-K145 PolarHBondContact O-N 2.94Å; Q142-K145 WeakPolarHBondContact O-CB 2.97Å; Q142-K145 PolarHBondContact O-N 3.27Å; Q142-K145 VanDerWaalsContact O-N 3.07Å; K145-R148 PolarHBondContact O-N 2.85Å; K145-A149 PolarHBondContact O-N 3.16Å
146	E	61.4	Low	53.7	Low	114 Å²	114	94 Å²	94	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-43.3	177.8	-69.9	-178.8	-171.6	0	0	111.6	Q142 D143 R148 A149 L150	Q142-E146 PolarHBondContact O-N 3.43Å; D143-E146 PolarHBondContact O-N 3.41Å; E146-R148 PolarHBondContact O-N 3.33Å; E146-A149 PolarHBondContact O-N 2.98Å; E146-L150 PolarHBondContact O-N 3.43Å; E146-L150 VanDerWaalsContact O-N 3.11Å
147	L	45.1	Very low	55.7	Low	64 Å²	64	93.3 Å²	93.3	34%	0.335	48%	0.482	S	S	.	.	H	α-helix	trans	-59.4	-44.9	173.3	-89.5	157.3	0	0	0	112.4	L124 D143 A149 L150 Y151	L124-L147 HydrophobicContact CD1-CD2 3.88Å; D143-L147 WeakPolarHBondContact O-CB 3.29Å; D143-L147 PolarHBondContact O-N 3.36Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 2.89Å; L147-L150 PolarHBondContact O-N 3.32Å; L147-Y151 HydrophobicContact CD2-CE2 4.27Å; L147-Y151 WeakPolarHBondContact O-CD2 3.18Å; L147-Y151 PolarHBondContact O-N 3.17Å; L147-Y151 VanDerWaalsContact O-N 3.1Å
148	R	59.1	Low	57	Low	120 Å²	120	92.2 Å²	92.2	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-43.7	178.2	-179.1	179.3	-68.4	-120	0.3	111.6	H90 V144 K145 E146 L150 Y151 E152	H90-R148 PolarHBondContact CE1-NH1 3.26Å; H90-R148 VanDerWaalsContact CE1-NH1 3.3Å; H90-R148 PolarHBondContact ND1-NH1 3.01Å; V144-R148 WeakPolarHBondContact O-CB 3.43Å; V144-R148 PolarHBondContact O-N 3Å; K145-R148 PolarHBondContact O-N 2.85Å; E146-R148 PolarHBondContact O-N 3.33Å; R148-L150 PolarHBondContact O-N 2.8Å; R148-Y151 PolarHBondContact O-N 3.22Å; R148-E152 VanDerWaalsContact CG-OE1 3.31Å; R148-E152 WeakPolarHBondContact CG-OE1 3.4Å; R148-E152 WeakPolarHBondContact O-CG 2.95Å; R148-E152 PolarHBondContact O-N 3.11Å
149	A	67.4	Low	58.5	Low	55 Å²	55	93.7 Å²	93.7	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-61.3	-43.5	178.1	0	0	0	0	0	112.3	K145 E146 L147 Y151 E152 E153	K145-A149 PolarHBondContact O-N 3.16Å; E146-A149 PolarHBondContact O-N 2.98Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 2.89Å; A149-Y151 PolarHBondContact O-N 3.4Å; A149-E152 PolarHBondContact O-N 2.93Å; A149-E153 PolarHBondContact O-N 3.22Å
150	L	58.2	Low	60	Low	94 Å²	94	93.6 Å²	93.6	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-40.7	176.7	-73.4	169.6	0	0	0	112.7	E146 L147 R148 Y154	E146-L150 PolarHBondContact O-N 3.43Å; E146-L150 VanDerWaalsContact O-N 3.11Å; L147-L150 PolarHBondContact O-N 3.32Å; R148-L150 PolarHBondContact O-N 2.8Å; L150-Y154 PolarHBondContact O-N 2.96Å; L150-Y154 VanDerWaalsContact O-N 3.1Å
151	Y	50.8	Low	60.9	Low	141 Å²	141	94 Å²	94	55%	0.553	46%	0.458	S	S	*	.	H	α-helix	trans	-68	-35.4	176.9	-89.4	-75.7	0	0	0	112.7	L147 R148 A149 A155	L147-Y151 HydrophobicContact CD2-CE2 4.27Å; L147-Y151 WeakPolarHBondContact O-CD2 3.18Å; L147-Y151 PolarHBondContact O-N 3.17Å; L147-Y151 VanDerWaalsContact O-N 3.1Å; R148-Y151 PolarHBondContact O-N 3.22Å; A149-Y151 PolarHBondContact O-N 3.4Å; Y151-A155 WeakPolarHBondContact O-CB 3.33Å; Y151-A155 PolarHBondContact O-N 3.36Å
152	E	69.4	Low	61.3	Low	88 Å²	88	94 Å²	94	41%	0.411	45%	0.453	S	S	.	.	H	α-helix	trans	-67.2	-41.5	175.3	-76.4	169.8	-165.1	0	0	112.2	H90 R148 A149 A155 K156	H90-E152 IonicContact CD2-OE1 2.86Å; H90-E152 IonicContact CE1-OE1 3.18Å; H90-E152 PolarHBondContact CE1-OE1 2.91Å; H90-E152 IonicContact NE2-OE1 2.98Å; H90-E152 PolarHBondContact NE2-OE1 3.39Å; R148-E152 VanDerWaalsContact CG-OE1 3.31Å; R148-E152 WeakPolarHBondContact CG-OE1 3.4Å; R148-E152 WeakPolarHBondContact O-CG 2.95Å; R148-E152 PolarHBondContact O-N 3.11Å; A149-E152 PolarHBondContact O-N 2.93Å; E152-A155 PolarHBondContact O-N 3.44Å; E152-K156 PolarHBondContact O-N 2.98Å
153	E	70.7	Confident	61.6	Low	136 Å²	136	94.4 Å²	94.4	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-46.9	175.6	-169.4	175.2	-170.9	0	0	111.2	A149 A155 K156 E157	A149-E153 PolarHBondContact O-N 3.22Å; E153-A155 VanDerWaalsContact C-N 3.35Å; E153-A155 PolarHBondContact O-N 3.47Å; E153-K156 WeakPolarHBondContact O-CB 3.43Å; E153-K156 PolarHBondContact O-N 3Å; E153-K156 VanDerWaalsContact O-N 3.15Å; E153-E157 PolarHBondContact O-N 3.32Å
154	Y	54.5	Low	62.5	Low	57 Å²	57	93.4 Å²	93.4	22%	0.224	46%	0.461	C	S	.	.	H	α-helix	trans	-61.8	-39.6	176.1	-175.5	-111.3	0	0	0	112.7	P121 L150 K156 E157 L158	P121-Y154 HydrophobicContact CB-CE1 4.32Å; L150-Y154 PolarHBondContact O-N 2.96Å; L150-Y154 VanDerWaalsContact O-N 3.1Å; Y154-K156 VanDerWaalsContact C-N 3.3Å; Y154-K156 PolarHBondContact O-N 3.48Å; Y154-E157 PolarHBondContact O-N 3.15Å; Y154-L158 HydrophobicContact CD1-CD1 3.76Å; Y154-L158 HydrophobicContact CE1-CD1 3.32Å; Y154-L158 HydrophobicContact CE1-CG 4.36Å; Y154-L158 HydrophobicContact CE2-CD1 4.46Å; Y154-L158 HydrophobicContact CG-CD1 4.48Å; Y154-L158 PolarHBondContact O-N 3.42Å
155	A	60.3	Low	62.8	Low	43 Å²	43	94.2 Å²	94.2	36%	0.355	46%	0.462	S	S	.	.	H	α-helix	trans	-67.8	-28.9	176.6	0	0	0	0	0	113	Y151 E152 E153 K159	Y151-A155 WeakPolarHBondContact O-CB 3.33Å; Y151-A155 PolarHBondContact O-N 3.36Å; E152-A155 PolarHBondContact O-N 3.44Å; E153-A155 VanDerWaalsContact C-N 3.35Å; E153-A155 PolarHBondContact O-N 3.47Å; A155-K159 PolarHBondContact O-N 3.45Å
156	K	74.6	Confident	62.4	Low	132 Å²	132	92.3 Å²	92.3	57%	0.574	46%	0.462	S	S	*	.	H	α-helix	trans	-70.6	-46.8	173	-170.9	-177	176.5	-171.7	0	110.8	E152 E153 Y154 L158 K159 E160	E152-K156 PolarHBondContact O-N 2.98Å; E153-K156 WeakPolarHBondContact O-CB 3.43Å; E153-K156 PolarHBondContact O-N 3Å; E153-K156 VanDerWaalsContact O-N 3.15Å; Y154-K156 VanDerWaalsContact C-N 3.3Å; Y154-K156 PolarHBondContact O-N 3.48Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 2.95Å; K156-K159 PolarHBondContact O-N 3.42Å; K156-K159 VanDerWaalsContact O-N 3.17Å; K156-E160 VanDerWaalsContact CE-OE1 3.22Å; K156-E160 WeakPolarHBondContact CE-OE1 3.33Å; K156-E160 WeakPolarHBondContact O-CG 3.24Å; K156-E160 PolarHBondContact O-N 2.89Å
157	E	71	Confident	62.3	Low	89 Å²	89	90.8 Å²	90.8	42%	0.416	46%	0.46	S	S	.	.	H	α-helix	trans	-58.9	-41.8	177.4	-164.7	-170.1	153.8	0	0	111.8	E153 Y154 E160 K161	E153-E157 PolarHBondContact O-N 3.32Å; Y154-E157 PolarHBondContact O-N 3.15Å; E157-E160 PolarHBondContact O-N 3.19Å; E157-K161 WeakPolarHBondContact O-CG 3.37Å; E157-K161 PolarHBondContact O-N 2.98Å; E157-K161 WeakPolarHBondContact OE1-CE 3.4Å; E157-K161 IonicContact OE1-NZ 2.64Å; E157-K161 PolarHBondContact OE1-NZ 3.17Å
158	L	59.4	Low	62.6	Low	68 Å²	68	93.5 Å²	93.5	36%	0.356	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-43	175	-88.8	160.1	0	0	0	113.1	Y154 K156 K161 D162	Y154-L158 HydrophobicContact CD1-CD1 3.76Å; Y154-L158 HydrophobicContact CE1-CD1 3.32Å; Y154-L158 HydrophobicContact CE1-CG 4.36Å; Y154-L158 HydrophobicContact CE2-CD1 4.46Å; Y154-L158 HydrophobicContact CG-CD1 4.48Å; Y154-L158 PolarHBondContact O-N 3.42Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 2.95Å; L158-K161 PolarHBondContact O-N 3.04Å; L158-D162 PolarHBondContact O-N 3.35Å
159	K	67.2	Low	62.3	Low	95 Å²	95	92.6 Å²	92.6	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-66.9	-37.4	176.8	-76.7	176.6	-173.6	160.2	0	112.7	A155 K156 D162 N163	A155-K159 PolarHBondContact O-N 3.45Å; K156-K159 PolarHBondContact O-N 3.42Å; K156-K159 VanDerWaalsContact O-N 3.17Å; K159-D162 PolarHBondContact O-N 2.97Å; K159-N163 WeakPolarHBondContact O-CB 2.96Å; K159-N163 PolarHBondContact O-N 2.83Å; K159-N163 PolarHBondContact O-ND2 3.21Å
160	E	75	Confident	61.6	Low	110 Å²	110	91.6 Å²	91.6	51%	0.514	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-41.9	175.3	-72.7	175	-175.8	0	0	110.7	K156 E157 A164	K156-E160 VanDerWaalsContact CE-OE1 3.22Å; K156-E160 WeakPolarHBondContact CE-OE1 3.33Å; K156-E160 WeakPolarHBondContact O-CG 3.24Å; K156-E160 PolarHBondContact O-N 2.89Å; E157-E160 PolarHBondContact O-N 3.19Å; E160-A164 WeakPolarHBondContact O-CB 3.39Å; E160-A164 PolarHBondContact O-N 3.16Å
161	K	64.2	Low	61.3	Low	89 Å²	89	89.2 Å²	89.2	39%	0.387	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-47.2	172.6	-73.6	176.4	-176.4	167.8	0	112.4	E157 L158 N163 A164 I165	E157-K161 WeakPolarHBondContact O-CG 3.37Å; E157-K161 PolarHBondContact O-N 2.98Å; E157-K161 WeakPolarHBondContact OE1-CE 3.4Å; E157-K161 IonicContact OE1-NZ 2.64Å; E157-K161 PolarHBondContact OE1-NZ 3.17Å; L158-K161 PolarHBondContact O-N 3.04Å; K161-N163 PolarHBondContact O-N 3.35Å; K161-A164 WeakPolarHBondContact O-CB 3.47Å; K161-A164 PolarHBondContact O-N 3.18Å; K161-I165 VanDerWaalsContact O-CG1 3.32Å; K161-I165 WeakPolarHBondContact O-CG1 3.39Å; K161-I165 PolarHBondContact O-N 3.1Å
162	D	58.9	Low	61.3	Low	96 Å²	96	85.9 Å²	85.9	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-60.3	-45.5	177.3	-84	-13.6	0	0	0	111.9	L158 K159 A164 I165 V166	L158-D162 PolarHBondContact O-N 3.35Å; K159-D162 PolarHBondContact O-N 2.97Å; D162-A164 VanDerWaalsContact C-N 3.33Å; D162-A164 PolarHBondContact O-N 3.16Å; D162-I165 PolarHBondContact O-N 3.29Å; D162-V166 WeakPolarHBondContact O-CG2 3.39Å; D162-V166 PolarHBondContact O-N 3.22Å
163	N	66.5	Low	60.7	Low	107 Å²	107	87.8 Å²	87.8	57%	0.572	46%	0.456	S	S	*	.	H	α-helix	trans	-64.2	-37.1	177	-73.2	-18.7	0	0	0	112.2	K159 K161 T167	K159-N163 WeakPolarHBondContact O-CB 2.96Å; K159-N163 PolarHBondContact O-N 2.83Å; K159-N163 PolarHBondContact O-ND2 3.21Å; K161-N163 PolarHBondContact O-N 3.35Å; N163-T167 WeakPolarHBondContact O-CB 3.45Å; N163-T167 PolarHBondContact O-N 2.98Å; N163-T167 PolarHBondContact O-OG1 2.7Å
164	A	66.2	Low	59.9	Low	57 Å²	57	87.7 Å²	87.7	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-64.1	-43.4	174.6	0	0	0	0	0	111.4	E160 K161 D162 T167 Q168	E160-A164 WeakPolarHBondContact O-CB 3.39Å; E160-A164 PolarHBondContact O-N 3.16Å; K161-A164 WeakPolarHBondContact O-CB 3.47Å; K161-A164 PolarHBondContact O-N 3.18Å; D162-A164 VanDerWaalsContact C-N 3.33Å; D162-A164 PolarHBondContact O-N 3.16Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-Q168 VanDerWaalsContact O-CB 3.26Å; A164-Q168 WeakPolarHBondContact O-CB 3.12Å; A164-Q168 PolarHBondContact O-N 2.82Å
165	I	54.3	Low	59.9	Low	83 Å²	83	86.9 Å²	86.9	43%	0.426	45%	0.449	S	S	.	.	H	α-helix	trans	-64.1	-44	177	-67	164.8	0	0	0	111.2	K161 D162 Q168 N169	K161-I165 VanDerWaalsContact O-CG1 3.32Å; K161-I165 WeakPolarHBondContact O-CG1 3.39Å; K161-I165 PolarHBondContact O-N 3.1Å; D162-I165 PolarHBondContact O-N 3.29Å; I165-Q168 PolarHBondContact O-N 2.87Å; I165-N169 WeakPolarHBondContact O-CB 3.28Å; I165-N169 VanDerWaalsContact O-CG 3.32Å; I165-N169 PolarHBondContact O-N 2.98Å; I165-N169 PolarHBondContact O-ND2 3.17Å
166	V	55.8	Low	59.6	Low	100 Å²	100	89.2 Å²	89.2	61%	0.606	45%	0.452	S	S	*	.	H	α-helix	trans	-63.2	-44.6	178.4	171.5	0	0	0	0	111.3	D162 N169 G170	D162-V166 WeakPolarHBondContact O-CG2 3.39Å; D162-V166 PolarHBondContact O-N 3.22Å; V166-N169 PolarHBondContact O-N 2.79Å; V166-G170 PolarHBondContact O-N 3.02Å
167	T	59.8	Low	58.7	Low	82 Å²	82	87.3 Å²	87.3	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-48	176.2	-51.5	0	0	0	0	110.6	N163 A164 N169 G170 D171	N163-T167 WeakPolarHBondContact O-CB 3.45Å; N163-T167 PolarHBondContact O-N 2.98Å; N163-T167 PolarHBondContact O-OG1 2.7Å; A164-T167 PolarHBondContact O-N 2.86Å; T167-N169 VanDerWaalsContact C-N 3.34Å; T167-N169 PolarHBondContact O-N 3.3Å; T167-G170 PolarHBondContact O-N 2.95Å; T167-D171 VanDerWaalsContact O-CB 3.31Å; T167-D171 WeakPolarHBondContact O-CB 3.25Å; T167-D171 PolarHBondContact O-N 3.01Å
168	Q	51.9	Low	57.9	Low	121 Å²	121	88.2 Å²	88.2	57%	0.565	45%	0.445	S	S	*	.	H	α-helix	trans	-59.1	-41.2	178.3	-172.1	-179.5	2.1	0	0	112.5	A164 I165 M172	A164-Q168 VanDerWaalsContact O-CB 3.26Å; A164-Q168 WeakPolarHBondContact O-CB 3.12Å; A164-Q168 PolarHBondContact O-N 2.82Å; I165-Q168 PolarHBondContact O-N 2.87Å; Q168-M172 WeakPolarHBondContact O-CB 3.28Å; Q168-M172 PolarHBondContact O-N 3Å
169	N	51.6	Low	57.6	Low	102 Å²	102	85.3 Å²	85.3	55%	0.545	43%	0.431	S	S	.	.	H	α-helix	trans	-69.5	-39.8	176.8	-75.7	-20.3	0	0	0	112.5	I165 V166 T167 D171 M172 K173	I165-N169 WeakPolarHBondContact O-CB 3.28Å; I165-N169 VanDerWaalsContact O-CG 3.32Å; I165-N169 PolarHBondContact O-N 2.98Å; I165-N169 PolarHBondContact O-ND2 3.17Å; V166-N169 PolarHBondContact O-N 2.79Å; T167-N169 VanDerWaalsContact C-N 3.34Å; T167-N169 PolarHBondContact O-N 3.3Å; N169-D171 VanDerWaalsContact C-N 3.34Å; N169-M172 PolarHBondContact O-N 3.26Å; N169-K173 PolarHBondContact O-N 2.7Å
170	G	53.7	Low	57.2	Low	34 Å²	34	84.2 Å²	84.2	35%	0.351	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.3	0	0	0	0	0	112.1	V166 T167 K173 R174	V166-G170 PolarHBondContact O-N 3.02Å; T167-G170 PolarHBondContact O-N 2.95Å; G170-K173 PolarHBondContact O-N 3.43Å; G170-R174 WeakPolarHBondContact O-CG 3.5Å; G170-R174 PolarHBondContact O-N 3.24Å; G170-R174 VanDerWaalsContact O-N 3.11Å
171	D	52.1	Low	56.2	Low	43 Å²	43	84.2 Å²	84.2	23%	0.23	43%	0.432	C	S	.	.	H	α-helix	trans	-64.6	-42	176.3	-74	-11.8	0	0	0	112.1	T167 N169 R174 L175 M204	T167-D171 VanDerWaalsContact O-CB 3.31Å; T167-D171 WeakPolarHBondContact O-CB 3.25Å; T167-D171 PolarHBondContact O-N 3.01Å; N169-D171 VanDerWaalsContact C-N 3.34Å; D171-R174 PolarHBondContact O-N 3.35Å; D171-L175 PolarHBondContact O-N 2.98Å; D171-L175 VanDerWaalsContact O-N 3.07Å; D171-M204 HydrophobicContact CB-CE 3.22Å; D171-M204 VanDerWaalsContact OD1-CE 3.24Å; D171-M204 WeakPolarHBondContact OD1-CE 3.48Å
172	M	50	Low	55.7	Low	71 Å²	71	81.6 Å²	81.6	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-47.5	175.2	-167.3	65.6	68	0	0	111.5	Q168 N169 R174 L175 E176	Q168-M172 WeakPolarHBondContact O-CB 3.28Å; Q168-M172 PolarHBondContact O-N 3Å; N169-M172 PolarHBondContact O-N 3.26Å; M172-R174 VanDerWaalsContact C-N 3.31Å; M172-R174 PolarHBondContact O-N 3.1Å; M172-L175 WeakPolarHBondContact O-CB 3.25Å; M172-L175 PolarHBondContact O-N 2.83Å; M172-L175 VanDerWaalsContact O-N 3.1Å; M172-E176 PolarHBondContact O-N 2.89Å
173	K	56.6	Low	55.5	Low	129 Å²	129	77 Å²	77	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-39.1	179.9	-170.9	176.9	179.2	-179.6	0	112.3	N169 G170 L175 E176 E177	N169-K173 PolarHBondContact O-N 2.7Å; G170-K173 PolarHBondContact O-N 3.43Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-E176 PolarHBondContact O-N 3.25Å; K173-E177 WeakPolarHBondContact CE-OE1 3.4Å; K173-E177 WeakPolarHBondContact O-CG 3.39Å; K173-E177 PolarHBondContact O-N 3.39Å
174	R	55	Low	54.9	Low	133 Å²	133	74.8 Å²	74.8	50%	0.502	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-39.7	174.5	-74.1	175.5	175.7	-171.1	-1.3	112.1	G170 D171 M172 R178	G170-R174 WeakPolarHBondContact O-CG 3.5Å; G170-R174 PolarHBondContact O-N 3.24Å; G170-R174 VanDerWaalsContact O-N 3.11Å; D171-R174 PolarHBondContact O-N 3.35Å; M172-R174 VanDerWaalsContact C-N 3.31Å; M172-R174 PolarHBondContact O-N 3.1Å; R174-R178 PolarHBondContact O-N 2.77Å
175	L	53.8	Low	54.1	Low	41 Å²	41	74.4 Å²	74.4	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-65.5	-45	176.5	-162.9	88.6	0	0	0	111.1	D171 M172 K173 R178 A179 A211	D171-L175 PolarHBondContact O-N 2.98Å; D171-L175 VanDerWaalsContact O-N 3.07Å; M172-L175 WeakPolarHBondContact O-CB 3.25Å; M172-L175 PolarHBondContact O-N 2.83Å; M172-L175 VanDerWaalsContact O-N 3.1Å; K173-L175 VanDerWaalsContact C-N 3.35Å; L175-R178 PolarHBondContact O-N 3.01Å; L175-A179 VanDerWaalsContact O-CB 3.31Å; L175-A179 WeakPolarHBondContact O-CB 3.41Å; L175-A179 PolarHBondContact O-N 3.47Å; L175-A211 HydrophobicContact CD2-CB 4.19Å
176	E	53.7	Low	54	Low	92 Å²	92	71.5 Å²	71.5	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-59.7	-45.6	175.7	-73.6	-179.9	167.6	0	0	112	M172 K173 A179 L180	M172-E176 PolarHBondContact O-N 2.89Å; K173-E176 PolarHBondContact O-N 3.25Å; E176-A179 PolarHBondContact O-N 2.95Å; E176-L180 WeakPolarHBondContact O-CB 3.43Å; E176-L180 PolarHBondContact O-N 3.31Å
177	E	56.4	Low	53.9	Low	91 Å²	91	68 Å²	68	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-43.8	177	-74.7	175.8	-175.5	0	0	111.8	K173 L180 L181	K173-E177 WeakPolarHBondContact CE-OE1 3.4Å; K173-E177 WeakPolarHBondContact O-CG 3.39Å; K173-E177 PolarHBondContact O-N 3.39Å; E177-L180 PolarHBondContact O-N 3.5Å; E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 WeakPolarHBondContact O-CG 3.41Å; E177-L181 PolarHBondContact O-N 2.92Å
178	R	53.5	Low	53.6	Low	108 Å²	108	69.4 Å²	69.4	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-41.4	173.7	-94.2	177.5	67.9	149.1	-7.2	112.2	R174 L175 L180 L181 T182 D203	R174-R178 PolarHBondContact O-N 2.77Å; L175-R178 PolarHBondContact O-N 3.01Å; R178-L180 VanDerWaalsContact C-N 3.35Å; R178-L181 PolarHBondContact O-N 2.85Å; R178-T182 VanDerWaalsContact O-CB 3.31Å; R178-T182 WeakPolarHBondContact O-CB 3.39Å; R178-T182 PolarHBondContact O-N 3.33Å; R178-T182 PolarHBondContact O-OG1 3.11Å; R178-D203 IonicContact NH1-OD2 3.96Å; R178-D203 PolarHBondContact NH1-OD2 2.89Å
179	A	54.2	Low	53.5	Low	7 Å²	7	69.7 Å²	69.7	6%	0.058	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-44.3	177.2	0	0	0	0	0	110.9	L175 E176 T182 A183 L199 V213	L175-A179 VanDerWaalsContact O-CB 3.31Å; L175-A179 WeakPolarHBondContact O-CB 3.41Å; L175-A179 PolarHBondContact O-N 3.47Å; E176-A179 PolarHBondContact O-N 2.95Å; A179-T182 PolarHBondContact O-N 2.93Å; A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.34Å; A179-A183 PolarHBondContact O-N 2.91Å; A179-L199 HydrophobicContact CB-CD1 4.28Å; A179-V213 HydrophobicContact CB-CG1 4.37Å; A179-V213 HydrophobicContact CB-CG2 3.66Å
180	L	57.3	Low	53.4	Low	73 Å²	73	68.2 Å²	68.2	38%	0.382	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-41.8	178.7	-164.3	72.3	0	0	0	112.3	E176 E177 R178 T182 A183 N184 V231	E176-L180 WeakPolarHBondContact O-CB 3.43Å; E176-L180 PolarHBondContact O-N 3.31Å; E177-L180 PolarHBondContact O-N 3.5Å; R178-L180 VanDerWaalsContact C-N 3.35Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-A183 PolarHBondContact O-N 3.07Å; L180-N184 WeakPolarHBondContact O-CB 3.4Å; L180-N184 VanDerWaalsContact O-CG 3.28Å; L180-N184 PolarHBondContact O-N 2.95Å; L180-N184 PolarHBondContact O-ND2 3.03Å; L180-N184 VanDerWaalsContact O-ND2 3.16Å; L180-V231 HydrophobicContact CD1-CG2 4.16Å
181	L	55.2	Low	53.3	Low	109 Å²	109	72.3 Å²	72.3	57%	0.571	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-43.8	174.2	-77.3	165.9	0	0	0	111.7	E177 R178 N184 A185	E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 WeakPolarHBondContact O-CG 3.41Å; E177-L181 PolarHBondContact O-N 2.92Å; R178-L181 PolarHBondContact O-N 2.85Å; L181-N184 PolarHBondContact O-N 3.21Å; L181-A185 WeakPolarHBondContact O-CB 3.2Å; L181-A185 PolarHBondContact O-N 3.01Å
182	T	53.3	Low	53.3	Low	34 Å²	34	71 Å²	71	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-66.9	-43.8	178.7	-55.1	0	0	0	0	110.9	R178 A179 L180 N184 A185 L186 V197	R178-T182 VanDerWaalsContact O-CB 3.31Å; R178-T182 WeakPolarHBondContact O-CB 3.39Å; R178-T182 PolarHBondContact O-N 3.33Å; R178-T182 PolarHBondContact O-OG1 3.11Å; A179-T182 PolarHBondContact O-N 2.93Å; L180-T182 VanDerWaalsContact C-N 3.34Å; T182-N184 PolarHBondContact O-N 3.37Å; T182-A185 WeakPolarHBondContact O-CB 3.22Å; T182-A185 PolarHBondContact O-N 3.2Å; T182-A185 VanDerWaalsContact O-N 3.14Å; T182-L186 HydrophobicContact CG2-CD1 4.42Å; T182-L186 WeakPolarHBondContact O-CG 3.38Å; T182-L186 PolarHBondContact O-N 3.48Å; T182-V197 HydrophobicContact CG2-CB 3.93Å; T182-V197 HydrophobicContact CG2-CG1 3.64Å; T182-V197 HydrophobicContact CG2-CG2 4.07Å
183	A	54.3	Low	53.2	Low	1 Å²	1	76.1 Å²	76.1	1%	0.008	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-45.9	175.3	0	0	0	0	0	111.5	A179 L180 A185 L186 V187 V215 V241	A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.34Å; A179-A183 PolarHBondContact O-N 2.91Å; L180-A183 PolarHBondContact O-N 3.07Å; A183-A185 VanDerWaalsContact C-N 3.28Å; A183-A185 PolarHBondContact O-N 2.87Å; A183-L186 PolarHBondContact O-N 2.92Å; A183-V187 VanDerWaalsContact O-CG2 3.23Å; A183-V187 WeakPolarHBondContact O-CG2 3.38Å; A183-V187 PolarHBondContact O-N 3.39Å; A183-V215 HydrophobicContact CB-CG2 3.71Å; A183-V241 HydrophobicContact CB-CB 4.47Å; A183-V241 HydrophobicContact CB-CG1 3.97Å; A183-V241 HydrophobicContact CB-CG2 3.61Å
184	N	53.4	Low	53.1	Low	60 Å²	60	77 Å²	77	32%	0.321	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-37.7	174.6	-77.3	-33.3	0	0	0	112.6	L180 L181 T182 K188	L180-N184 WeakPolarHBondContact O-CB 3.4Å; L180-N184 VanDerWaalsContact O-CG 3.28Å; L180-N184 PolarHBondContact O-N 2.95Å; L180-N184 PolarHBondContact O-ND2 3.03Å; L180-N184 VanDerWaalsContact O-ND2 3.16Å; L181-N184 PolarHBondContact O-N 3.21Å; T182-N184 PolarHBondContact O-N 3.37Å; N184-K188 WeakPolarHBondContact O-CG 3.44Å; N184-K188 PolarHBondContact O-N 2.85Å
185	A	51	Low	53	Low	48 Å²	48	71.3 Å²	71.3	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-38.7	176.4	0	0	0	0	0	112.6	L181 T182 A183 N189	L181-A185 WeakPolarHBondContact O-CB 3.2Å; L181-A185 PolarHBondContact O-N 3.01Å; T182-A185 WeakPolarHBondContact O-CB 3.22Å; T182-A185 PolarHBondContact O-N 3.2Å; T182-A185 VanDerWaalsContact O-N 3.14Å; A183-A185 VanDerWaalsContact C-N 3.28Å; A183-A185 PolarHBondContact O-N 2.87Å; A185-N189 WeakPolarHBondContact O-CB 3.24Å; A185-N189 PolarHBondContact O-N 3.42Å; A185-N189 PolarHBondContact O-ND2 3.11Å
186	L	51.3	Low	53	Low	23 Å²	23	75.6 Å²	75.6	12%	0.12	39%	0.393	C	S	.	.	H	α-helix	trans	-65.8	-48.3	176.6	-73.4	169.1	0	0	0	111.6	T182 A183 K188 N189 V190 L192 A195 V197 V215	T182-L186 HydrophobicContact CG2-CD1 4.42Å; T182-L186 WeakPolarHBondContact O-CG 3.38Å; T182-L186 PolarHBondContact O-N 3.48Å; A183-L186 PolarHBondContact O-N 2.92Å; L186-K188 PolarHBondContact O-N 3.1Å; L186-N189 PolarHBondContact O-N 3.07Å; L186-V190 HydrophobicContact CD2-CG2 4.2Å; L186-V190 PolarHBondContact O-N 3.36Å; L186-L192 HydrophobicContact CB-CD2 4.44Å; L186-A195 HydrophobicContact CD1-CB 4.36Å; L186-A195 HydrophobicContact CD2-CB 4.26Å; L186-V197 HydrophobicContact CD1-CB 4.26Å; L186-V197 HydrophobicContact CD1-CG2 3.42Å; L186-V197 VanDerWaalsContact CD1-CG2 3.42Å; L186-V197 HydrophobicContact CD2-CG2 3.66Å; L186-V197 HydrophobicContact CG-CG2 3.91Å; L186-V215 HydrophobicContact CD1-CB 4.32Å; L186-V215 HydrophobicContact CD1-CG2 3.74Å
187	V	54.9	Low	52.9	Low	25 Å²	25	72.9 Å²	72.9	15%	0.152	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-32.2	-178.1	179.8	0	0	0	0	112.1	A183 L192 V215 L233 C239	A183-V187 VanDerWaalsContact O-CG2 3.23Å; A183-V187 WeakPolarHBondContact O-CG2 3.38Å; A183-V187 PolarHBondContact O-N 3.39Å; V187-L192 HydrophobicContact CB-CD1 4.04Å; V187-L192 HydrophobicContact CG1-CD1 4.39Å; V187-L192 HydrophobicContact CG2-CD1 3.59Å; V187-V215 HydrophobicContact CG2-CG1 3.85Å; V187-L233 HydrophobicContact CB-CD2 4.21Å; V187-L233 HydrophobicContact CG1-CD1 3.3Å; V187-L233 HydrophobicContact CG1-CD2 3.29Å; V187-L233 HydrophobicContact CG1-CG 3.89Å; V187-L233 HydrophobicContact CG2-CD2 4.44Å; V187-C239 HydrophobicContact CG2-CB 4.34Å
188	K	53.4	Low	52.5	Low	113 Å²	113	74.9 Å²	74.9	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-82.3	-22.6	179.7	-70.9	-178	173.7	-164.9	0	114.6	N184 L186 N334	N184-K188 WeakPolarHBondContact O-CG 3.44Å; N184-K188 PolarHBondContact O-N 2.85Å; L186-K188 PolarHBondContact O-N 3.1Å; K188-N334 PolarHBondContact NZ-OD1 3.34Å
189	N	49.3	Very low	52.3	Low	126 Å²	126	70.2 Å²	70.2	67%	0.674	37%	0.373	S	S	*	.	H	α-helix	trans	-120.2	-10	-168	-65.3	-50.1	0	0	0	115.3	A185 L186	A185-N189 WeakPolarHBondContact O-CB 3.24Å; A185-N189 PolarHBondContact O-N 3.42Å; A185-N189 PolarHBondContact O-ND2 3.11Å; L186-N189 PolarHBondContact O-N 3.07Å
190	V	49.1	Very low	52	Low	72 Å²	72	75 Å²	75	44%	0.436	40%	0.398	S	S	.	.	S	Bend	trans	-128.1	138.2	-172.2	-173.6	0	0	0	0	110.4	L186 L192	L186-V190 HydrophobicContact CD2-CG2 4.2Å; L186-V190 PolarHBondContact O-N 3.36Å; V190-L192 VanDerWaalsContact C-N 3.34Å; V190-L192 HydrophobicContact CB-CD2 4.21Å; V190-L192 HydrophobicContact CG1-CD2 4.3Å; V190-L192 PolarHBondContact O-N 3.27Å
191	S	51.5	Low	51.6	Low	119 Å²	119	72.6 Å²	72.6	83%	0.832	39%	0.389	S	S	*	.			trans	-67.9	94.1	166.8	56.6	0	0	0	0	108.6	E193	S191-E193 PolarHBondContact O-N 3.42Å
192	L	51.7	Low	51.1	Low	17 Å²	17	75.5 Å²	75.5	9%	0.089	40%	0.399	C	S	.	.			trans	-79.2	101	-176.4	-66.2	178.3	0	0	0	110.8	L186 V187 V190 A195 V215	L186-L192 HydrophobicContact CB-CD2 4.44Å; V187-L192 HydrophobicContact CB-CD1 4.04Å; V187-L192 HydrophobicContact CG1-CD1 4.39Å; V187-L192 HydrophobicContact CG2-CD1 3.59Å; V190-L192 VanDerWaalsContact C-N 3.34Å; V190-L192 HydrophobicContact CB-CD2 4.21Å; V190-L192 HydrophobicContact CG1-CD2 4.3Å; V190-L192 PolarHBondContact O-N 3.27Å; L192-A195 HydrophobicContact CD2-CB 3.15Å; L192-V215 HydrophobicContact CD1-CG1 3.91Å
193	E	49.3	Very low	50.5	Low	178 Å²	178	79.7 Å²	79.7	83%	0.832	42%	0.42	S	S	*	.	S	Bend	trans	-86.4	-50.4	150.4	-69.5	-173.1	174.1	0	0	108.4	S191	S191-E193 PolarHBondContact O-N 3.42Å
194	E	54.7	Low	49.6	Very low	146 Å²	146	81.6 Å²	81.6	68%	0.682	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	123.3	168.8	-62.3	178.9	159.9	0	0	107.2
195	A	51.4	Low	48.8	Very low	15 Å²	15	84.8 Å²	84.8	12%	0.124	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131	170.5	0	0	0	0	0	110.8	L186 L192 V215	L186-A195 HydrophobicContact CD1-CB 4.36Å; L186-A195 HydrophobicContact CD2-CB 4.26Å; L192-A195 HydrophobicContact CD2-CB 3.15Å; A195-V215 PolarHBondContact N-O 2.72Å; A195-V215 PolarHBondContact O-N 2.95Å
196	E	54.4	Low	48.4	Very low	131 Å²	131	86.3 Å²	86.3	61%	0.612	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.4	174.5	-64.5	179.1	169.5	0	0	108.5
197	V	50.8	Low	47.9	Very low	35 Å²	35	87.4 Å²	87.4	21%	0.212	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.5	169.9	175.2	0	0	0	0	109.6	T182 L186 L199 V213	T182-V197 HydrophobicContact CG2-CB 3.93Å; T182-V197 HydrophobicContact CG2-CG1 3.64Å; T182-V197 HydrophobicContact CG2-CG2 4.07Å; L186-V197 HydrophobicContact CD1-CB 4.26Å; L186-V197 HydrophobicContact CD1-CG2 3.42Å; L186-V197 VanDerWaalsContact CD1-CG2 3.42Å; L186-V197 HydrophobicContact CD2-CG2 3.66Å; L186-V197 HydrophobicContact CG-CG2 3.91Å; V197-L199 HydrophobicContact CG1-CD2 4.42Å; V197-V213 PolarHBondContact N-O 3.37Å; V197-V213 PolarHBondContact O-N 3.1Å
198	F	48.6	Very low	47.2	Very low	132 Å²	132	93 Å²	93	58%	0.579	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.9	172.4	-63.1	-91.8	0	0	0	108.2	T212	F198-T212 HydrophobicContact CD1-CG2 3.53Å; F198-T212 HydrophobicContact CE1-CG2 3.56Å; F198-T212 HydrophobicContact CG-CG2 4.39Å; F198-T212 HydrophobicContact CZ-CG2 4.44Å
199	L	48.3	Very low	46.8	Very low	10 Å²	10	89.8 Å²	89.8	5%	0.052	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	98.8	169.1	-66.6	178.8	0	0	0	107.7	A179 V197 A201 A211 V213	A179-L199 HydrophobicContact CB-CD1 4.28Å; V197-L199 HydrophobicContact CG1-CD2 4.42Å; L199-A201 PolarHBondContact O-N 3.25Å; L199-A211 PolarHBondContact N-O 2.94Å; L199-V213 HydrophobicContact CD1-CG2 3.52Å; L199-V213 HydrophobicContact CG-CG2 4.11Å
200	D	48.9	Very low	46.8	Very low	107 Å²	107	84.7 Å²	84.7	57%	0.572	48%	0.483	S	S	*	.			trans	-64.4	118.1	168	-81	-24.5	0	0	0	108.6	H202	D200-H202 HydrophobicContact CB-CB 4.47Å; D200-H202 PolarHBondContact O-N 3.42Å
201	A	48	Very low	46.9	Very low	24 Å²	24	81.5 Å²	81.5	20%	0.198	46%	0.464	C	S	.	.			trans	-74.2	31.1	177.2	0	0	0	0	0	112.4	L199 D203 M204	L199-A201 PolarHBondContact O-N 3.25Å; A201-D203 PolarHBondContact O-N 3.38Å; A201-M204 HydrophobicContact CB-CG 4.41Å; A201-M204 PolarHBondContact O-N 3.15Å; A201-M204 VanDerWaalsContact O-N 3.07Å
202	H	45.5	Very low	46.8	Very low	170 Å²	170	76.8 Å²	76.8	79%	0.787	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-4.5	-170.5	-122.8	-67.1	0	0	0	114.3	D200	D200-H202 HydrophobicContact CB-CB 4.47Å; D200-H202 PolarHBondContact O-N 3.42Å
203	D	40.9	Very low	47	Very low	122 Å²	122	76 Å²	76	65%	0.652	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	11.5	177.2	-62.1	-40.2	0	0	0	113.7	R178 A201 P205	R178-D203 IonicContact NH1-OD2 3.96Å; R178-D203 PolarHBondContact NH1-OD2 2.89Å; A201-D203 PolarHBondContact O-N 3.38Å; D203-P205 WeakPolarHBondContact O-CD 3.46Å
204	M	36.4	Very low	47.2	Very low	40 Å²	40	68.8 Å²	68.8	20%	0.197	40%	0.395	C	S	.	.			trans	-115.8	98.5	-175.2	-56.2	-60.8	-73.3	0	0	112	D171 A201 G206 S207	D171-M204 HydrophobicContact CB-CE 3.22Å; D171-M204 VanDerWaalsContact OD1-CE 3.24Å; D171-M204 WeakPolarHBondContact OD1-CE 3.48Å; A201-M204 HydrophobicContact CB-CG 4.41Å; A201-M204 PolarHBondContact O-N 3.15Å; A201-M204 VanDerWaalsContact O-N 3.07Å; M204-G206 PolarHBondContact O-N 3.17Å; M204-G206 VanDerWaalsContact O-N 3.14Å; M204-S207 PolarHBondContact O-N 3.47Å
205	P	35.4	Very low	47.4	Very low	127 Å²	127	61.9 Å²	61.9	83%	0.825	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	114.6	173.5	25.4	-30	0	0	0	110.1	D203	D203-P205 WeakPolarHBondContact O-CD 3.46Å
206	G	42	Very low	48.1	Very low	80 Å²	80	64.2 Å²	64.2	83%	0.825	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.2	-7.2	175	0	0	0	0	0	116.1	M204	M204-G206 PolarHBondContact O-N 3.17Å; M204-G206 VanDerWaalsContact O-N 3.14Å
207	S	42	Very low	48.5	Very low	46 Å²	46	63.6 Å²	63.6	32%	0.322	36%	0.362	S	S	.	.			trans	-94.4	106.7	173.6	-178.3	0	0	0	0	110.7	M204 T209	M204-S207 PolarHBondContact O-N 3.47Å; S207-T209 PolarHBondContact O-N 3.1Å; S207-T209 PolarHBondContact OG-OG1 3.17Å
208	V	39.8	Very low	49.1	Very low	142 Å²	142	62.9 Å²	62.9	86%	0.861	36%	0.36	S	S	*	.			trans	-78.1	1.7	175.1	-168.8	0	0	0	0	111.6
209	T	45.2	Very low	50	Low	47 Å²	47	65.4 Å²	65.4	29%	0.288	37%	0.366	S	S	.	.			trans	-106.9	97.8	-172.9	62.3	0	0	0	0	110.7	S207 R251	S207-T209 PolarHBondContact O-N 3.1Å; S207-T209 PolarHBondContact OG-OG1 3.17Å; T209-R251 PolarHBondContact OG1-NH1 3.37Å; T209-R251 PolarHBondContact OG1-NH2 3.31Å; T209-R251 VanDerWaalsContact OG1-NH2 3.15Å
210	A	49.1	Very low	50.5	Low	19 Å²	19	74.3 Å²	74.3	16%	0.157	41%	0.407	C	S	.	.			trans	-63.8	150	156.6	0	0	0	0	0	108.7	L246	A210-L246 HydrophobicContact CB-CD1 3.54Å; A210-L246 HydrophobicContact CB-CD2 4.15Å; A210-L246 HydrophobicContact CB-CG 3.76Å; A210-L246 PolarHBondContact O-N 3.28Å
211	A	50.7	Low	51.1	Low	5 Å²	5	78.8 Å²	78.8	4%	0.041	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	-179.4	0	0	0	0	0	109.8	L175 L199 Q244	L175-A211 HydrophobicContact CD2-CB 4.19Å; L199-A211 PolarHBondContact N-O 2.94Å; A211-Q244 CarbonylContact C-O 3.55Å; A211-Q244 VanDerWaalsContact CA-O 3.25Å; A211-Q244 WeakPolarHBondContact CA-O 3.27Å; A211-Q244 WeakPolarHBondContact CB-O 3.19Å
212	T	49.7	Very low	52.2	Low	19 Å²	19	80.8 Å²	80.8	12%	0.117	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.7	169	52.7	0	0	0	0	108.5	F198 A243 Q244 L246	F198-T212 HydrophobicContact CD1-CG2 3.53Å; F198-T212 HydrophobicContact CE1-CG2 3.56Å; F198-T212 HydrophobicContact CG-CG2 4.39Å; F198-T212 HydrophobicContact CZ-CG2 4.44Å; T212-A243 WeakPolarHBondContact O-CA 3.32Å; T212-Q244 PolarHBondContact N-O 3.45Å; T212-Q244 PolarHBondContact O-N 3.05Å; T212-L246 HydrophobicContact CG2-CD2 4.32Å
213	V	55.1	Low	53.4	Low	1 Å²	1	79.8 Å²	79.8	1%	0.006	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.1	171.3	179.9	0	0	0	0	106.8	A179 V197 L199 V215 V241	A179-V213 HydrophobicContact CB-CG1 4.37Å; A179-V213 HydrophobicContact CB-CG2 3.66Å; V197-V213 PolarHBondContact N-O 3.37Å; V197-V213 PolarHBondContact O-N 3.1Å; L199-V213 HydrophobicContact CD1-CG2 3.52Å; L199-V213 HydrophobicContact CG-CG2 4.11Å; V213-V215 HydrophobicContact CG1-CG2 4.31Å; V213-V241 HydrophobicContact CG1-CG1 3.59Å
214	S	55.1	Low	54.6	Low	27 Å²	27	76 Å²	76	19%	0.189	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.9	173.5	57.6	0	0	0	0	109.3	V241 V242	S214-V241 WeakPolarHBondContact O-CA 3.28Å; S214-V242 PolarHBondContact N-O 3.4Å; S214-V242 PolarHBondContact O-N 3.18Å; S214-V242 PolarHBondContact OG-O 3.06Å
215	V	58.8	Low	56.2	Low	1 Å²	1	77.1 Å²	77.1	1%	0.006	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.9	176.3	-173.6	0	0	0	0	108.3	A183 L186 V187 L192 A195 V213 C239 F240 V241	A183-V215 HydrophobicContact CB-CG2 3.71Å; L186-V215 HydrophobicContact CD1-CB 4.32Å; L186-V215 HydrophobicContact CD1-CG2 3.74Å; V187-V215 HydrophobicContact CG2-CG1 3.85Å; L192-V215 HydrophobicContact CD1-CG1 3.91Å; A195-V215 PolarHBondContact N-O 2.72Å; A195-V215 PolarHBondContact O-N 2.95Å; V213-V215 HydrophobicContact CG1-CG2 4.31Å; V215-C239 HydrophobicContact CG1-CB 4.33Å; V215-F240 WeakPolarHBondContact CA-O 3.38Å; V215-V241 HydrophobicContact CG1-CG2 4.3Å; V215-V241 HydrophobicContact CG2-CG1 4.38Å; V215-V241 HydrophobicContact CG2-CG2 4.18Å
216	K	64.4	Low	57.6	Low	64 Å²	64	80.6 Å²	80.6	28%	0.278	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.3	179.7	-170.6	-174.8	179.4	-164.4	0	109.8	E222 C239 F240	K216-E222 IonicContact NZ-OE1 3.1Å; K216-E222 PolarHBondContact NZ-OE1 2.93Å; K216-E222 IonicContact NZ-OE2 2.71Å; K216-C239 CarbonylContact O-C 3.56Å; K216-C239 WeakPolarHBondContact O-CA 3.48Å; K216-F240 PolarHBondContact N-O 2.74Å; K216-F240 PolarHBondContact O-N 2.75Å
217	R	63	Low	58.6	Low	118 Å²	118	79.2 Å²	79.2	45%	0.445	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.4	171	-156.8	-177.3	-150.1	175.3	6.6	109	R219 E237	R217-R219 PolarHBondContact O-N 3.41Å; R217-E237 VanDerWaalsContact CZ-CD 3.48Å; R217-E237 IonicContact CZ-OE1 3.15Å; R217-E237 IonicContact CZ-OE2 3.9Å; R217-E237 IonicContact NE-OE1 3.76Å; R217-E237 PolarHBondContact NE-OE1 3.37Å; R217-E237 IonicContact NE-OE2 3.46Å; R217-E237 PolarHBondContact NE-OE2 2.73Å; R217-E237 IonicContact NH1-OE1 3.07Å; R217-E237 IonicContact NH2-OE1 2.64Å; R217-E237 PolarHBondContact NH2-OE1 2.73Å; R217-E237 IonicContact NH2-OE2 2.74Å; R217-E237 PolarHBondContact NH2-OE2 3.18Å
218	A	64.4	Low	59.6	Low	20 Å²	20	77.7 Å²	77.7	17%	0.165	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-65.7	128.7	175.6	0	0	0	0	0	109.5	N238 F240	A218-N238 HydrophobicContact CB-CB 3.78Å; A218-N238 WeakPolarHBondContact CB-O 3.39Å; A218-N238 PolarHBondContact N-O 2.88Å; A218-F240 HydrophobicContact CB-CD2 3.99Å; A218-F240 HydrophobicContact CB-CE1 4.13Å; A218-F240 HydrophobicContact CB-CE2 3.32Å; A218-F240 HydrophobicContact CB-CZ 3.4Å
219	R	67.2	Low	60.5	Low	185 Å²	185	74.5 Å²	74.5	70%	0.698	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-73.4	151.2	167.1	-63.5	179.8	178.9	174.5	2	108.9	R217 E221 E222	R217-R219 PolarHBondContact O-N 3.41Å; R219-E221 PolarHBondContact O-N 2.86Å; R219-E222 HydrophobicContact CB-CB 4.28Å; R219-E222 WeakPolarHBondContact CB-OE2 3.35Å; R219-E222 PolarHBondContact N-OE2 2.89Å; R219-E222 WeakPolarHBondContact O-CB 3.42Å; R219-E222 PolarHBondContact O-N 3.27Å
220	Q	58	Low	61.4	Low	197 Å²	197	75.1 Å²	75.1	92%	0.921	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	127.1	172.8	-77.3	-178.5	-13.3	0	0	108.9
221	E	62.5	Low	61.6	Low	200 Å²	200	75.1 Å²	75.1	94%	0.935	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	8.2	-176.3	-50.6	-179.6	170.1	0	0	117.2	R219	R219-E221 PolarHBondContact O-N 2.86Å
222	E	70.2	Confident	62.1	Low	66 Å²	66	81.3 Å²	81.3	31%	0.308	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-79.4	125.2	173.5	-164.6	172.2	-176.2	0	0	111	K216 R219 F240	K216-E222 IonicContact NZ-OE1 3.1Å; K216-E222 PolarHBondContact NZ-OE1 2.93Å; K216-E222 IonicContact NZ-OE2 2.71Å; R219-E222 HydrophobicContact CB-CB 4.28Å; R219-E222 WeakPolarHBondContact CB-OE2 3.35Å; R219-E222 PolarHBondContact N-OE2 2.89Å; R219-E222 WeakPolarHBondContact O-CB 3.42Å; R219-E222 PolarHBondContact O-N 3.27Å; E222-F240 HydrophobicContact CB-CE2 4.19Å; E222-F240 HydrophobicContact CG-CE2 3.97Å; E222-F240 WeakPolarHBondContact O-CZ 3.28Å
223	N	71.1	Confident	62.3	Low	149 Å²	149	82.1 Å²	82.1	80%	0.797	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-75.6	140.4	172.1	-75.6	-29.8	0	0	0	110.1
224	A	66.1	Low	61.8	Low	43 Å²	43	90.2 Å²	90.2	36%	0.355	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-60.2	135.6	173.4	0	0	0	0	0	110.4	V230 F240	A224-V230 HydrophobicContact CB-CG2 3.45Å; A224-V230 VanDerWaalsContact CB-CG2 3.45Å; A224-F240 VanDerWaalsContact CA-CE1 3.41Å; A224-F240 HydrophobicContact CB-CD1 3.73Å; A224-F240 HydrophobicContact CB-CE1 3.41Å; A224-F240 VanDerWaalsContact CB-CE1 3.41Å; A224-F240 HydrophobicContact CB-CZ 4.19Å
225	P	69.8	Low	61.8	Low	64 Å²	64	92.7 Å²	92.7	42%	0.416	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-53.7	144.7	163	-17.5	25.9	0	0	0	110.1	E227 A228 V242	P225-E227 PolarHBondContact O-N 3.43Å; P225-A228 HydrophobicContact CB-CB 3.9Å; P225-A228 HydrophobicContact CG-CB 3.82Å; P225-A228 WeakPolarHBondContact O-CB 3.48Å; P225-A228 PolarHBondContact O-N 2.8Å; P225-V242 HydrophobicContact CG-CG2 4.44Å
226	E	65.5	Low	61.9	Low	200 Å²	200	95.9 Å²	95.9	94%	0.935	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.5	178.9	-70.5	-173.7	162.3	0	0	112.7
227	E	62.3	Low	61.9	Low	51 Å²	51	96 Å²	96	24%	0.238	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.4	-178.3	-53.5	-172	-139	0	0	113.1	P225 P250 R251 A252 I253	P225-E227 PolarHBondContact O-N 3.43Å; E227-P250 HydrophobicContact CB-CB 4.48Å; E227-P250 VanDerWaalsContact CD-CB 3.45Å; E227-P250 VanDerWaalsContact OE1-CG 3.26Å; E227-P250 WeakPolarHBondContact OE1-CG 3.37Å; E227-P250 VanDerWaalsContact OE2-CA 3.29Å; E227-P250 WeakPolarHBondContact OE2-CA 3.41Å; E227-P250 WeakPolarHBondContact OE2-CB 3.31Å; E227-P250 WeakPolarHBondContact OE2-CG 3.43Å; E227-P250 VanDerWaalsContact OE2-O 3.1Å; E227-R251 PolarHBondContact OE2-N 3.05Å; E227-A252 PolarHBondContact OE2-N 3.44Å; E227-A252 VanDerWaalsContact OE2-N 3.1Å; E227-I253 WeakPolarHBondContact O-CD1 3.4Å
228	A	64.4	Low	62	Low	14 Å²	14	93.3 Å²	93.3	12%	0.116	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.3	179.8	0	0	0	0	0	112.2	P225 V230 F240 V241 V242	P225-A228 HydrophobicContact CB-CB 3.9Å; P225-A228 HydrophobicContact CG-CB 3.82Å; P225-A228 WeakPolarHBondContact O-CB 3.48Å; P225-A228 PolarHBondContact O-N 2.8Å; A228-V230 PolarHBondContact O-N 3.47Å; A228-F240 HydrophobicContact CB-CB 4.01Å; A228-V241 CarbonylContact C-O 3.49Å; A228-V241 WeakPolarHBondContact CA-O 3.33Å; A228-V242 HydrophobicContact CB-CG2 3.71Å
229	L	58.8	Low	61.7	Low	74 Å²	74	92.4 Å²	92.4	39%	0.387	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.4	161	-78	155.4	0	0	0	109	V241 I253	L229-V241 HydrophobicContact CB-CB 4.11Å; L229-V241 PolarHBondContact N-O 2.87Å; L229-V241 PolarHBondContact O-N 2.89Å; L229-I253 HydrophobicContact CG-CD1 4.27Å
230	V	64	Low	61.6	Low	61 Å²	61	84 Å²	84	37%	0.37	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.4	176.3	-173.6	0	0	0	0	109.2	A224 A228 N238 C239 F240	A224-V230 HydrophobicContact CB-CG2 3.45Å; A224-V230 VanDerWaalsContact CB-CG2 3.45Å; A228-V230 PolarHBondContact O-N 3.47Å; V230-N238 HydrophobicContact CG1-CB 4.31Å; V230-C239 CarbonylContact C-O 3.54Å; V230-C239 WeakPolarHBondContact CA-O 3.34Å; V230-F240 HydrophobicContact CG1-CE1 4.38Å; V230-F240 HydrophobicContact CG2-CD1 4.06Å; V230-F240 HydrophobicContact CG2-CE1 4.11Å
231	V	53.4	Low	61.5	Low	19 Å²	19	74.8 Å²	74.8	12%	0.115	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.4	175.6	-178.3	0	0	0	0	108.6	L180 L233 C239 V241	L180-V231 HydrophobicContact CD1-CG2 4.16Å; V231-L233 HydrophobicContact CG1-CD2 4.14Å; V231-C239 HydrophobicContact CB-CB 4.33Å; V231-C239 PolarHBondContact N-O 3.47Å; V231-C239 PolarHBondContact O-N 2.94Å; V231-V241 HydrophobicContact CG2-CG2 3.69Å
232	H	61	Low	61.3	Low	134 Å²	134	66.2 Å²	66.2	62%	0.62	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.5	174.5	-63.1	-65.9	0	0	0	109.7	N238	H232-N238 PolarHBondContact CE1-OD1 2.81Å; H232-N238 PolarHBondContact ND1-OD1 3.25Å
233	L	53	Low	60.5	Low	36 Å²	36	64.9 Å²	64.9	19%	0.188	37%	0.374	C	S	.	.			trans	-89.4	153.1	177.8	-53.6	-178	0	0	0	111.2	V187 V231 S235 G236 E237	V187-L233 HydrophobicContact CB-CD2 4.21Å; V187-L233 HydrophobicContact CG1-CD1 3.3Å; V187-L233 HydrophobicContact CG1-CD2 3.29Å; V187-L233 HydrophobicContact CG1-CG 3.89Å; V187-L233 HydrophobicContact CG2-CD2 4.44Å; V231-L233 HydrophobicContact CG1-CD2 4.14Å; L233-S235 WeakPolarHBondContact CB-OG 3.39Å; L233-S235 PolarHBondContact O-N 3.47Å; L233-S235 VanDerWaalsContact O-N 3.08Å; L233-G236 PolarHBondContact O-N 3.33Å; L233-E237 WeakPolarHBondContact CB-O 3.3Å; L233-E237 HydrophobicContact CD1-CB 4.22Å; L233-E237 WeakPolarHBondContact CG-O 3.35Å; L233-E237 PolarHBondContact N-O 2.92Å
234	D	44.3	Very low	59.7	Low	171 Å²	171	60.5 Å²	60.5	91%	0.914	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.6	173.5	-57.2	-33.6	0	0	0	112.3	G236	D234-G236 PolarHBondContact O-N 3.1Å
235	S	55.1	Low	58.9	Low	79 Å²	79	59.9 Å²	59.9	55%	0.552	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-6.5	172.2	59.1	0	0	0	0	114.1	L233 E237	L233-S235 WeakPolarHBondContact CB-OG 3.39Å; L233-S235 PolarHBondContact O-N 3.47Å; L233-S235 VanDerWaalsContact O-N 3.08Å; S235-E237 VanDerWaalsContact C-N 3.25Å; S235-E237 PolarHBondContact OG-OE2 2.91Å
236	G	62.3	Low	57.8	Low	68 Å²	68	62.5 Å²	62.5	70%	0.701	35%	0.349	S	S	*	.	S	Bend	trans	80.1	4.2	-172.7	0	0	0	0	0	114	L233 D234	L233-G236 PolarHBondContact O-N 3.33Å; D234-G236 PolarHBondContact O-N 3.1Å
237	E	62.8	Low	57.1	Low	67 Å²	67	56.8 Å²	56.8	31%	0.313	33%	0.331	S	S	.	.			trans	-89.8	150.5	175.7	-62.3	171.2	154.8	0	0	110.6	R217 L233 S235	R217-E237 VanDerWaalsContact CZ-CD 3.48Å; R217-E237 IonicContact CZ-OE1 3.15Å; R217-E237 IonicContact CZ-OE2 3.9Å; R217-E237 IonicContact NE-OE1 3.76Å; R217-E237 PolarHBondContact NE-OE1 3.37Å; R217-E237 IonicContact NE-OE2 3.46Å; R217-E237 PolarHBondContact NE-OE2 2.73Å; R217-E237 IonicContact NH1-OE1 3.07Å; R217-E237 IonicContact NH2-OE1 2.64Å; R217-E237 PolarHBondContact NH2-OE1 2.73Å; R217-E237 IonicContact NH2-OE2 2.74Å; R217-E237 PolarHBondContact NH2-OE2 3.18Å; L233-E237 WeakPolarHBondContact CB-O 3.3Å; L233-E237 HydrophobicContact CD1-CB 4.22Å; L233-E237 WeakPolarHBondContact CG-O 3.35Å; L233-E237 PolarHBondContact N-O 2.92Å; S235-E237 VanDerWaalsContact C-N 3.25Å; S235-E237 PolarHBondContact OG-OE2 2.91Å
238	N	65.9	Low	56.4	Low	62 Å²	62	56.5 Å²	56.5	33%	0.332	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.6	174.9	-59.5	-18.7	0	0	0	109.2	A218 V230 H232	A218-N238 HydrophobicContact CB-CB 3.78Å; A218-N238 WeakPolarHBondContact CB-O 3.39Å; A218-N238 PolarHBondContact N-O 2.88Å; V230-N238 HydrophobicContact CG1-CB 4.31Å; H232-N238 PolarHBondContact CE1-OD1 2.81Å; H232-N238 PolarHBondContact ND1-OD1 3.25Å
239	C	59	Low	55.4	Low	1 Å²	1	62.2 Å²	62.2	1%	0.007	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.3	168.1	-75.2	0	0	0	0	109.3	V187 V215 K216 V230 V231	V187-C239 HydrophobicContact CG2-CB 4.34Å; V215-C239 HydrophobicContact CG1-CB 4.33Å; K216-C239 CarbonylContact O-C 3.56Å; K216-C239 WeakPolarHBondContact O-CA 3.48Å; V230-C239 CarbonylContact C-O 3.54Å; V230-C239 WeakPolarHBondContact CA-O 3.34Å; V231-C239 HydrophobicContact CB-CB 4.33Å; V231-C239 PolarHBondContact N-O 3.47Å; V231-C239 PolarHBondContact O-N 2.94Å
240	F	63.8	Low	54.7	Low	8 Å²	8	61.5 Å²	61.5	4%	0.035	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.8	171.1	-56.1	-48.7	0	0	0	108.4	V215 K216 A218 E222 A224 A228 V230	V215-F240 WeakPolarHBondContact CA-O 3.38Å; K216-F240 PolarHBondContact N-O 2.74Å; K216-F240 PolarHBondContact O-N 2.75Å; A218-F240 HydrophobicContact CB-CD2 3.99Å; A218-F240 HydrophobicContact CB-CE1 4.13Å; A218-F240 HydrophobicContact CB-CE2 3.32Å; A218-F240 HydrophobicContact CB-CZ 3.4Å; E222-F240 HydrophobicContact CB-CE2 4.19Å; E222-F240 HydrophobicContact CG-CE2 3.97Å; E222-F240 WeakPolarHBondContact O-CZ 3.28Å; A224-F240 VanDerWaalsContact CA-CE1 3.41Å; A224-F240 HydrophobicContact CB-CD1 3.73Å; A224-F240 HydrophobicContact CB-CE1 3.41Å; A224-F240 VanDerWaalsContact CB-CE1 3.41Å; A224-F240 HydrophobicContact CB-CZ 4.19Å; A228-F240 HydrophobicContact CB-CB 4.01Å; V230-F240 HydrophobicContact CG1-CE1 4.38Å; V230-F240 HydrophobicContact CG2-CD1 4.06Å; V230-F240 HydrophobicContact CG2-CE1 4.11Å
241	V	55.6	Low	53.7	Low	3 Å²	3	62.7 Å²	62.7	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.3	176	-177.9	0	0	0	0	107.4	A183 V213 S214 V215 A228 L229 V231	A183-V241 HydrophobicContact CB-CB 4.47Å; A183-V241 HydrophobicContact CB-CG1 3.97Å; A183-V241 HydrophobicContact CB-CG2 3.61Å; V213-V241 HydrophobicContact CG1-CG1 3.59Å; S214-V241 WeakPolarHBondContact O-CA 3.28Å; V215-V241 HydrophobicContact CG1-CG2 4.3Å; V215-V241 HydrophobicContact CG2-CG1 4.38Å; V215-V241 HydrophobicContact CG2-CG2 4.18Å; A228-V241 CarbonylContact C-O 3.49Å; A228-V241 WeakPolarHBondContact CA-O 3.33Å; L229-V241 HydrophobicContact CB-CB 4.11Å; L229-V241 PolarHBondContact N-O 2.87Å; L229-V241 PolarHBondContact O-N 2.89Å; V231-V241 HydrophobicContact CG2-CG2 3.69Å
242	V	59.6	Low	53	Low	20 Å²	20	64.8 Å²	64.8	12%	0.121	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.6	178.4	-176.4	0	0	0	0	108.5	S214 P225 A228 Q244	S214-V242 PolarHBondContact N-O 3.4Å; S214-V242 PolarHBondContact O-N 3.18Å; S214-V242 PolarHBondContact OG-O 3.06Å; P225-V242 HydrophobicContact CG-CG2 4.44Å; A228-V242 HydrophobicContact CB-CG2 3.71Å; V242-Q244 HydrophobicContact CG1-CG 3.97Å
243	A	52.8	Low	51.8	Low	39 Å²	39	61.8 Å²	61.8	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.2	170.4	0	0	0	0	0	109.1	T212	T212-A243 WeakPolarHBondContact O-CA 3.32Å
244	Q	53.5	Low	50.8	Low	57 Å²	57	68.5 Å²	68.5	27%	0.266	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.4	175.2	-60.4	179.9	-20.9	0	0	108.8	A211 T212 V242	A211-Q244 CarbonylContact C-O 3.55Å; A211-Q244 VanDerWaalsContact CA-O 3.25Å; A211-Q244 WeakPolarHBondContact CA-O 3.27Å; A211-Q244 WeakPolarHBondContact CB-O 3.19Å; T212-Q244 PolarHBondContact N-O 3.45Å; T212-Q244 PolarHBondContact O-N 3.05Å; V242-Q244 HydrophobicContact CG1-CG 3.97Å
245	D	49.7	Very low	50	Low	29 Å²	29	65.1 Å²	65.1	16%	0.155	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	168.8	163.9	65.3	25.7	0	0	0	110.4	S247 G248 Q249 R251	D245-S247 PolarHBondContact O-N 2.95Å; D245-S247 WeakPolarHBondContact OD1-CA 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.35Å; D245-S247 PolarHBondContact OD1-N 3.44Å; D245-S247 PolarHBondContact OD1-OG 2.9Å; D245-S247 PolarHBondContact OD2-OG 3.38Å; D245-G248 PolarHBondContact O-N 3.46Å; D245-G248 PolarHBondContact OD1-N 3.19Å; D245-Q249 PolarHBondContact N-O 3.5Å; D245-Q249 PolarHBondContact OD1-N 3.46Å; D245-R251 HydrophobicContact CB-CG 4.48Å
246	L	47.5	Very low	48.7	Very low	119 Å²	119	64.3 Å²	64.3	62%	0.623	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-9.4	176.8	-69.8	179.9	0	0	0	114.4	A210 T212	A210-L246 HydrophobicContact CB-CD1 3.54Å; A210-L246 HydrophobicContact CB-CD2 4.15Å; A210-L246 HydrophobicContact CB-CG 3.76Å; A210-L246 PolarHBondContact O-N 3.28Å; T212-L246 HydrophobicContact CG2-CD2 4.32Å
247	S	51.4	Low	46.9	Very low	80 Å²	80	66.9 Å²	66.9	56%	0.559	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.9	174.8	84.2	0	0	0	0	112.7	D245 Q249	D245-S247 PolarHBondContact O-N 2.95Å; D245-S247 WeakPolarHBondContact OD1-CA 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.35Å; D245-S247 PolarHBondContact OD1-N 3.44Å; D245-S247 PolarHBondContact OD1-OG 2.9Å; D245-S247 PolarHBondContact OD2-OG 3.38Å; S247-Q249 PolarHBondContact O-N 3.26Å; S247-Q249 WeakPolarHBondContact OG-CB 3.13Å; S247-Q249 WeakPolarHBondContact OG-CG 3.37Å; S247-Q249 PolarHBondContact OG-N 3.4Å
248	G	45.9	Very low	45.3	Very low	45 Å²	45	68.6 Å²	68.6	46%	0.464	41%	0.412	S	S	.	.	S	Bend	trans	72.1	8.5	-174.9	0	0	0	0	0	112.7	D245	D245-G248 PolarHBondContact O-N 3.46Å; D245-G248 PolarHBondContact OD1-N 3.19Å
249	Q	44.5	Very low	43.5	Very low	134 Å²	134	73.5 Å²	73.5	63%	0.626	44%	0.439	S	S	*	.			trans	-81.5	127.3	170.6	-69.7	-166	-23.7	0	0	108.5	D245 S247 R251	D245-Q249 PolarHBondContact N-O 3.5Å; D245-Q249 PolarHBondContact OD1-N 3.46Å; S247-Q249 PolarHBondContact O-N 3.26Å; S247-Q249 WeakPolarHBondContact OG-CB 3.13Å; S247-Q249 WeakPolarHBondContact OG-CG 3.37Å; S247-Q249 PolarHBondContact OG-N 3.4Å; Q249-R251 PolarHBondContact O-N 2.85Å
250	P	43.4	Very low	42.1	Very low	60 Å²	60	79.7 Å²	79.7	39%	0.39	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-66.3	131.8	174.3	38.4	-40.1	0	0	0	106.5	E227 A252	E227-P250 HydrophobicContact CB-CB 4.48Å; E227-P250 VanDerWaalsContact CD-CB 3.45Å; E227-P250 VanDerWaalsContact OE1-CG 3.26Å; E227-P250 WeakPolarHBondContact OE1-CG 3.37Å; E227-P250 VanDerWaalsContact OE2-CA 3.29Å; E227-P250 WeakPolarHBondContact OE2-CA 3.41Å; E227-P250 WeakPolarHBondContact OE2-CB 3.31Å; E227-P250 WeakPolarHBondContact OE2-CG 3.43Å; E227-P250 VanDerWaalsContact OE2-O 3.1Å; P250-A252 PolarHBondContact O-N 2.84Å
251	R	43.8	Very low	40.6	Very low	86 Å²	86	83.7 Å²	83.7	33%	0.325	51%	0.505	S	S	.	.			trans	-83.7	106.8	179.5	-91.3	-173.8	159.4	179.8	-2.5	106.8	T209 E227 D245 Q249 I253	T209-R251 PolarHBondContact OG1-NH1 3.37Å; T209-R251 PolarHBondContact OG1-NH2 3.31Å; T209-R251 VanDerWaalsContact OG1-NH2 3.15Å; E227-R251 PolarHBondContact OE2-N 3.05Å; D245-R251 HydrophobicContact CB-CG 4.48Å; Q249-R251 PolarHBondContact O-N 2.85Å; R251-I253 PolarHBondContact O-N 2.8Å
252	A	38.1	Very low	39.2	Very low	63 Å²	63	93.1 Å²	93.1	52%	0.521	55%	0.545	S	S	.	.			trans	-47.9	106.4	173.3	0	0	0	0	0	109.2	E227 P250 H254	E227-A252 PolarHBondContact OE2-N 3.44Å; E227-A252 VanDerWaalsContact OE2-N 3.1Å; P250-A252 PolarHBondContact O-N 2.84Å; A252-H254 PolarHBondContact O-N 3.26Å
253	I	35.6	Very low	37.9	Very low	71 Å²	71	97.5 Å²	97.5	36%	0.364	57%	0.574	S	S	.	*			trans	-65.4	107	167.2	-57.3	174.4	0	0	0	103.2	E227 L229 R251 S255	E227-I253 WeakPolarHBondContact O-CD1 3.4Å; L229-I253 HydrophobicContact CG-CD1 4.27Å; R251-I253 PolarHBondContact O-N 2.8Å; I253-S255 PolarHBondContact O-N 2.89Å
254	H	31.8	Very low	37	Very low	177 Å²	177	104.5 Å²	104.5	82%	0.819	60%	0.6	S	S	*	*			trans	-60.9	91.8	170.7	-77.1	-71.7	0	0	0	107.4	A252 G256	A252-H254 PolarHBondContact O-N 3.26Å; H254-G256 PolarHBondContact O-N 2.9Å
255	S	29.1	Very low	35.9	Very low	99 Å²	99	111.2 Å²	111.2	69%	0.692	63%	0.632	S	S	*	*			trans	-64.3	84.1	155.2	50	0	0	0	0	105.6	I253 T257	I253-S255 PolarHBondContact O-N 2.89Å; S255-T257 PolarHBondContact O-N 3.4Å; S255-T257 PolarHBondContact O-OG1 2.83Å
256	G	26.5	Very low	35	Very low	62 Å²	62	118.8 Å²	118.8	64%	0.639	67%	0.666	S	S	*	*			trans	-62.8	78	171	0	0	0	0	0	108.9	H254 T258	H254-G256 PolarHBondContact O-N 2.9Å; G256-T258 PolarHBondContact O-N 3.28Å
257	T	26	Very low	34.1	Very low	123 Å²	123	123 Å²	123	76%	0.755	68%	0.68	S	S	*	*			trans	-77.5	72.1	163	-33.2	0	0	0	0	105.2	S255 D259	S255-T257 PolarHBondContact O-N 3.4Å; S255-T257 PolarHBondContact O-OG1 2.83Å; T257-D259 PolarHBondContact O-N 3.03Å
258	T	28.9	Very low	33.2	Very low	102 Å²	102	127.7 Å²	127.7	63%	0.626	69%	0.693	S	S	*	*			trans	-79.8	109.1	168.8	45.9	0	0	0	0	107.2	G256 I260	G256-T258 PolarHBondContact O-N 3.28Å; T258-I260 PolarHBondContact O-N 3.34Å
259	D	27	Very low	32.4	Very low	166 Å²	166	129 Å²	129	89%	0.888	69%	0.693	S	S	*	*			trans	-54.7	90.4	157.3	-82.8	-45	0	0	0	108.4	T257 A261	T257-D259 PolarHBondContact O-N 3.03Å; D259-A261 PolarHBondContact O-N 2.98Å; D259-A261 VanDerWaalsContact O-N 3.16Å
260	I	30.3	Very low	31.5	Very low	131 Å²	131	132 Å²	132	67%	0.672	71%	0.707	S	S	*	*			trans	-79.9	98.8	172.4	-63.4	174.4	0	0	0	106.9	T258 K262	T258-I260 PolarHBondContact O-N 3.34Å; I260-K262 PolarHBondContact O-N 2.92Å
261	A	32.1	Very low	31.2	Very low	91 Å²	91	135.9 Å²	135.9	75%	0.752	71%	0.714	S	S	*	*			trans	-52.2	129	158.6	0	0	0	0	0	109.4	D259	D259-A261 PolarHBondContact O-N 2.98Å; D259-A261 VanDerWaalsContact O-N 3.16Å
262	K	25.8	Very low	30.4	Very low	201 Å²	201	141 Å²	141	87%	0.874	74%	0.742	S	S	*	*			trans	-31.9	123.2	-178.7	-78.2	175.7	171.4	179.7	0	114.6	I260	I260-K262 PolarHBondContact O-N 2.92Å
263	P	33.3	Very low	30.4	Very low	112 Å²	112	145.8 Å²	145.8	73%	0.727	76%	0.758	S	S	*	*			trans	-77.5	136.4	153	-0.2	19.2	0	0	0	109.1
264	E	32.7	Very low	30	Very low	186 Å²	186	150.9 Å²	150.9	87%	0.869	78%	0.782	S	S	*	*			trans	-60.8	148.7	178.5	-66.8	177.8	139.9	0	0	112.4	E266	E264-E266 PolarHBondContact O-N 2.83Å
265	E	30.7	Very low	29.9	Very low	199 Å²	199	150.4 Å²	150.4	93%	0.93	79%	0.786	S	S	*	*			trans	-60.5	94.4	-177.1	-73.3	173.5	140.2	0	0	113
266	E	31	Very low	30.2	Very low	187 Å²	187	151.8 Å²	151.8	87%	0.874	79%	0.79	S	S	*	*			trans	-94.4	113	156.8	-71.9	-167.3	161.2	0	0	109.4	E264 E268	E264-E266 PolarHBondContact O-N 2.83Å; E266-E268 PolarHBondContact O-N 2.91Å; E266-E268 VanDerWaalsContact O-N 3.1Å
267	K	28.9	Very low	30.3	Very low	209 Å²	209	152.1 Å²	152.1	91%	0.909	79%	0.792	S	S	*	*			trans	-56	110.6	-177.1	-76.3	175.7	175.5	173.6	0	112.1
268	E	32	Very low	30.5	Very low	178 Å²	178	155.9 Å²	155.9	83%	0.832	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-60.5	140.4	164	-71.8	-171.2	140.6	0	0	110.6	E266 E270	E266-E268 PolarHBondContact O-N 2.91Å; E266-E268 VanDerWaalsContact O-N 3.1Å; E268-E270 PolarHBondContact O-N 2.81Å
269	P	28.5	Very low	30.5	Very low	73 Å²	73	162 Å²	162	47%	0.474	81%	0.81	S	S	.	*	P	Polyproline II helix	trans	-69.8	123.1	174.4	27.8	-29.8	0	0	0	109.7	W271	P269-W271 HydrophobicContact CG-CZ2 4.23Å; P269-W271 PolarHBondContact O-NE1 3.12Å
270	E	26.6	Very low	30.5	Very low	195 Å²	195	161.1 Å²	161.1	91%	0.911	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.6	131.9	174.2	-86	179.5	136.8	0	0	111.5	E268	E268-E270 PolarHBondContact O-N 2.81Å
271	W	35.8	Very low	30.7	Very low	142 Å²	142	163.1 Å²	163.1	54%	0.538	81%	0.812	S	S	.	*			trans	-122.4	117.9	166.4	-46.9	84.2	0	0	0	108.1	P269 L273	P269-W271 HydrophobicContact CG-CZ2 4.23Å; P269-W271 PolarHBondContact O-NE1 3.12Å; W271-L273 PolarHBondContact O-N 2.86Å
272	E	28.5	Very low	30.6	Very low	194 Å²	194	165 Å²	165	91%	0.907	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.9	174.9	-72.9	-176.8	156.3	0	0	110.5
273	L	36.5	Very low	30.7	Very low	164 Å²	164	161.7 Å²	161.7	86%	0.859	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80	127	172.3	-143.4	91.1	0	0	0	108.8	W271	W271-L273 PolarHBondContact O-N 2.86Å
274	M	28.5	Very low	30.7	Very low	177 Å²	177	163 Å²	163	87%	0.872	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.2	125.6	172.8	-65.7	-168.6	-165.7	0	0	110.7
275	D	29.5	Very low	30.6	Very low	168 Å²	168	162.7 Å²	162.7	90%	0.898	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68.4	121.8	176.1	-97.7	-43.1	0	0	0	112.1
276	V	34.1	Very low	30.5	Very low	128 Å²	128	159.2 Å²	159.2	78%	0.776	80%	0.802	S	S	*	*			trans	-120.5	105.9	170.2	-175.1	0	0	0	0	109.2
277	G	29.8	Very low	30.6	Very low	68 Å²	68	158 Å²	158	70%	0.701	80%	0.802	S	S	*	*			trans	-90.7	135.9	-172.8	0	0	0	0	0	116
278	K	29.6	Very low	30.6	Very low	202 Å²	202	159.8 Å²	159.8	88%	0.878	80%	0.803	S	S	*	*			trans	51.1	112.8	140.2	-59.7	179.8	-178.4	177	0	120
279	R	29.4	Very low	30.8	Very low	231 Å²	231	157.5 Å²	157.5	87%	0.872	80%	0.801	S	S	*	*				178.7	138.5	110.5	-97.6	166.4	-175.4	151.9	1.9	113.4
280	N	27.8	Very low	31.4	Very low	148 Å²	148	163.3 Å²	163.3	79%	0.791	82%	0.822	S	S	*	*			trans	-91.5	152.8	166.5	-63.5	-19.1	0	0	0	109.5
281	E	34	Very low	32.3	Very low	173 Å²	173	157.5 Å²	157.5	81%	0.808	82%	0.815	S	S	*	*				148	146.5	104.2	-89.3	173.1	-165.8	0	0	105.3
282	T	29.6	Very low	33.2	Very low	129 Å²	129	151.8 Å²	151.8	79%	0.791	80%	0.8	S	S	*	*			cis	-167	144.2	11	29.5	0	0	0	0	106.9
283	L	28.4	Very low	35.1	Very low	133 Å²	133	148.6 Å²	148.6	70%	0.696	79%	0.785	S	S	*	*			trans	-107.9	140.8	173.6	-96.6	151.1	0	0	0	110.4	K341	L283-K341 HydrophobicContact CD1-CB 4.25Å; L283-K341 HydrophobicContact CD1-CD 3.56Å
284	T	32.2	Very low	36.9	Very low	138 Å²	138	142.5 Å²	142.5	85%	0.847	75%	0.752	S	S	*	*			trans	-110.9	136.2	168.5	50.4	0	0	0	0	111.3
285	E	30.8	Very low	39.3	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	72%	0.72	S	S	*	*			trans	-48	146.3	175.9	-67.9	165.2	105.3	0	0	114.3
286	T	28.9	Very low	41.7	Very low	125 Å²	125	128.3 Å²	128.3	77%	0.767	68%	0.677	S	S	*	*				176.2	112.6	117.3	28.8	0	0	0	0	109
287	D	33.7	Very low	43.5	Very low	163 Å²	163	123 Å²	123	87%	0.872	65%	0.645	S	S	*	*			trans	-168.5	118.7	132.6	-96.6	-25.8	0	0	0	111.7
288	R	28.5	Very low	45.7	Very low	245 Å²	245	121.3 Å²	121.3	93%	0.925	62%	0.62	S	S	*	*			trans	-76.6	114.5	173.8	-75.4	172.3	157.8	94.8	-0.5	108.4
289	V	37	Very low	48	Very low	131 Å²	131	112.2 Å²	112.2	79%	0.794	58%	0.581	S	S	*	*			trans	-136.5	128.6	160.4	-175.1	0	0	0	0	109	G291	V289-G291 PolarHBondContact O-N 2.89Å
290	Q	40.5	Very low	50.2	Low	194 Å²	194	102 Å²	102	91%	0.907	54%	0.544	S	S	*	.			trans	-59.3	126.7	174.2	-70.2	144.8	-52.9	0	0	110.5
291	G	44.5	Very low	52.7	Low	74 Å²	74	100.1 Å²	100.1	76%	0.763	53%	0.528	S	S	*	.			trans	123.5	124.4	156.4	0	0	0	0	0	116.4	V289	V289-G291 PolarHBondContact O-N 2.89Å
292	G	55.6	Low	54.8	Low	22 Å²	22	95.7 Å²	95.7	23%	0.227	51%	0.51	C	S	.	.			trans	152.5	103.3	175.4	0	0	0	0	0	108.3	H294 F303 S332	G292-H294 VanDerWaalsContact C-N 3.33Å; G292-F303 CarbonylContact C-O 3.55Å; G292-F303 VanDerWaalsContact CA-O 3.24Å; G292-F303 WeakPolarHBondContact CA-O 3.48Å; G292-S332 WeakPolarHBondContact O-CB 3.38Å; G292-S332 PolarHBondContact O-OG 3.22Å; G292-S332 VanDerWaalsContact O-OG 3.09Å
293	E	68.7	Low	57.3	Low	126 Å²	126	91 Å²	91	59%	0.589	48%	0.478	S	S	*	.	S	Bend	trans	-79.9	-22.7	177.2	-68.4	-171.9	160.7	0	0	111.5	F303 P331 S332	E293-F303 PolarHBondContact N-O 3.11Å; E293-P331 CarbonylContact O-C 3.57Å; E293-P331 WeakPolarHBondContact O-CA 3.23Å; E293-S332 PolarHBondContact O-N 3Å
294	H	74	Confident	59.6	Low	36 Å²	36	88.9 Å²	88.9	17%	0.167	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.4	-173.9	-63.3	-85.6	0	0	0	111.8	G292 F303 Y306 A309 V329 I330 S332	G292-H294 VanDerWaalsContact C-N 3.33Å; H294-F303 PolarHBondContact N-O 3.49Å; H294-F303 VanDerWaalsContact N-O 3.08Å; H294-F303 WeakPolarHBondContact O-CA 3.47Å; H294-F303 WeakPolarHBondContact O-CB 3.43Å; H294-F303 PolarHBondContact O-N 2.78Å; H294-Y306 PolarHBondContact CD2-N 2.85Å; H294-Y306 PolarHBondContact NE2-N 2.77Å; H294-A309 HydrophobicContact CB-CB 4.11Å; H294-V329 HydrophobicContact CB-CG1 3.83Å; H294-I330 CarbonylContact C-O 3.59Å; H294-I330 WeakPolarHBondContact CA-O 3.33Å; H294-S332 PolarHBondContact N-OG 3.3Å
295	K	79.4	Confident	61.6	Low	47 Å²	47	85.4 Å²	85.4	20%	0.204	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.2	-173.9	-174.9	165.6	-125.6	146.2	0	110.5	F300 K301 D302 V329 I330	K295-F300 HydrophobicContact CD-CB 4.39Å; K295-F300 HydrophobicContact CD-CD1 3.84Å; K295-F300 WeakPolarHBondContact CE-O 3.25Å; K295-F300 HydrophobicContact CG-CB 4.4Å; K295-F300 HydrophobicContact CG-CD1 3.99Å; K295-K301 WeakPolarHBondContact CA-O 3.37Å; K295-D302 WeakPolarHBondContact CE-OD1 3.41Å; K295-D302 IonicContact NZ-OD1 3.08Å; K295-D302 PolarHBondContact NZ-OD1 2.83Å; K295-D302 VanDerWaalsContact NZ-OD1 3.08Å; K295-D302 IonicContact NZ-OD2 3.15Å; K295-D302 PolarHBondContact NZ-OD2 3.18Å; K295-D302 VanDerWaalsContact NZ-OD2 3.15Å; K295-V329 WeakPolarHBondContact O-CA 3.47Å; K295-I330 HydrophobicContact CB-CG1 4.34Å; K295-I330 PolarHBondContact N-O 3.25Å; K295-I330 PolarHBondContact O-N 2.94Å
296	C	80.2	Confident	63.7	Low	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.1	171.4	174	0	0	0	0	110.5	I298 C299 F300 K301 F303 H312 V313 H317 L328	C296-I298 VanDerWaalsContact C-N 3.29Å; C296-I298 PolarHBondContact O-N 3.14Å; C296-I298 PolarHBondContact SG-N 2.9Å; C296-I298 VanDerWaalsContact SG-N 3.35Å; C296-C299 PolarHBondContact SG-N 3.43Å; C296-C299 VanDerWaalsContact SG-N 3.45Å; C296-F300 WeakPolarHBondContact O-CA 3.35Å; C296-F300 WeakPolarHBondContact O-CD1 3.43Å; C296-F300 PolarHBondContact O-N 3.04Å; C296-K301 PolarHBondContact N-O 2.74Å; C296-K301 VanDerWaalsContact N-O 3.11Å; C296-F303 HydrophobicContact CB-CE2 3.98Å; C296-H312 WeakPolarHBondContact CB-NE2 3.48Å; C296-H312 PolarHBondContact SG-NE2 2.82Å; C296-V313 HydrophobicContact CB-CG2 4.29Å; C296-H317 VanDerWaalsContact SG-CD2 3.59Å; C296-H317 PolarHBondContact SG-NE2 3.1Å; C296-H317 VanDerWaalsContact SG-NE2 3.36Å; C296-L328 CarbonylContact C-O 3.5Å; C296-L328 WeakPolarHBondContact CA-O 3.27Å
297	T	71.4	Confident	65.9	Low	17 Å²	17	82 Å²	82	10%	0.104	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.6	178.5	65.5	0	0	0	0	113.9	L328 I330 S350	T297-L328 PolarHBondContact N-O 3.44Å; T297-L328 VanDerWaalsContact OG1-CA 3.26Å; T297-L328 WeakPolarHBondContact OG1-CA 3.48Å; T297-L328 WeakPolarHBondContact OG1-CD2 3.4Å; T297-L328 PolarHBondContact OG1-O 3.36Å; T297-I330 HydrophobicContact CG2-CB 4.27Å; T297-I330 HydrophobicContact CG2-CD1 3.84Å; T297-I330 HydrophobicContact CG2-CG1 3.73Å; T297-I330 HydrophobicContact CG2-CG2 3.7Å; T297-S350 VanDerWaalsContact O-CB 3.31Å; T297-S350 WeakPolarHBondContact O-CB 3.49Å; T297-S350 PolarHBondContact O-OG 3.09Å
298	I	74.7	Confident	68.1	Low	32 Å²	32	75.1 Å²	75.1	16%	0.164	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-35.8	178.9	-58.2	173.9	0	0	0	112.3	C296 V313 H317 I319 L328 T348 F349	C296-I298 VanDerWaalsContact C-N 3.29Å; C296-I298 PolarHBondContact O-N 3.14Å; C296-I298 PolarHBondContact SG-N 2.9Å; C296-I298 VanDerWaalsContact SG-N 3.35Å; I298-V313 HydrophobicContact CD1-CG1 4.19Å; I298-H317 WeakPolarHBondContact CB-NE2 3.39Å; I298-H317 HydrophobicContact CD1-CB 3.74Å; I298-H317 VanDerWaalsContact CG2-CE1 3.44Å; I298-H317 WeakPolarHBondContact CG2-CE1 3.31Å; I298-I319 HydrophobicContact CD1-CD1 3.31Å; I298-L328 HydrophobicContact CD1-CD1 3.85Å; I298-L328 HydrophobicContact CD1-CD2 3.9Å; I298-L328 HydrophobicContact CD1-CG 4.31Å; I298-L328 HydrophobicContact CG1-CD2 3.81Å; I298-T348 CarbonylContact C-O 3.57Å; I298-T348 CarbonylContact O-C 3.56Å; I298-F349 HydrophobicContact CG2-CE1 4.29Å
299	C	79.6	Confident	70.6	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.074	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	5.6	179.7	80.9	0	0	0	0	114.8	C296 K301 H312 T348	C296-C299 PolarHBondContact SG-N 3.43Å; C296-C299 VanDerWaalsContact SG-N 3.45Å; C299-K301 PolarHBondContact O-N 2.81Å; C299-K301 VanDerWaalsContact SG-CG 3.6Å; C299-H312 PolarHBondContact SG-CE1 3.44Å; C299-H312 PolarHBondContact SG-NE2 2.9Å; C299-T348 WeakPolarHBondContact CA-O 3.49Å; C299-T348 PolarHBondContact N-O 3.35Å; C299-T348 PolarHBondContact O-OG1 3.48Å
300	F	75.4	Confident	72.7	Confident	18 Å²	18	57.6 Å²	57.6	8%	0.079	31%	0.309	C	S	.	.			trans	52.9	17.9	174.3	-63.6	-69.2	0	0	0	117	K295 C296 D302 F337 I339 T348 S350	K295-F300 HydrophobicContact CD-CB 4.39Å; K295-F300 HydrophobicContact CD-CD1 3.84Å; K295-F300 WeakPolarHBondContact CE-O 3.25Å; K295-F300 HydrophobicContact CG-CB 4.4Å; K295-F300 HydrophobicContact CG-CD1 3.99Å; C296-F300 WeakPolarHBondContact O-CA 3.35Å; C296-F300 WeakPolarHBondContact O-CD1 3.43Å; C296-F300 PolarHBondContact O-N 3.04Å; F300-D302 PolarHBondContact O-N 3.48Å; F300-F337 HydrophobicContact CE1-CD2 4.3Å; F300-F337 HydrophobicContact CZ-CB 4.32Å; F300-I339 HydrophobicContact CD2-CB 4.49Å; F300-I339 HydrophobicContact CD2-CD1 4.2Å; F300-I339 HydrophobicContact CD2-CG1 4.04Å; F300-I339 HydrophobicContact CD2-CG2 3.79Å; F300-I339 HydrophobicContact CE2-CB 4.21Å; F300-I339 HydrophobicContact CE2-CD1 4.33Å; F300-I339 HydrophobicContact CE2-CG1 3.72Å; F300-I339 HydrophobicContact CE2-CG2 3.88Å; F300-I339 HydrophobicContact CG-CD1 4.24Å; F300-I339 HydrophobicContact CZ-CG1 3.97Å; F300-T348 VanDerWaalsContact CD2-O 3.24Å; F300-T348 WeakPolarHBondContact CD2-O 3.29Å; F300-S350 VanDerWaalsContact CE2-N 3.33Å; F300-S350 VanDerWaalsContact CZ-CB 3.4Å
301	K	79.8	Confident	74.7	Confident	108 Å²	108	55.7 Å²	55.7	47%	0.47	29%	0.294	S	S	.	.			trans	-61.7	132.7	166.1	-72.8	178.9	-171.4	175.8	0	108.8	K295 C296 C299 F303 D316	K295-K301 WeakPolarHBondContact CA-O 3.37Å; C296-K301 PolarHBondContact N-O 2.74Å; C296-K301 VanDerWaalsContact N-O 3.11Å; C299-K301 PolarHBondContact O-N 2.81Å; C299-K301 VanDerWaalsContact SG-CG 3.6Å; K301-F303 HydrophobicContact CB-CD2 4.41Å; K301-F303 HydrophobicContact CB-CE2 3.49Å; K301-F303 VanDerWaalsContact CB-CE2 3.49Å; K301-F303 HydrophobicContact CB-CZ 3.64Å; K301-F303 HydrophobicContact CD-CZ 4.2Å; K301-F303 WeakPolarHBondContact O-CD2 3.37Å; K301-F303 WeakPolarHBondContact O-CE2 3.47Å; K301-D316 IonicContact NZ-OD2 2.74Å; K301-D316 PolarHBondContact NZ-OD2 3.33Å; K301-D316 VanDerWaalsContact NZ-OD2 3.1Å
302	D	78.9	Confident	76.6	Confident	79 Å²	79	52.6 Å²	52.6	42%	0.422	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.8	173.1	-70.2	-65.3	0	0	0	109.6	K295 F300 S332	K295-D302 WeakPolarHBondContact CE-OD1 3.41Å; K295-D302 IonicContact NZ-OD1 3.08Å; K295-D302 PolarHBondContact NZ-OD1 2.83Å; K295-D302 VanDerWaalsContact NZ-OD1 3.08Å; K295-D302 IonicContact NZ-OD2 3.15Å; K295-D302 PolarHBondContact NZ-OD2 3.18Å; K295-D302 VanDerWaalsContact NZ-OD2 3.15Å; F300-D302 PolarHBondContact O-N 3.48Å; D302-S332 PolarHBondContact OD1-OG 2.95Å
303	F	81.4	Confident	77.7	Confident	30 Å²	30	51.5 Å²	51.5	13%	0.132	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.3	-175.2	-68.7	-81.6	0	0	0	109.9	G292 E293 H294 C296 K301 T305 S308 A309 H312	G292-F303 CarbonylContact C-O 3.55Å; G292-F303 VanDerWaalsContact CA-O 3.24Å; G292-F303 WeakPolarHBondContact CA-O 3.48Å; E293-F303 PolarHBondContact N-O 3.11Å; H294-F303 PolarHBondContact N-O 3.49Å; H294-F303 VanDerWaalsContact N-O 3.08Å; H294-F303 WeakPolarHBondContact O-CA 3.47Å; H294-F303 WeakPolarHBondContact O-CB 3.43Å; H294-F303 PolarHBondContact O-N 2.78Å; C296-F303 HydrophobicContact CB-CE2 3.98Å; K301-F303 HydrophobicContact CB-CD2 4.41Å; K301-F303 HydrophobicContact CB-CE2 3.49Å; K301-F303 VanDerWaalsContact CB-CE2 3.49Å; K301-F303 HydrophobicContact CB-CZ 3.64Å; K301-F303 HydrophobicContact CD-CZ 4.2Å; K301-F303 WeakPolarHBondContact O-CD2 3.37Å; K301-F303 WeakPolarHBondContact O-CE2 3.47Å; F303-T305 VanDerWaalsContact C-N 3.25Å; F303-T305 PolarHBondContact O-N 3.1Å; F303-S308 WeakPolarHBondContact CD1-O 3.48Å; F303-A309 HydrophobicContact CB-CB 3.76Å; F303-A309 HydrophobicContact CD2-CB 3.52Å; F303-A309 HydrophobicContact CE2-CB 4.34Å; F303-A309 VanDerWaalsContact CG-CA 3.49Å; F303-A309 HydrophobicContact CG-CB 3.71Å; F303-H312 HydrophobicContact CD1-CB 4.43Å; F303-H312 HydrophobicContact CE1-CB 3.5Å; F303-H312 AromaticContact CE1-CG 3.84Å; F303-H312 HydrophobicContact CE2-CB 3.96Å; F303-H312 AromaticContact CE2-CD2 3.39Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.32Å; F303-H312 AromaticContact CE2-CG 3.64Å; F303-H312 HydrophobicContact CZ-CB 3.25Å; F303-H312 AromaticContact CZ-CD2 3.34Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.37Å; F303-H312 AromaticContact CZ-CG 3.05Å; F303-H312 AromaticContact CZ-ND1 3.61Å
304	P	76.4	Confident	78.4	Confident	90 Å²	90	51 Å²	51	58%	0.584	24%	0.244	S	C	*	.	S	Bend	trans	-66.6	-27.6	-178	26.1	-34	0	0	0	112.8	S308	P304-S308 WeakPolarHBondContact CD-OG 3.16Å
305	T	74.8	Confident	78.8	Confident	65 Å²	65	55.1 Å²	55.1	40%	0.399	26%	0.264	S	S	.	.	S	Bend	trans	-138.9	155.4	-178.2	65.9	0	0	0	0	111.6	F303 F307 S308 A309	F303-T305 VanDerWaalsContact C-N 3.25Å; F303-T305 PolarHBondContact O-N 3.1Å; T305-F307 VanDerWaalsContact C-N 3.26Å; T305-F307 PolarHBondContact O-N 3.2Å; T305-S308 PolarHBondContact N-OG 2.81Å; T305-S308 VanDerWaalsContact N-OG 3.09Å; T305-S308 PolarHBondContact O-N 3.07Å; T305-S308 VanDerWaalsContact O-N 3.17Å; T305-S308 PolarHBondContact O-OG 3.04Å; T305-S308 PolarHBondContact OG1-N 3.23Å; T305-S308 PolarHBondContact OG1-OG 3.03Å; T305-A309 PolarHBondContact O-N 3.48Å; T305-A309 VanDerWaalsContact O-N 3.13Å
306	Y	75.3	Confident	78.9	Confident	64 Å²	64	56.1 Å²	56.1	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-53.4	-44.2	174	173.2	-96.1	0	0	0	111.5	H294 S308 A309 G310 L326 V329	H294-Y306 PolarHBondContact CD2-N 2.85Å; H294-Y306 PolarHBondContact NE2-N 2.77Å; Y306-S308 PolarHBondContact O-N 2.99Å; Y306-A309 WeakPolarHBondContact O-CB 3.47Å; Y306-A309 PolarHBondContact O-N 2.76Å; Y306-G310 PolarHBondContact O-N 3.08Å; Y306-L326 HydrophobicContact CE1-CD2 4.27Å; Y306-L326 HydrophobicContact CE2-CD2 3.99Å; Y306-L326 VanDerWaalsContact CZ-CD2 3.48Å; Y306-L326 WeakPolarHBondContact OH-CA 3.46Å; Y306-L326 WeakPolarHBondContact OH-CD2 3.15Å; Y306-L326 WeakPolarHBondContact OH-CG 2.93Å; Y306-V329 HydrophobicContact CD2-CB 4.05Å; Y306-V329 HydrophobicContact CD2-CG1 3.5Å; Y306-V329 HydrophobicContact CE2-CB 3.77Å; Y306-V329 HydrophobicContact CE2-CG1 3.79Å; Y306-V329 HydrophobicContact CE2-CG2 4.48Å; Y306-V329 HydrophobicContact CG-CG1 4.46Å
307	F	74.8	Confident	78.9	Confident	169 Å²	169	57.6 Å²	57.6	74%	0.741	28%	0.278	S	S	*	.	H	α-helix	trans	-60.7	-44.1	178	-68.7	-80.6	0	0	0	112.9	T305 A309 G310 R311	T305-F307 VanDerWaalsContact C-N 3.26Å; T305-F307 PolarHBondContact O-N 3.2Å; F307-A309 VanDerWaalsContact C-N 3.3Å; F307-A309 PolarHBondContact O-N 3.32Å; F307-G310 PolarHBondContact O-N 2.71Å; F307-R311 WeakPolarHBondContact O-CB 3.33Å; F307-R311 PolarHBondContact O-N 3.32Å
308	S	80.4	Confident	79.2	Confident	19 Å²	19	64.7 Å²	64.7	13%	0.133	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-34.5	177.3	51.5	0	0	0	0	112.7	F303 P304 T305 Y306 H312	F303-S308 WeakPolarHBondContact CD1-O 3.48Å; P304-S308 WeakPolarHBondContact CD-OG 3.16Å; T305-S308 PolarHBondContact N-OG 2.81Å; T305-S308 VanDerWaalsContact N-OG 3.09Å; T305-S308 PolarHBondContact O-N 3.07Å; T305-S308 VanDerWaalsContact O-N 3.17Å; T305-S308 PolarHBondContact O-OG 3.04Å; T305-S308 PolarHBondContact OG1-N 3.23Å; T305-S308 PolarHBondContact OG1-OG 3.03Å; Y306-S308 PolarHBondContact O-N 2.99Å; S308-H312 WeakPolarHBondContact O-CB 3.49Å; S308-H312 PolarHBondContact O-N 2.82Å; S308-H312 VanDerWaalsContact O-N 3.16Å
309	A	80.9	Confident	79.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-44.8	172.9	0	0	0	0	0	111.7	H294 F303 T305 Y306 F307 R311 H312 V313 V329	H294-A309 HydrophobicContact CB-CB 4.11Å; F303-A309 HydrophobicContact CB-CB 3.76Å; F303-A309 HydrophobicContact CD2-CB 3.52Å; F303-A309 HydrophobicContact CE2-CB 4.34Å; F303-A309 VanDerWaalsContact CG-CA 3.49Å; F303-A309 HydrophobicContact CG-CB 3.71Å; T305-A309 PolarHBondContact O-N 3.48Å; T305-A309 VanDerWaalsContact O-N 3.13Å; Y306-A309 WeakPolarHBondContact O-CB 3.47Å; Y306-A309 PolarHBondContact O-N 2.76Å; F307-A309 VanDerWaalsContact C-N 3.3Å; F307-A309 PolarHBondContact O-N 3.32Å; A309-R311 PolarHBondContact O-N 2.98Å; A309-H312 WeakPolarHBondContact O-CB 3.37Å; A309-H312 PolarHBondContact O-N 3.07Å; A309-V313 WeakPolarHBondContact O-CG2 3.47Å; A309-V313 PolarHBondContact O-N 3.47Å; A309-V329 HydrophobicContact CB-CB 4.22Å; A309-V329 HydrophobicContact CB-CG1 3.44Å; A309-V329 VanDerWaalsContact CB-CG1 3.44Å; A309-V329 HydrophobicContact CB-CG2 3.67Å
310	G	80	Confident	78.5	Confident	8 Å²	8	69.3 Å²	69.3	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-43.7	178.2	0	0	0	0	0	112.4	Y306 F307 H312 V313 K314 L325	Y306-G310 PolarHBondContact O-N 3.08Å; F307-G310 PolarHBondContact O-N 2.71Å; G310-H312 VanDerWaalsContact C-N 3.33Å; G310-H312 PolarHBondContact O-N 3.06Å; G310-V313 PolarHBondContact O-N 3.36Å; G310-K314 PolarHBondContact O-N 3.09Å; G310-L325 WeakPolarHBondContact O-CD2 3.32Å
311	R	82.3	Confident	78.4	Confident	154 Å²	154	71.4 Å²	71.4	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-59.3	-44.6	173	-177.6	178.5	62.3	156.3	0.7	111.6	F307 A309 V313 K314 E315	F307-R311 WeakPolarHBondContact O-CB 3.33Å; F307-R311 PolarHBondContact O-N 3.32Å; A309-R311 PolarHBondContact O-N 2.98Å; R311-V313 VanDerWaalsContact C-N 3.34Å; R311-V313 PolarHBondContact O-N 3.34Å; R311-K314 WeakPolarHBondContact O-CB 3.38Å; R311-K314 PolarHBondContact O-N 3.26Å; R311-E315 WeakPolarHBondContact CD-OE1 3.22Å; R311-E315 VanDerWaalsContact CG-CD 3.46Å; R311-E315 HydrophobicContact CG-CG 4.21Å; R311-E315 WeakPolarHBondContact CG-OE1 3.47Å; R311-E315 WeakPolarHBondContact O-CB 3.47Å; R311-E315 WeakPolarHBondContact O-CG 3.31Å; R311-E315 PolarHBondContact O-N 3.17Å
312	H	85.7	Confident	77.6	Confident	9 Å²	9	73.6 Å²	73.6	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-43	175.2	155.2	77.7	0	0	0	112.2	C296 C299 F303 S308 A309 G310 K314 E315 D316 H317	C296-H312 WeakPolarHBondContact CB-NE2 3.48Å; C296-H312 PolarHBondContact SG-NE2 2.82Å; C299-H312 PolarHBondContact SG-CE1 3.44Å; C299-H312 PolarHBondContact SG-NE2 2.9Å; F303-H312 HydrophobicContact CD1-CB 4.43Å; F303-H312 HydrophobicContact CE1-CB 3.5Å; F303-H312 AromaticContact CE1-CG 3.84Å; F303-H312 HydrophobicContact CE2-CB 3.96Å; F303-H312 AromaticContact CE2-CD2 3.39Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.32Å; F303-H312 AromaticContact CE2-CG 3.64Å; F303-H312 HydrophobicContact CZ-CB 3.25Å; F303-H312 AromaticContact CZ-CD2 3.34Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.37Å; F303-H312 AromaticContact CZ-CG 3.05Å; F303-H312 AromaticContact CZ-ND1 3.61Å; S308-H312 WeakPolarHBondContact O-CB 3.49Å; S308-H312 PolarHBondContact O-N 2.82Å; S308-H312 VanDerWaalsContact O-N 3.16Å; A309-H312 WeakPolarHBondContact O-CB 3.37Å; A309-H312 PolarHBondContact O-N 3.07Å; G310-H312 VanDerWaalsContact C-N 3.33Å; G310-H312 PolarHBondContact O-N 3.06Å; H312-K314 VanDerWaalsContact C-N 3.28Å; H312-K314 PolarHBondContact O-N 3.46Å; H312-E315 PolarHBondContact O-N 3.29Å; H312-D316 IonicContact CE1-OD2 2.75Å; H312-D316 PolarHBondContact CE1-OD2 3.03Å; H312-D316 IonicContact ND1-OD2 3.1Å; H312-D316 PolarHBondContact ND1-OD2 3.41Å; H312-D316 WeakPolarHBondContact O-CB 3.35Å; H312-D316 PolarHBondContact O-N 3.16Å; H312-H317 AromaticContact CE1-NE2 3.58Å; H312-H317 AromaticContact NE2-CD2 3.68Å; H312-H317 AromaticContact NE2-NE2 3.17Å; H312-H317 PolarHBondContact NE2-NE2 3.14Å; H312-H317 VanDerWaalsContact NE2-NE2 3.17Å
313	V	78.7	Confident	76.5	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-37.2	176.8	178.7	0	0	0	0	110.9	C296 I298 A309 G310 R311 H317 M318 I319 L325 L328 V329	C296-V313 HydrophobicContact CB-CG2 4.29Å; I298-V313 HydrophobicContact CD1-CG1 4.19Å; A309-V313 WeakPolarHBondContact O-CG2 3.47Å; A309-V313 PolarHBondContact O-N 3.47Å; G310-V313 PolarHBondContact O-N 3.36Å; R311-V313 VanDerWaalsContact C-N 3.34Å; R311-V313 PolarHBondContact O-N 3.34Å; V313-H317 HydrophobicContact CG1-CB 4.44Å; V313-H317 CarbonylContact O-C 3.59Å; V313-H317 WeakPolarHBondContact O-CA 3.41Å; V313-H317 VanDerWaalsContact O-CB 3.24Å; V313-H317 WeakPolarHBondContact O-CB 3.43Å; V313-H317 PolarHBondContact O-N 3.39Å; V313-M318 PolarHBondContact O-N 2.93Å; V313-I319 HydrophobicContact CG1-CB 4.02Å; V313-I319 HydrophobicContact CG1-CD1 4.03Å; V313-I319 HydrophobicContact CG1-CG1 4.48Å; V313-I319 HydrophobicContact CG1-CG2 4.47Å; V313-I319 PolarHBondContact O-N 2.82Å; V313-L325 HydrophobicContact CB-CD2 3.59Å; V313-L325 HydrophobicContact CG1-CD2 3.46Å; V313-L325 VanDerWaalsContact CG1-CD2 3.46Å; V313-L328 HydrophobicContact CG1-CB 3.96Å; V313-L328 HydrophobicContact CG1-CD1 3.69Å; V313-L328 HydrophobicContact CG2-CB 4.28Å; V313-V329 HydrophobicContact CG2-CG2 3.96Å
314	K	82.2	Confident	75.8	Confident	114 Å²	114	80.2 Å²	80.2	50%	0.496	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-46.9	174.9	-171.5	175	179.2	174.7	0	112.6	G310 R311 H312 M318 I319 L325	G310-K314 PolarHBondContact O-N 3.09Å; R311-K314 WeakPolarHBondContact O-CB 3.38Å; R311-K314 PolarHBondContact O-N 3.26Å; H312-K314 VanDerWaalsContact C-N 3.28Å; H312-K314 PolarHBondContact O-N 3.46Å; K314-M318 WeakPolarHBondContact O-CA 3.35Å; K314-M318 PolarHBondContact O-N 2.97Å; K314-I319 WeakPolarHBondContact CA-O 3.49Å; K314-L325 HydrophobicContact CB-CD2 4.28Å
315	E	82.1	Confident	75.5	Confident	123 Å²	123	76.8 Å²	76.8	58%	0.575	36%	0.363	S	S	*	.	H	α-helix	trans	-82.6	-49.1	-173.2	-68.6	171.9	178.9	0	0	112.9	R311 H312	R311-E315 WeakPolarHBondContact CD-OE1 3.22Å; R311-E315 VanDerWaalsContact CG-CD 3.46Å; R311-E315 HydrophobicContact CG-CG 4.21Å; R311-E315 WeakPolarHBondContact CG-OE1 3.47Å; R311-E315 WeakPolarHBondContact O-CB 3.47Å; R311-E315 WeakPolarHBondContact O-CG 3.31Å; R311-E315 PolarHBondContact O-N 3.17Å; H312-E315 PolarHBondContact O-N 3.29Å
316	D	82.2	Confident	74.9	Confident	68 Å²	68	78.6 Å²	78.6	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-85.7	-21.8	-174.7	-74.9	-10	0	0	0	113.1	K301 H312	K301-D316 IonicContact NZ-OD2 2.74Å; K301-D316 PolarHBondContact NZ-OD2 3.33Å; K301-D316 VanDerWaalsContact NZ-OD2 3.1Å; H312-D316 IonicContact CE1-OD2 2.75Å; H312-D316 PolarHBondContact CE1-OD2 3.03Å; H312-D316 IonicContact ND1-OD2 3.1Å; H312-D316 PolarHBondContact ND1-OD2 3.41Å; H312-D316 WeakPolarHBondContact O-CB 3.35Å; H312-D316 PolarHBondContact O-N 3.16Å
317	H	80.9	Confident	74.6	Confident	31 Å²	31	79.7 Å²	79.7	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-115	-3.8	-179.4	-54.1	-45.3	0	0	0	113.9	C296 I298 H312 V313 I319	C296-H317 VanDerWaalsContact SG-CD2 3.59Å; C296-H317 PolarHBondContact SG-NE2 3.1Å; C296-H317 VanDerWaalsContact SG-NE2 3.36Å; I298-H317 WeakPolarHBondContact CB-NE2 3.39Å; I298-H317 HydrophobicContact CD1-CB 3.74Å; I298-H317 VanDerWaalsContact CG2-CE1 3.44Å; I298-H317 WeakPolarHBondContact CG2-CE1 3.31Å; H312-H317 AromaticContact CE1-NE2 3.58Å; H312-H317 AromaticContact NE2-CD2 3.68Å; H312-H317 AromaticContact NE2-NE2 3.17Å; H312-H317 PolarHBondContact NE2-NE2 3.14Å; H312-H317 VanDerWaalsContact NE2-NE2 3.17Å; V313-H317 HydrophobicContact CG1-CB 4.44Å; V313-H317 CarbonylContact O-C 3.59Å; V313-H317 WeakPolarHBondContact O-CA 3.41Å; V313-H317 VanDerWaalsContact O-CB 3.24Å; V313-H317 WeakPolarHBondContact O-CB 3.43Å; V313-H317 PolarHBondContact O-N 3.39Å; H317-I319 VanDerWaalsContact C-N 3.26Å; H317-I319 HydrophobicContact CB-CD1 4.01Å; H317-I319 HydrophobicContact CB-CG1 4.22Å; H317-I319 WeakPolarHBondContact O-CG1 3.36Å; H317-I319 PolarHBondContact O-N 2.83Å
318	M	77.5	Confident	74.5	Confident	166 Å²	166	73 Å²	73	82%	0.818	35%	0.354	S	S	*	.			trans	56.8	38.5	177.8	-53.3	-169.3	83.1	0	0	113	V313 K314	V313-M318 PolarHBondContact O-N 2.93Å; K314-M318 WeakPolarHBondContact O-CA 3.35Å; K314-M318 PolarHBondContact O-N 2.97Å
319	I	71.2	Confident	74.1	Confident	35 Å²	35	72.5 Å²	72.5	18%	0.179	35%	0.35	C	S	.	.			trans	-105.4	106.5	179.3	-61.2	173.2	0	0	0	107.9	I298 V313 K314 H317 R324 L325 L328	I298-I319 HydrophobicContact CD1-CD1 3.31Å; V313-I319 HydrophobicContact CG1-CB 4.02Å; V313-I319 HydrophobicContact CG1-CD1 4.03Å; V313-I319 HydrophobicContact CG1-CG1 4.48Å; V313-I319 HydrophobicContact CG1-CG2 4.47Å; V313-I319 PolarHBondContact O-N 2.82Å; K314-I319 WeakPolarHBondContact CA-O 3.49Å; H317-I319 VanDerWaalsContact C-N 3.26Å; H317-I319 HydrophobicContact CB-CD1 4.01Å; H317-I319 HydrophobicContact CB-CG1 4.22Å; H317-I319 WeakPolarHBondContact O-CG1 3.36Å; H317-I319 PolarHBondContact O-N 2.83Å; I319-R324 HydrophobicContact CG2-CB 3.67Å; I319-L325 HydrophobicContact CB-CD2 4.41Å; I319-L325 HydrophobicContact CG2-CD2 4.27Å; I319-L325 VanDerWaalsContact O-CD2 3.27Å; I319-L325 WeakPolarHBondContact O-CD2 3.35Å; I319-L328 HydrophobicContact CB-CD1 4.43Å; I319-L328 HydrophobicContact CD1-CD1 3.29Å; I319-L328 HydrophobicContact CG1-CD1 4.39Å; I319-L328 HydrophobicContact CG2-CD1 3.91Å
320	T	68.4	Low	73.5	Confident	105 Å²	105	74.1 Å²	74.1	64%	0.644	36%	0.359	S	S	*	.			trans	-95.8	-14.5	-178.4	52.5	0	0	0	0	113.2	E322	T320-E322 PolarHBondContact O-N 2.75Å
321	D	72.3	Confident	72.7	Confident	62 Å²	62	76.9 Å²	76.9	33%	0.332	38%	0.375	S	S	.	.			trans	-70.7	111.1	178	176.5	-16.3	0	0	0	109.8	Q323 R324 L325	D321-Q323 VanDerWaalsContact C-N 3.27Å; D321-Q323 PolarHBondContact O-N 3.19Å; D321-Q323 WeakPolarHBondContact OD1-CB 3.43Å; D321-Q323 PolarHBondContact OD1-N 3.43Å; D321-R324 HydrophobicContact CB-CB 3.95Å; D321-R324 HydrophobicContact CB-CG 4.13Å; D321-R324 CarbonylContact O-C 3.56Å; D321-R324 WeakPolarHBondContact O-CA 3.39Å; D321-R324 WeakPolarHBondContact O-CB 3.36Å; D321-R324 PolarHBondContact O-N 2.81Å; D321-R324 VanDerWaalsContact O-N 3.07Å; D321-R324 PolarHBondContact OD1-N 3.22Å; D321-R324 WeakPolarHBondContact OD2-CD 3.47Å; D321-R324 WeakPolarHBondContact OD2-CG 3.1Å; D321-L325 WeakPolarHBondContact O-CG 3.48Å; D321-L325 PolarHBondContact O-N 2.82Å
322	E	63.3	Low	71.8	Confident	154 Å²	154	71.1 Å²	71.1	72%	0.72	36%	0.359	S	S	*	.	H	α-helix	trans	-60.7	-34.1	-177.1	-63.4	-171.3	160.8	0	0	113.1	T320 R324 L325 L326	T320-E322 PolarHBondContact O-N 2.75Å; E322-R324 VanDerWaalsContact C-N 3.34Å; E322-L325 WeakPolarHBondContact O-CB 3.48Å; E322-L325 PolarHBondContact O-N 2.87Å; E322-L326 PolarHBondContact O-N 2.99Å; E322-L326 VanDerWaalsContact O-N 3.09Å
323	Q	56.2	Low	70.4	Confident	90 Å²	90	81.9 Å²	81.9	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-41.7	175.8	-58.3	-172.6	-54.5	0	0	109.8	D321 L326 T327	D321-Q323 VanDerWaalsContact C-N 3.27Å; D321-Q323 PolarHBondContact O-N 3.19Å; D321-Q323 WeakPolarHBondContact OD1-CB 3.43Å; D321-Q323 PolarHBondContact OD1-N 3.43Å; Q323-L326 PolarHBondContact O-N 3.48Å; Q323-T327 WeakPolarHBondContact O-CG2 3.33Å; Q323-T327 PolarHBondContact O-N 2.73Å
324	R	66.8	Low	68.9	Low	158 Å²	158	84.6 Å²	84.6	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-65.7	-42.3	172.9	-74.7	179.9	152.1	162.2	-3.1	111.8	I319 D321 E322 L326 T327 L328	I319-R324 HydrophobicContact CG2-CB 3.67Å; D321-R324 HydrophobicContact CB-CB 3.95Å; D321-R324 HydrophobicContact CB-CG 4.13Å; D321-R324 CarbonylContact O-C 3.56Å; D321-R324 WeakPolarHBondContact O-CA 3.39Å; D321-R324 WeakPolarHBondContact O-CB 3.36Å; D321-R324 PolarHBondContact O-N 2.81Å; D321-R324 VanDerWaalsContact O-N 3.07Å; D321-R324 PolarHBondContact OD1-N 3.22Å; D321-R324 WeakPolarHBondContact OD2-CD 3.47Å; D321-R324 WeakPolarHBondContact OD2-CG 3.1Å; E322-R324 VanDerWaalsContact C-N 3.34Å; R324-L326 VanDerWaalsContact C-N 3.28Å; R324-L326 PolarHBondContact O-N 3.29Å; R324-T327 PolarHBondContact O-N 3.28Å; R324-T327 VanDerWaalsContact O-N 3.1Å; R324-T327 PolarHBondContact O-OG1 3.13Å; R324-L328 HydrophobicContact CB-CD1 4.2Å; R324-L328 WeakPolarHBondContact O-CB 3.37Å; R324-L328 VanDerWaalsContact O-CD1 3.23Å; R324-L328 WeakPolarHBondContact O-CD1 3.2Å; R324-L328 WeakPolarHBondContact O-CG 3.32Å; R324-L328 PolarHBondContact O-N 3.48Å
325	L	70.3	Confident	67.4	Low	19 Å²	19	82.4 Å²	82.4	10%	0.099	41%	0.41	C	S	.	.	H	α-helix	trans	-53.2	-46.1	176.8	-72.4	178.1	0	0	0	111.8	G310 V313 K314 I319 D321 E322 T327 L328 V329	G310-L325 WeakPolarHBondContact O-CD2 3.32Å; V313-L325 HydrophobicContact CB-CD2 3.59Å; V313-L325 HydrophobicContact CG1-CD2 3.46Å; V313-L325 VanDerWaalsContact CG1-CD2 3.46Å; K314-L325 HydrophobicContact CB-CD2 4.28Å; I319-L325 HydrophobicContact CB-CD2 4.41Å; I319-L325 HydrophobicContact CG2-CD2 4.27Å; I319-L325 VanDerWaalsContact O-CD2 3.27Å; I319-L325 WeakPolarHBondContact O-CD2 3.35Å; D321-L325 WeakPolarHBondContact O-CG 3.48Å; D321-L325 PolarHBondContact O-N 2.82Å; E322-L325 WeakPolarHBondContact O-CB 3.48Å; E322-L325 PolarHBondContact O-N 2.87Å; L325-T327 PolarHBondContact O-N 3.48Å; L325-L328 PolarHBondContact O-N 3.29Å; L325-L328 VanDerWaalsContact O-N 3.13Å; L325-V329 PolarHBondContact O-N 3.49Å
326	L	61.9	Low	65.6	Low	102 Å²	102	85 Å²	85	53%	0.534	43%	0.427	S	S	.	.	H	α-helix	trans	-59.1	-45	176.7	-77.1	159.1	0	0	0	112.4	Y306 E322 Q323 R324 L328 V329	Y306-L326 HydrophobicContact CE1-CD2 4.27Å; Y306-L326 HydrophobicContact CE2-CD2 3.99Å; Y306-L326 VanDerWaalsContact CZ-CD2 3.48Å; Y306-L326 WeakPolarHBondContact OH-CA 3.46Å; Y306-L326 WeakPolarHBondContact OH-CD2 3.15Å; Y306-L326 WeakPolarHBondContact OH-CG 2.93Å; E322-L326 PolarHBondContact O-N 2.99Å; E322-L326 VanDerWaalsContact O-N 3.09Å; Q323-L326 PolarHBondContact O-N 3.48Å; R324-L326 VanDerWaalsContact C-N 3.28Å; R324-L326 PolarHBondContact O-N 3.29Å; L326-L328 PolarHBondContact O-N 3.47Å; L326-V329 PolarHBondContact O-N 3.3Å
327	T	68.5	Low	64.3	Low	87 Å²	87	86.1 Å²	86.1	53%	0.534	43%	0.429	S	S	.	.	H	α-helix	trans	-69.2	-19.4	178.2	63.2	0	0	0	0	113.8	Q323 R324 L325	Q323-T327 WeakPolarHBondContact O-CG2 3.33Å; Q323-T327 PolarHBondContact O-N 2.73Å; R324-T327 PolarHBondContact O-N 3.28Å; R324-T327 VanDerWaalsContact O-N 3.1Å; R324-T327 PolarHBondContact O-OG1 3.13Å; L325-T327 PolarHBondContact O-N 3.48Å
328	L	73.3	Confident	63	Low	29 Å²	29	90.2 Å²	90.2	15%	0.152	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-1.6	-174.4	-64.1	165.8	0	0	0	113.2	C296 T297 I298 V313 I319 R324 L325 L326	C296-L328 CarbonylContact C-O 3.5Å; C296-L328 WeakPolarHBondContact CA-O 3.27Å; T297-L328 PolarHBondContact N-O 3.44Å; T297-L328 VanDerWaalsContact OG1-CA 3.26Å; T297-L328 WeakPolarHBondContact OG1-CA 3.48Å; T297-L328 WeakPolarHBondContact OG1-CD2 3.4Å; T297-L328 PolarHBondContact OG1-O 3.36Å; I298-L328 HydrophobicContact CD1-CD1 3.85Å; I298-L328 HydrophobicContact CD1-CD2 3.9Å; I298-L328 HydrophobicContact CD1-CG 4.31Å; I298-L328 HydrophobicContact CG1-CD2 3.81Å; V313-L328 HydrophobicContact CG1-CB 3.96Å; V313-L328 HydrophobicContact CG1-CD1 3.69Å; V313-L328 HydrophobicContact CG2-CB 4.28Å; I319-L328 HydrophobicContact CB-CD1 4.43Å; I319-L328 HydrophobicContact CD1-CD1 3.29Å; I319-L328 HydrophobicContact CG1-CD1 4.39Å; I319-L328 HydrophobicContact CG2-CD1 3.91Å; R324-L328 HydrophobicContact CB-CD1 4.2Å; R324-L328 WeakPolarHBondContact O-CB 3.37Å; R324-L328 VanDerWaalsContact O-CD1 3.23Å; R324-L328 WeakPolarHBondContact O-CD1 3.2Å; R324-L328 WeakPolarHBondContact O-CG 3.32Å; R324-L328 PolarHBondContact O-N 3.48Å; L325-L328 PolarHBondContact O-N 3.29Å; L325-L328 VanDerWaalsContact O-N 3.13Å; L326-L328 PolarHBondContact O-N 3.47Å
329	V	70.9	Confident	62.3	Low	8 Å²	8	86.6 Å²	86.6	5%	0.048	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114	176.6	176.8	0	0	0	0	108.9	H294 K295 Y306 A309 V313 L325 L326	H294-V329 HydrophobicContact CB-CG1 3.83Å; K295-V329 WeakPolarHBondContact O-CA 3.47Å; Y306-V329 HydrophobicContact CD2-CB 4.05Å; Y306-V329 HydrophobicContact CD2-CG1 3.5Å; Y306-V329 HydrophobicContact CE2-CB 3.77Å; Y306-V329 HydrophobicContact CE2-CG1 3.79Å; Y306-V329 HydrophobicContact CE2-CG2 4.48Å; Y306-V329 HydrophobicContact CG-CG1 4.46Å; A309-V329 HydrophobicContact CB-CB 4.22Å; A309-V329 HydrophobicContact CB-CG1 3.44Å; A309-V329 VanDerWaalsContact CB-CG1 3.44Å; A309-V329 HydrophobicContact CB-CG2 3.67Å; V313-V329 HydrophobicContact CG2-CG2 3.96Å; L325-V329 PolarHBondContact O-N 3.49Å; L326-V329 PolarHBondContact O-N 3.3Å
330	I	67.8	Low	62	Low	34 Å²	34	86.1 Å²	86.1	17%	0.174	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.4	-179.7	58.7	173.4	0	0	0	111	H294 K295 T297 S332 F337	H294-I330 CarbonylContact C-O 3.59Å; H294-I330 WeakPolarHBondContact CA-O 3.33Å; K295-I330 HydrophobicContact CB-CG1 4.34Å; K295-I330 PolarHBondContact N-O 3.25Å; K295-I330 PolarHBondContact O-N 2.94Å; T297-I330 HydrophobicContact CG2-CB 4.27Å; T297-I330 HydrophobicContact CG2-CD1 3.84Å; T297-I330 HydrophobicContact CG2-CG1 3.73Å; T297-I330 HydrophobicContact CG2-CG2 3.7Å; I330-S332 PolarHBondContact O-N 3.18Å; I330-F337 HydrophobicContact CD1-CD2 4.39Å; I330-F337 HydrophobicContact CD1-CE2 3.69Å
331	P	64.1	Low	62.5	Low	66 Å²	66	84.5 Å²	84.5	43%	0.429	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	131.3	172.1	-22.5	33.2	0	0	0	111.2	E293 R333 N334	E293-P331 CarbonylContact O-C 3.57Å; E293-P331 WeakPolarHBondContact O-CA 3.23Å; P331-R333 PolarHBondContact O-N 3.21Å; P331-N334 PolarHBondContact O-N 3.29Å
332	S	63.5	Low	62.9	Low	33 Å²	33	81.7 Å²	81.7	23%	0.231	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.3	-173.6	-62.9	0	0	0	0	114.4	G292 E293 H294 D302 I330 N334	G292-S332 WeakPolarHBondContact O-CB 3.38Å; G292-S332 PolarHBondContact O-OG 3.22Å; G292-S332 VanDerWaalsContact O-OG 3.09Å; E293-S332 PolarHBondContact O-N 3Å; H294-S332 PolarHBondContact N-OG 3.3Å; D302-S332 PolarHBondContact OD1-OG 2.95Å; I330-S332 PolarHBondContact O-N 3.18Å; S332-N334 VanDerWaalsContact C-N 3.27Å
333	R	57.2	Low	63.8	Low	235 Å²	235	82.6 Å²	82.6	89%	0.887	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-7.8	175.4	-57.7	-174.3	-168.4	179.7	6.1	113.4	P331	P331-R333 PolarHBondContact O-N 3.21Å
334	N	47	Very low	65	Low	57 Å²	57	83.4 Å²	83.4	31%	0.305	42%	0.423	S	S	.	.	S	Bend	trans	-104	110.7	176.4	-100.4	-62.5	0	0	0	108.9	K188 P331 S332	K188-N334 PolarHBondContact NZ-OD1 3.34Å; P331-N334 PolarHBondContact O-N 3.29Å; S332-N334 VanDerWaalsContact C-N 3.27Å
335	V	50.1	Low	65.7	Low	69 Å²	69	78 Å²	78	42%	0.418	41%	0.409	S	S	.	.			trans	114.8	119.4	139.2	-159.5	0	0	0	0	117.9	F337	V335-F337 VanDerWaalsContact C-N 3.28Å; V335-F337 HydrophobicContact CB-CD1 4.41Å; V335-F337 HydrophobicContact CB-CD2 3.3Å; V335-F337 HydrophobicContact CB-CE1 4.23Å; V335-F337 HydrophobicContact CB-CE2 3.08Å; V335-F337 HydrophobicContact CB-CG 4Å; V335-F337 HydrophobicContact CB-CZ 3.6Å; V335-F337 HydrophobicContact CG1-CB 4.39Å; V335-F337 HydrophobicContact CG1-CD1 3.49Å; V335-F337 VanDerWaalsContact CG1-CD1 3.49Å; V335-F337 HydrophobicContact CG1-CD2 3.29Å; V335-F337 HydrophobicContact CG1-CE1 3.41Å; V335-F337 VanDerWaalsContact CG1-CE1 3.41Å; V335-F337 HydrophobicContact CG1-CE2 3.23Å; V335-F337 HydrophobicContact CG1-CG 3.43Å; V335-F337 VanDerWaalsContact CG1-CG 3.43Å; V335-F337 HydrophobicContact CG1-CZ 3.29Å; V335-F337 HydrophobicContact CG2-CD2 4.09Å; V335-F337 HydrophobicContact CG2-CE1 4.45Å; V335-F337 HydrophobicContact CG2-CE2 3.31Å; V335-F337 HydrophobicContact CG2-CZ 3.53Å; V335-F337 PolarHBondContact O-N 2.96Å
336	D	45.3	Very low	66.1	Low	176 Å²	176	83.5 Å²	83.5	94%	0.941	43%	0.434	S	S	*	.			trans	-72.9	75.9	159.4	-63.1	-44.4	0	0	0	109.9
337	F	54.3	Low	66.5	Low	92 Å²	92	83.6 Å²	83.6	40%	0.404	43%	0.428	S	S	.	.			trans	-85.1	144.6	173.6	-71.9	-65.4	0	0	0	110.6	F300 I330 V335 I339	F300-F337 HydrophobicContact CE1-CD2 4.3Å; F300-F337 HydrophobicContact CZ-CB 4.32Å; I330-F337 HydrophobicContact CD1-CD2 4.39Å; I330-F337 HydrophobicContact CD1-CE2 3.69Å; V335-F337 VanDerWaalsContact C-N 3.28Å; V335-F337 HydrophobicContact CB-CD1 4.41Å; V335-F337 HydrophobicContact CB-CD2 3.3Å; V335-F337 HydrophobicContact CB-CE1 4.23Å; V335-F337 HydrophobicContact CB-CE2 3.08Å; V335-F337 HydrophobicContact CB-CG 4Å; V335-F337 HydrophobicContact CB-CZ 3.6Å; V335-F337 HydrophobicContact CG1-CB 4.39Å; V335-F337 HydrophobicContact CG1-CD1 3.49Å; V335-F337 VanDerWaalsContact CG1-CD1 3.49Å; V335-F337 HydrophobicContact CG1-CD2 3.29Å; V335-F337 HydrophobicContact CG1-CE1 3.41Å; V335-F337 VanDerWaalsContact CG1-CE1 3.41Å; V335-F337 HydrophobicContact CG1-CE2 3.23Å; V335-F337 HydrophobicContact CG1-CG 3.43Å; V335-F337 VanDerWaalsContact CG1-CG 3.43Å; V335-F337 HydrophobicContact CG1-CZ 3.29Å; V335-F337 HydrophobicContact CG2-CD2 4.09Å; V335-F337 HydrophobicContact CG2-CE1 4.45Å; V335-F337 HydrophobicContact CG2-CE2 3.31Å; V335-F337 HydrophobicContact CG2-CZ 3.53Å; V335-F337 PolarHBondContact O-N 2.96Å; F337-I339 PolarHBondContact O-N 3.33Å
338	V	53.2	Low	66.7	Low	118 Å²	118	80.8 Å²	80.8	72%	0.715	41%	0.41	S	S	*	.			trans	-69.3	96.5	165.1	179.4	0	0	0	0	108.1	S340	V338-S340 PolarHBondContact O-N 2.91Å
339	I	63	Low	66.5	Low	89 Å²	89	80 Å²	80	46%	0.456	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-78.4	117.8	178.9	-60	177.5	0	0	0	109.1	F300 F337 T348	F300-I339 HydrophobicContact CD2-CB 4.49Å; F300-I339 HydrophobicContact CD2-CD1 4.2Å; F300-I339 HydrophobicContact CD2-CG1 4.04Å; F300-I339 HydrophobicContact CD2-CG2 3.79Å; F300-I339 HydrophobicContact CE2-CB 4.21Å; F300-I339 HydrophobicContact CE2-CD1 4.33Å; F300-I339 HydrophobicContact CE2-CG1 3.72Å; F300-I339 HydrophobicContact CE2-CG2 3.88Å; F300-I339 HydrophobicContact CG-CD1 4.24Å; F300-I339 HydrophobicContact CZ-CG1 3.97Å; F337-I339 PolarHBondContact O-N 3.33Å; I339-T348 HydrophobicContact CG2-CG2 3.79Å
340	S	65.5	Low	66.3	Low	25 Å²	25	80.7 Å²	80.7	18%	0.175	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.1	177.1	-56.4	0	0	0	0	110.1	V338 F349	V338-S340 PolarHBondContact O-N 2.91Å; S340-F349 PolarHBondContact N-O 2.87Å; S340-F349 PolarHBondContact O-N 2.98Å
341	K	78.4	Confident	66.2	Low	72 Å²	72	84.3 Å²	84.3	31%	0.313	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.9	-176.4	-164.7	178.7	-178.3	-174.8	0	111.4	L283 E346 R347 T348	L283-K341 HydrophobicContact CD1-CB 4.25Å; L283-K341 HydrophobicContact CD1-CD 3.56Å; K341-E346 VanDerWaalsContact CE-CA 3.47Å; K341-E346 VanDerWaalsContact CE-O 3.27Å; K341-E346 WeakPolarHBondContact CE-O 3.06Å; K341-E346 WeakPolarHBondContact CE-OE2 3.4Å; K341-E346 IonicContact NZ-OE2 2.74Å; K341-E346 PolarHBondContact NZ-OE2 2.74Å; K341-R347 CarbonylContact C-O 3.41Å; K341-R347 WeakPolarHBondContact CA-O 3.48Å; K341-T348 HydrophobicContact CB-CG2 4.14Å; K341-T348 HydrophobicContact CD-CG2 4.4Å; K341-T348 HydrophobicContact CG-CG2 3.86Å
342	C	81	Confident	66.7	Low	3 Å²	3	85.1 Å²	85.1	2%	0.02	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-78.7	129.3	170.8	-177.5	0	0	0	0	110.5	V344 E346 R347 F349 L355 H358 H362	C342-V344 VanDerWaalsContact C-N 3.27Å; C342-V344 PolarHBondContact O-N 3.44Å; C342-E346 WeakPolarHBondContact O-CA 3.23Å; C342-E346 PolarHBondContact O-N 3.04Å; C342-R347 WeakPolarHBondContact CB-O 3.46Å; C342-R347 PolarHBondContact N-O 3.43Å; C342-F349 HydrophobicContact CB-CE2 4.1Å; C342-L355 HydrophobicContact CB-CD1 3.65Å; C342-H358 VanDerWaalsContact SG-CD2 3.51Å; C342-H358 PolarHBondContact SG-NE2 3.49Å; C342-H362 PolarHBondContact SG-CD2 3.17Å; C342-H362 PolarHBondContact SG-NE2 3.42Å; C342-H362 VanDerWaalsContact SG-NE2 3.35Å
343	E	81.8	Confident	67.3	Low	173 Å²	173	90.2 Å²	90.2	81%	0.808	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.3	-178.6	-62.7	176.5	176.2	0	0	113.1
344	V	81.6	Confident	68.2	Low	106 Å²	106	82.5 Å²	82.5	64%	0.642	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-41.5	-174.5	-176.8	0	0	0	0	112.5	C342 H362	C342-V344 VanDerWaalsContact C-N 3.27Å; C342-V344 PolarHBondContact O-N 3.44Å; V344-H362 HydrophobicContact CG1-CB 4.32Å; V344-H362 WeakPolarHBondContact CG1-ND1 3.36Å; V344-H362 HydrophobicContact CG2-CB 4.44Å
345	C	80.4	Confident	69.8	Low	46 Å²	46	80.5 Å²	80.5	31%	0.311	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	7.9	-176.3	71.8	0	0	0	0	114.7	R347 H358 H362	C345-R347 PolarHBondContact O-N 3.1Å; C345-R347 VanDerWaalsContact SG-CG 3.52Å; C345-H358 VanDerWaalsContact SG-CE1 3.52Å; C345-H358 PolarHBondContact SG-NE2 3.31Å; C345-H362 VanDerWaalsContact CB-CE1 3.49Å; C345-H362 WeakPolarHBondContact CB-CE1 3.39Å; C345-H362 VanDerWaalsContact SG-CE1 3.54Å; C345-H362 PolarHBondContact SG-NE2 3.4Å
346	E	78.5	Confident	71.2	Confident	133 Å²	133	81.5 Å²	81.5	62%	0.621	41%	0.413	S	S	*	.			trans	63.5	7.8	175.1	-61.8	-161.8	-158.5	0	0	116.2	K341 C342	K341-E346 VanDerWaalsContact CE-CA 3.47Å; K341-E346 VanDerWaalsContact CE-O 3.27Å; K341-E346 WeakPolarHBondContact CE-O 3.06Å; K341-E346 WeakPolarHBondContact CE-OE2 3.4Å; K341-E346 IonicContact NZ-OE2 2.74Å; K341-E346 PolarHBondContact NZ-OE2 2.74Å; C342-E346 WeakPolarHBondContact O-CA 3.23Å; C342-E346 PolarHBondContact O-N 3.04Å
347	R	71.7	Confident	72.7	Confident	105 Å²	105	79.5 Å²	79.5	40%	0.396	39%	0.392	S	S	.	.			trans	-66.2	141.1	173.5	-70.2	179.8	-177.3	-152.8	-2.6	111	K341 C342 C345 F349	K341-R347 CarbonylContact C-O 3.41Å; K341-R347 WeakPolarHBondContact CA-O 3.48Å; C342-R347 WeakPolarHBondContact CB-O 3.46Å; C342-R347 PolarHBondContact N-O 3.43Å; C345-R347 PolarHBondContact O-N 3.1Å; C345-R347 VanDerWaalsContact SG-CG 3.52Å; R347-F349 HydrophobicContact CB-CE2 3.76Å; R347-F349 HydrophobicContact CB-CZ 3.85Å; R347-F349 WeakPolarHBondContact O-CE2 3.37Å
348	T	72.1	Confident	74	Confident	27 Å²	27	76.2 Å²	76.2	17%	0.166	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.1	-171.1	46.1	0	0	0	0	111.9	I298 C299 F300 I339 K341	I298-T348 CarbonylContact C-O 3.57Å; I298-T348 CarbonylContact O-C 3.56Å; C299-T348 WeakPolarHBondContact CA-O 3.49Å; C299-T348 PolarHBondContact N-O 3.35Å; C299-T348 PolarHBondContact O-OG1 3.48Å; F300-T348 VanDerWaalsContact CD2-O 3.24Å; F300-T348 WeakPolarHBondContact CD2-O 3.29Å; I339-T348 HydrophobicContact CG2-CG2 3.79Å; K341-T348 HydrophobicContact CB-CG2 4.14Å; K341-T348 HydrophobicContact CD-CG2 4.4Å; K341-T348 HydrophobicContact CG-CG2 3.86Å
349	F	69.6	Low	75.3	Confident	13 Å²	13	74.4 Å²	74.4	6%	0.057	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.1	-171.4	-61.8	-89.5	0	0	0	112.1	I298 S340 C342 R347 K351 F354 L355 H358	I298-F349 HydrophobicContact CG2-CE1 4.29Å; S340-F349 PolarHBondContact N-O 2.87Å; S340-F349 PolarHBondContact O-N 2.98Å; C342-F349 HydrophobicContact CB-CE2 4.1Å; R347-F349 HydrophobicContact CB-CE2 3.76Å; R347-F349 HydrophobicContact CB-CZ 3.85Å; R347-F349 WeakPolarHBondContact O-CE2 3.37Å; F349-K351 VanDerWaalsContact C-N 3.31Å; F349-K351 PolarHBondContact O-N 3.08Å; F349-F354 HydrophobicContact CB-CB 4.18Å; F349-F354 HydrophobicContact CD1-CB 3.88Å; F349-F354 HydrophobicContact CG-CB 4.38Å; F349-L355 HydrophobicContact CB-CB 4.06Å; F349-L355 HydrophobicContact CD2-CB 3.87Å; F349-L355 HydrophobicContact CD2-CD1 3.62Å; F349-L355 HydrophobicContact CD2-CG 4.33Å; F349-L355 HydrophobicContact CE2-CD1 3.86Å; F349-L355 HydrophobicContact CG-CB 4.07Å; F349-H358 HydrophobicContact CD1-CB 4.44Å; F349-H358 HydrophobicContact CE1-CB 3.64Å; F349-H358 AromaticContact CE1-CG 3.83Å; F349-H358 HydrophobicContact CE2-CB 3.93Å; F349-H358 AromaticContact CE2-CD2 3.28Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.39Å; F349-H358 AromaticContact CE2-CG 3.58Å; F349-H358 AromaticContact CE2-NE2 3.85Å; F349-H358 HydrophobicContact CZ-CB 3.37Å; F349-H358 AromaticContact CZ-CD2 3.26Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.39Å; F349-H358 AromaticContact CZ-CE1 3.9Å; F349-H358 AromaticContact CZ-CG 3.06Å; F349-H358 AromaticContact CZ-ND1 3.5Å; F349-H358 AromaticContact CZ-NE2 3.75Å
350	S	66.6	Low	76	Confident	22 Å²	22	73 Å²	73	15%	0.154	35%	0.353	C	S	.	.	S	Bend	trans	-73.6	-18.9	-177.7	48.3	0	0	0	0	114.9	T297 F300	T297-S350 VanDerWaalsContact O-CB 3.31Å; T297-S350 WeakPolarHBondContact O-CB 3.49Å; T297-S350 PolarHBondContact O-OG 3.09Å; F300-S350 VanDerWaalsContact CE2-N 3.33Å; F300-S350 VanDerWaalsContact CZ-CB 3.4Å
351	K	65.9	Low	76.6	Confident	110 Å²	110	73.6 Å²	73.6	48%	0.478	36%	0.36	S	S	.	.	S	Bend	trans	-136.1	144.4	175.7	-61.9	-174.6	179.7	-177.4	0	109.4	F349 E353 F354 L355	F349-K351 VanDerWaalsContact C-N 3.31Å; F349-K351 PolarHBondContact O-N 3.08Å; K351-E353 PolarHBondContact O-N 2.98Å; K351-F354 HydrophobicContact CB-CD2 3.74Å; K351-F354 HydrophobicContact CB-CE2 4.13Å; K351-F354 HydrophobicContact CB-CG 4.41Å; K351-F354 HydrophobicContact CD-CD2 4.33Å; K351-F354 HydrophobicContact CD-CE2 3.83Å; K351-F354 HydrophobicContact CD-CZ 4.41Å; K351-F354 HydrophobicContact CG-CD2 4.12Å; K351-F354 HydrophobicContact CG-CE2 4.04Å; K351-F354 PolarHBondContact O-N 3.33Å; K351-F354 VanDerWaalsContact O-N 3.11Å; K351-L355 PolarHBondContact O-N 3.44Å
352	P	73.3	Confident	76.7	Confident	83 Å²	83	73.5 Å²	73.5	54%	0.539	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-32.9	175.4	24.1	-33.4	0	0	0	112.1	F354 L355 E356	P352-F354 VanDerWaalsContact C-N 3.29Å; P352-F354 PolarHBondContact O-N 3.2Å; P352-L355 WeakPolarHBondContact O-CB 3.46Å; P352-L355 PolarHBondContact O-N 2.97Å; P352-L355 VanDerWaalsContact O-N 3.16Å; P352-E356 PolarHBondContact O-N 3.46Å
353	E	77.1	Confident	76.3	Confident	140 Å²	140	76.5 Å²	76.5	65%	0.654	38%	0.379	S	S	*	.	H	α-helix	trans	-57.6	-39.1	175.3	-65	170.8	-179.4	0	0	112.8	K351 E356 R357	K351-E353 PolarHBondContact O-N 2.98Å; E353-E356 PolarHBondContact O-N 3.17Å; E353-R357 PolarHBondContact O-N 3.44Å
354	F	76.1	Confident	75.9	Confident	73 Å²	73	75.4 Å²	75.4	32%	0.32	38%	0.379	S	S	.	.	H	α-helix	trans	-74.1	-34.8	178.3	-63.9	-41.7	0	0	0	112.2	F349 K351 P352 H358	F349-F354 HydrophobicContact CB-CB 4.18Å; F349-F354 HydrophobicContact CD1-CB 3.88Å; F349-F354 HydrophobicContact CG-CB 4.38Å; K351-F354 HydrophobicContact CB-CD2 3.74Å; K351-F354 HydrophobicContact CB-CE2 4.13Å; K351-F354 HydrophobicContact CB-CG 4.41Å; K351-F354 HydrophobicContact CD-CD2 4.33Å; K351-F354 HydrophobicContact CD-CE2 3.83Å; K351-F354 HydrophobicContact CD-CZ 4.41Å; K351-F354 HydrophobicContact CG-CD2 4.12Å; K351-F354 HydrophobicContact CG-CE2 4.04Å; K351-F354 PolarHBondContact O-N 3.33Å; K351-F354 VanDerWaalsContact O-N 3.11Å; P352-F354 VanDerWaalsContact C-N 3.29Å; P352-F354 PolarHBondContact O-N 3.2Å; F354-H358 VanDerWaalsContact O-CB 3.23Å; F354-H358 WeakPolarHBondContact O-CB 3.46Å; F354-H358 PolarHBondContact O-N 2.83Å
355	L	79.5	Confident	75.5	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-45	172.1	173.9	61.1	0	0	0	110.8	C342 F349 K351 P352 H358 K359	C342-L355 HydrophobicContact CB-CD1 3.65Å; F349-L355 HydrophobicContact CB-CB 4.06Å; F349-L355 HydrophobicContact CD2-CB 3.87Å; F349-L355 HydrophobicContact CD2-CD1 3.62Å; F349-L355 HydrophobicContact CD2-CG 4.33Å; F349-L355 HydrophobicContact CE2-CD1 3.86Å; F349-L355 HydrophobicContact CG-CB 4.07Å; K351-L355 PolarHBondContact O-N 3.44Å; P352-L355 WeakPolarHBondContact O-CB 3.46Å; P352-L355 PolarHBondContact O-N 2.97Å; P352-L355 VanDerWaalsContact O-N 3.16Å; L355-H358 CarbonylContact O-C 3.49Å; L355-H358 WeakPolarHBondContact O-CB 3.43Å; L355-H358 PolarHBondContact O-N 3.19Å; L355-H358 VanDerWaalsContact O-N 3.12Å; L355-K359 HydrophobicContact CD1-CG 4.46Å; L355-K359 WeakPolarHBondContact O-CG 3.38Å; L355-K359 PolarHBondContact O-N 3.16Å
356	E	79.4	Confident	75.4	Confident	89 Å²	89	74.5 Å²	74.5	42%	0.416	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-47	177.1	-75.6	-56.2	137.9	0	0	111.8	P352 E353 H358 K359	P352-E356 PolarHBondContact O-N 3.46Å; E353-E356 PolarHBondContact O-N 3.17Å; E356-H358 PolarHBondContact O-N 2.88Å; E356-K359 WeakPolarHBondContact O-CB 3.48Å; E356-K359 PolarHBondContact O-N 3.43Å; E356-K359 IonicContact OE1-NZ 3.43Å; E356-K359 PolarHBondContact OE1-NZ 2.86Å
357	R	78.8	Confident	75.5	Confident	135 Å²	135	71.5 Å²	71.5	51%	0.509	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-35.4	174	-174	174.6	62.3	171.3	-1.1	112.4	E353 I360	E353-R357 PolarHBondContact O-N 3.44Å; R357-I360 WeakPolarHBondContact O-CB 3.22Å; R357-I360 PolarHBondContact O-N 3.19Å
358	H	80.9	Confident	75.9	Confident	23 Å²	23	69.7 Å²	69.7	11%	0.106	36%	0.358	C	S	.	.	H	α-helix	trans	-70.9	-34.1	177.3	167.6	72.5	0	0	0	113	C342 C345 F349 F354 L355 E356 I360 A361 H362	C342-H358 VanDerWaalsContact SG-CD2 3.51Å; C342-H358 PolarHBondContact SG-NE2 3.49Å; C345-H358 VanDerWaalsContact SG-CE1 3.52Å; C345-H358 PolarHBondContact SG-NE2 3.31Å; F349-H358 HydrophobicContact CD1-CB 4.44Å; F349-H358 HydrophobicContact CE1-CB 3.64Å; F349-H358 AromaticContact CE1-CG 3.83Å; F349-H358 HydrophobicContact CE2-CB 3.93Å; F349-H358 AromaticContact CE2-CD2 3.28Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.39Å; F349-H358 AromaticContact CE2-CG 3.58Å; F349-H358 AromaticContact CE2-NE2 3.85Å; F349-H358 HydrophobicContact CZ-CB 3.37Å; F349-H358 AromaticContact CZ-CD2 3.26Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.39Å; F349-H358 AromaticContact CZ-CE1 3.9Å; F349-H358 AromaticContact CZ-CG 3.06Å; F349-H358 AromaticContact CZ-ND1 3.5Å; F349-H358 AromaticContact CZ-NE2 3.75Å; F354-H358 VanDerWaalsContact O-CB 3.23Å; F354-H358 WeakPolarHBondContact O-CB 3.46Å; F354-H358 PolarHBondContact O-N 2.83Å; L355-H358 CarbonylContact O-C 3.49Å; L355-H358 WeakPolarHBondContact O-CB 3.43Å; L355-H358 PolarHBondContact O-N 3.19Å; L355-H358 VanDerWaalsContact O-N 3.12Å; E356-H358 PolarHBondContact O-N 2.88Å; H358-I360 PolarHBondContact O-N 3.45Å; H358-A361 WeakPolarHBondContact O-CA 3.42Å; H358-A361 WeakPolarHBondContact O-CB 3.45Å; H358-A361 PolarHBondContact O-N 2.92Å; H358-H362 AromaticContact CD2-NE2 3.98Å; H358-H362 AromaticContact CE1-NE2 3.41Å; H358-H362 PolarHBondContact CE1-NE2 3.23Å; H358-H362 AromaticContact NE2-CD2 3.63Å; H358-H362 AromaticContact NE2-NE2 3.04Å; H358-H362 PolarHBondContact NE2-NE2 2.96Å
359	K	79.7	Confident	76.4	Confident	80 Å²	80	70.4 Å²	70.4	35%	0.348	37%	0.367	S	S	.	.	H	α-helix	trans	-57.3	-32.1	175.1	-73.6	173.8	-178.9	172.8	0	111.9	L355 E356 A361 H362 T363	L355-K359 HydrophobicContact CD1-CG 4.46Å; L355-K359 WeakPolarHBondContact O-CG 3.38Å; L355-K359 PolarHBondContact O-N 3.16Å; E356-K359 WeakPolarHBondContact O-CB 3.48Å; E356-K359 PolarHBondContact O-N 3.43Å; E356-K359 IonicContact OE1-NZ 3.43Å; E356-K359 PolarHBondContact OE1-NZ 2.86Å; K359-A361 PolarHBondContact O-N 3.24Å; K359-H362 WeakPolarHBondContact O-CB 3.42Å; K359-H362 PolarHBondContact O-N 3.36Å; K359-T363 PolarHBondContact O-N 3.26Å
360	I	77.8	Confident	76.9	Confident	58 Å²	58	70.3 Å²	70.3	30%	0.297	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-28.4	173	-52.9	171.9	0	0	0	111.6	R357 H358 H362 T363 K378	R357-I360 WeakPolarHBondContact O-CB 3.22Å; R357-I360 PolarHBondContact O-N 3.19Å; H358-I360 PolarHBondContact O-N 3.45Å; I360-H362 VanDerWaalsContact C-N 3.28Å; I360-H362 PolarHBondContact O-N 2.91Å; I360-T363 PolarHBondContact O-N 3.19Å; I360-T363 PolarHBondContact O-OG1 2.91Å; I360-T363 VanDerWaalsContact O-OG1 3.1Å; I360-K378 HydrophobicContact CG2-CB 4.47Å; I360-K378 PolarHBondContact O-NZ 3.3Å
361	A	77.7	Confident	77.5	Confident	39 Å²	39	77 Å²	77	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-68.2	-28.1	175.7	0	0	0	0	0	112.5	H358 K359 K378	H358-A361 WeakPolarHBondContact O-CA 3.42Å; H358-A361 WeakPolarHBondContact O-CB 3.45Å; H358-A361 PolarHBondContact O-N 2.92Å; K359-A361 PolarHBondContact O-N 3.24Å; A361-K378 PolarHBondContact O-NZ 2.8Å
362	H	80.7	Confident	77.6	Confident	69 Å²	69	73.9 Å²	73.9	32%	0.319	38%	0.382	S	S	.	.	H	α-helix	trans	-82	-20.1	176.1	-71.3	-56.1	0	0	0	114.2	C342 V344 C345 H358 K359 I360	C342-H362 PolarHBondContact SG-CD2 3.17Å; C342-H362 PolarHBondContact SG-NE2 3.42Å; C342-H362 VanDerWaalsContact SG-NE2 3.35Å; V344-H362 HydrophobicContact CG1-CB 4.32Å; V344-H362 WeakPolarHBondContact CG1-ND1 3.36Å; V344-H362 HydrophobicContact CG2-CB 4.44Å; C345-H362 VanDerWaalsContact CB-CE1 3.49Å; C345-H362 WeakPolarHBondContact CB-CE1 3.39Å; C345-H362 VanDerWaalsContact SG-CE1 3.54Å; C345-H362 PolarHBondContact SG-NE2 3.4Å; H358-H362 AromaticContact CD2-NE2 3.98Å; H358-H362 AromaticContact CE1-NE2 3.41Å; H358-H362 PolarHBondContact CE1-NE2 3.23Å; H358-H362 AromaticContact NE2-CD2 3.63Å; H358-H362 AromaticContact NE2-NE2 3.04Å; H358-H362 PolarHBondContact NE2-NE2 2.96Å; K359-H362 WeakPolarHBondContact O-CB 3.42Å; K359-H362 PolarHBondContact O-N 3.36Å; I360-H362 VanDerWaalsContact C-N 3.28Å; I360-H362 PolarHBondContact O-N 2.91Å
363	T	74.2	Confident	77.7	Confident	66 Å²	66	70.7 Å²	70.7	41%	0.405	36%	0.361	S	S	.	.	S	Bend	trans	-89.3	144.5	174.6	60.9	0	0	0	0	109.4	K359 I360 A365 K378	K359-T363 PolarHBondContact O-N 3.26Å; I360-T363 PolarHBondContact O-N 3.19Å; I360-T363 PolarHBondContact O-OG1 2.91Å; I360-T363 VanDerWaalsContact O-OG1 3.1Å; T363-A365 PolarHBondContact O-N 2.8Å; T363-A365 VanDerWaalsContact O-N 3.11Å; T363-A365 WeakPolarHBondContact OG1-CB 3.24Å; T363-K378 PolarHBondContact O-NZ 3.12Å
364	D	71.8	Confident	77.9	Confident	151 Å²	151	68.6 Å²	68.6	81%	0.807	36%	0.36	S	S	*	.			trans	-74.8	13	167.5	-64.9	-39.2	0	0	0	111.8	M366	D364-M366 PolarHBondContact O-N 3.35Å
365	A	74	Confident	78	Confident	51 Å²	51	70.1 Å²	70.1	42%	0.421	37%	0.368	S	S	.	.			trans	-69.8	115.7	176.8	0	0	0	0	0	109.3	T363 P367	T363-A365 PolarHBondContact O-N 2.8Å; T363-A365 VanDerWaalsContact O-N 3.11Å; T363-A365 WeakPolarHBondContact OG1-CB 3.24Å; A365-P367 VanDerWaalsContact C-CD 3.43Å; A365-P367 WeakPolarHBondContact O-CD 3.41Å
366	M	78.9	Confident	78.2	Confident	81 Å²	81	75.4 Å²	75.4	40%	0.399	39%	0.387	S	S	.	.			trans	-110.8	82.2	168.9	-64.5	-179	-78.3	0	0	108.2	D364 Y368 R376 Y377 K378	D364-M366 PolarHBondContact O-N 3.35Å; M366-Y368 PolarHBondContact O-N 2.92Å; M366-R376 HydrophobicContact CB-CB 3.41Å; M366-R376 VanDerWaalsContact CB-CB 3.41Å; M366-R376 HydrophobicContact CE-CB 4.21Å; M366-R376 HydrophobicContact CG-CB 4.28Å; M366-R376 PolarHBondContact O-NE 3.45Å; M366-R376 PolarHBondContact O-NH2 2.9Å; M366-R376 VanDerWaalsContact O-NH2 3.08Å; M366-R376 HydrophobicContact SD-CB 3.95Å; M366-R376 VanDerWaalsContact SD-O 3.33Å; M366-Y377 CarbonylContact C-O 3.51Å; M366-Y377 WeakPolarHBondContact CA-O 3.31Å; M366-K378 HydrophobicContact CG-CG 4.14Å
367	P	80.4	Confident	78.3	Confident	70 Å²	70	73.4 Å²	73.4	46%	0.455	38%	0.376	S	S	.	.			trans	-64.9	-25.3	-173.4	22.6	-31.4	0	0	0	112.8	A365 A369	A365-P367 VanDerWaalsContact C-CD 3.43Å; A365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-A369 PolarHBondContact O-N 2.86Å
368	Y	80.3	Confident	78.2	Confident	68 Å²	68	69.4 Å²	69.4	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	96.8	-174.7	-57.1	-75.5	0	0	0	111.2	M366 R376 Y377 K378 K380	M366-Y368 PolarHBondContact O-N 2.92Å; Y368-R376 CarbonylContact O-C 3.55Å; Y368-R376 WeakPolarHBondContact O-CA 3.49Å; Y368-Y377 WeakPolarHBondContact CB-O 3.15Å; Y368-Y377 PolarHBondContact N-O 3.19Å; Y368-Y377 VanDerWaalsContact N-O 3.09Å; Y368-Y377 PolarHBondContact O-N 3.46Å; Y368-K378 WeakPolarHBondContact CE2-O 3.23Å; Y368-K380 HydrophobicContact CD1-CB 4.16Å; Y368-K380 HydrophobicContact CE1-CB 3.83Å; Y368-K380 HydrophobicContact CE1-CG 4.38Å; Y368-K380 HydrophobicContact CE2-CB 4.41Å
369	A	82.2	Confident	78.3	Confident	41 Å²	41	73 Å²	73	34%	0.339	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.9	175.3	0	0	0	0	0	111.5	P367 R376	P367-A369 PolarHBondContact O-N 2.86Å; A369-R376 HydrophobicContact CB-CG 4.13Å
370	C	80.8	Confident	78.3	Confident	11 Å²	11	74.1 Å²	74.1	7%	0.074	38%	0.38	C	S	.	.			trans	-68.9	137.6	166.9	-177.2	0	0	0	0	110.5	L372 C373 Q375 L383 H386 M387 H390	C370-L372 VanDerWaalsContact C-N 3.32Å; C370-L372 PolarHBondContact SG-N 3.21Å; C370-C373 WeakPolarHBondContact CB-O 3.48Å; C370-C373 PolarHBondContact SG-N 3.08Å; C370-Q375 WeakPolarHBondContact CB-O 3.34Å; C370-Q375 PolarHBondContact N-O 2.64Å; C370-L383 HydrophobicContact CB-CD1 4.02Å; C370-H386 VanDerWaalsContact CB-NE2 3.29Å; C370-H386 WeakPolarHBondContact CB-NE2 3.22Å; C370-H386 VanDerWaalsContact SG-CD2 3.53Å; C370-H386 PolarHBondContact SG-NE2 3.09Å; C370-M387 VanDerWaalsContact SG-SD 3.69Å; C370-H390 VanDerWaalsContact SG-CD2 3.5Å; C370-H390 PolarHBondContact SG-NE2 2.98Å
371	K	77.4	Confident	78.4	Confident	163 Å²	163	76.6 Å²	76.6	71%	0.709	39%	0.39	S	S	*	.	S	Bend	trans	-78.6	-17.9	175.5	-65.9	-174.6	179	-179.2	0	113.1
372	L	69.1	Low	78.6	Confident	44 Å²	44	77.8 Å²	77.8	23%	0.23	39%	0.391	C	S	.	.	S	Bend	trans	-106.8	-15.9	-172.6	-60.8	174.4	0	0	0	112.8	C370 M387 H390 V404 Y406	C370-L372 VanDerWaalsContact C-N 3.32Å; C370-L372 PolarHBondContact SG-N 3.21Å; L372-M387 HydrophobicContact CD1-CE 3.8Å; L372-M387 HydrophobicContact CG-CE 4.33Å; L372-H390 HydrophobicContact CD1-CB 3.42Å; L372-H390 VanDerWaalsContact CD1-CB 3.42Å; L372-H390 VanDerWaalsContact CD1-CG 3.44Å; L372-V404 HydrophobicContact CD2-CB 4.31Å; L372-V404 HydrophobicContact CD2-CG1 4.01Å; L372-Y406 WeakPolarHBondContact O-CD1 3.28Å
373	C	76	Confident	78.8	Confident	16 Å²	16	75.2 Å²	75.2	11%	0.108	38%	0.38	C	S	.	.	S	Bend	trans	-150	167.6	177.9	84.8	0	0	0	0	111.4	C370 Q375 H386 Y406	C370-C373 WeakPolarHBondContact CB-O 3.48Å; C370-C373 PolarHBondContact SG-N 3.08Å; C373-Q375 PolarHBondContact O-N 3.11Å; C373-Q375 VanDerWaalsContact O-N 3.1Å; C373-Q375 VanDerWaalsContact SG-CB 3.51Å; C373-Q375 WeakPolarHBondContact SG-CG 3.26Å; C373-Q375 PolarHBondContact SG-N 3.32Å; C373-H386 PolarHBondContact SG-CE1 2.89Å; C373-H386 PolarHBondContact SG-NE2 3.13Å; C373-Y406 HydrophobicContact CB-CD1 3.9Å; C373-Y406 HydrophobicContact CB-CE1 3.52Å
374	P	79.4	Confident	79	Confident	97 Å²	97	77.6 Å²	77.6	63%	0.63	39%	0.386	S	S	*	.	S	Bend	trans	-74.6	3.4	-175.7	31.5	-35.2	0	0	0	114.1
375	Q	78.1	Confident	79.3	Confident	104 Å²	104	77.5 Å²	77.5	49%	0.486	38%	0.379	S	S	.	.			trans	-69.7	139.9	-178.2	-66.1	-63.3	-25.8	0	0	111.4	C370 C373 Y377	C370-Q375 WeakPolarHBondContact CB-O 3.34Å; C370-Q375 PolarHBondContact N-O 2.64Å; C373-Q375 PolarHBondContact O-N 3.11Å; C373-Q375 VanDerWaalsContact O-N 3.1Å; C373-Q375 VanDerWaalsContact SG-CB 3.51Å; C373-Q375 WeakPolarHBondContact SG-CG 3.26Å; C373-Q375 PolarHBondContact SG-N 3.32Å; Q375-Y377 HydrophobicContact CB-CE2 3.74Å
376	R	84.4	Confident	79.7	Confident	127 Å²	127	76 Å²	76	48%	0.479	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.5	177	-52.8	-178.9	68.3	139.9	3.1	109	M366 Y368 A369	M366-R376 HydrophobicContact CB-CB 3.41Å; M366-R376 VanDerWaalsContact CB-CB 3.41Å; M366-R376 HydrophobicContact CE-CB 4.21Å; M366-R376 HydrophobicContact CG-CB 4.28Å; M366-R376 PolarHBondContact O-NE 3.45Å; M366-R376 PolarHBondContact O-NH2 2.9Å; M366-R376 VanDerWaalsContact O-NH2 3.08Å; M366-R376 HydrophobicContact SD-CB 3.95Å; M366-R376 VanDerWaalsContact SD-O 3.33Å; Y368-R376 CarbonylContact O-C 3.55Å; Y368-R376 WeakPolarHBondContact O-CA 3.49Å; A369-R376 HydrophobicContact CB-CG 4.13Å
377	Y	81.3	Confident	79.5	Confident	47 Å²	47	75.5 Å²	75.5	18%	0.184	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.5	-173.4	-62.2	-83.5	0	0	0	110.3	M366 Y368 Q375 W379 N382 L383 H386	M366-Y377 CarbonylContact C-O 3.51Å; M366-Y377 WeakPolarHBondContact CA-O 3.31Å; Y368-Y377 WeakPolarHBondContact CB-O 3.15Å; Y368-Y377 PolarHBondContact N-O 3.19Å; Y368-Y377 VanDerWaalsContact N-O 3.09Å; Y368-Y377 PolarHBondContact O-N 3.46Å; Q375-Y377 HydrophobicContact CB-CE2 3.74Å; Y377-W379 VanDerWaalsContact C-N 3.33Å; Y377-N382 HydrophobicContact CD1-CB 3.7Å; Y377-N382 HydrophobicContact CG-CB 4.14Å; Y377-L383 HydrophobicContact CD2-CB 4.04Å; Y377-L383 HydrophobicContact CD2-CD1 3.92Å; Y377-L383 HydrophobicContact CE2-CD1 4.28Å; Y377-L383 HydrophobicContact CG-CB 4.37Å; Y377-H386 HydrophobicContact CD2-CB 4.39Å; Y377-H386 HydrophobicContact CE1-CB 4.09Å; Y377-H386 HydrophobicContact CE2-CB 3.55Å; Y377-H386 AromaticContact CE2-CD2 3.43Å; Y377-H386 VanDerWaalsContact CE2-CD2 3.43Å; Y377-H386 WeakPolarHBondContact CE2-CD2 3.45Å; Y377-H386 AromaticContact CE2-CG 3.4Å; Y377-H386 VanDerWaalsContact CE2-CG 3.4Å; Y377-H386 AromaticContact CZ-CD2 3.89Å; Y377-H386 AromaticContact CZ-CG 3.38Å; Y377-H386 AromaticContact CZ-ND1 3.78Å; Y377-H386 WeakPolarHBondContact OH-CB 3.48Å; Y377-H386 PolarHBondContact OH-CE1 3.18Å; Y377-H386 PolarHBondContact OH-ND1 3.5Å
378	K	77.9	Confident	79.1	Confident	52 Å²	52	76.9 Å²	76.9	23%	0.226	37%	0.368	C	S	.	.	S	Bend	trans	-74.2	-24.5	174.1	-65.2	-160.6	-177.2	-159	0	112.9	I360 A361 T363 M366 Y368	I360-K378 HydrophobicContact CG2-CB 4.47Å; I360-K378 PolarHBondContact O-NZ 3.3Å; A361-K378 PolarHBondContact O-NZ 2.8Å; T363-K378 PolarHBondContact O-NZ 3.12Å; M366-K378 HydrophobicContact CG-CG 4.14Å; Y368-K378 WeakPolarHBondContact CE2-O 3.23Å
379	W	81.5	Confident	78.6	Confident	97 Å²	97	77 Å²	77	37%	0.367	38%	0.376	S	S	.	.	S	Bend	trans	-132.7	149.4	-175.8	-55.4	-57	0	0	0	112.5	Y377 E381 N382 L383	Y377-W379 VanDerWaalsContact C-N 3.33Å; W379-E381 WeakPolarHBondContact CB-OE2 3.41Å; W379-N382 PolarHBondContact O-N 3.11Å; W379-L383 PolarHBondContact O-N 2.82Å
380	K	80.2	Confident	77.9	Confident	105 Å²	105	75.4 Å²	75.4	46%	0.457	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-37.7	-176.9	-176.3	179.4	177.3	-179.2	0	111.8	Y368 N382 L383 Q384	Y368-K380 HydrophobicContact CD1-CB 4.16Å; Y368-K380 HydrophobicContact CE1-CB 3.83Å; Y368-K380 HydrophobicContact CE1-CG 4.38Å; Y368-K380 HydrophobicContact CE2-CB 4.41Å; K380-N382 VanDerWaalsContact C-N 3.28Å; K380-N382 PolarHBondContact O-N 3.26Å; K380-L383 CarbonylContact O-C 3.22Å; K380-L383 WeakPolarHBondContact O-CB 3.2Å; K380-L383 PolarHBondContact O-N 2.73Å; K380-Q384 PolarHBondContact O-N 3.36Å
381	E	79.9	Confident	76.8	Confident	110 Å²	110	78.4 Å²	78.4	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-37.6	179.3	-56.8	83.9	174	0	0	110.9	W379 Q384 K385	W379-E381 WeakPolarHBondContact CB-OE2 3.41Å; E381-Q384 PolarHBondContact O-N 3.47Å; E381-K385 WeakPolarHBondContact O-CB 3.47Å; E381-K385 WeakPolarHBondContact O-CG 3.47Å; E381-K385 PolarHBondContact O-N 3.36Å
382	N	82.5	Confident	75.4	Confident	63 Å²	63	75.4 Å²	75.4	34%	0.337	39%	0.394	S	S	.	.	H	α-helix	trans	-69.3	-38.8	175.3	-72	5.3	0	0	0	111.5	Y377 W379 K380 H386	Y377-N382 HydrophobicContact CD1-CB 3.7Å; Y377-N382 HydrophobicContact CG-CB 4.14Å; W379-N382 PolarHBondContact O-N 3.11Å; K380-N382 VanDerWaalsContact C-N 3.28Å; K380-N382 PolarHBondContact O-N 3.26Å; N382-H386 VanDerWaalsContact O-CB 3.25Å; N382-H386 WeakPolarHBondContact O-CB 3.43Å; N382-H386 PolarHBondContact O-N 2.91Å
383	L	84.4	Confident	74.3	Confident	16 Å²	16	80.5 Å²	80.5	8%	0.084	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-44	170.6	174.4	63.7	0	0	0	110.7	C370 Y377 W379 K380 H386 M387	C370-L383 HydrophobicContact CB-CD1 4.02Å; Y377-L383 HydrophobicContact CD2-CB 4.04Å; Y377-L383 HydrophobicContact CD2-CD1 3.92Å; Y377-L383 HydrophobicContact CE2-CD1 4.28Å; Y377-L383 HydrophobicContact CG-CB 4.37Å; W379-L383 PolarHBondContact O-N 2.82Å; K380-L383 CarbonylContact O-C 3.22Å; K380-L383 WeakPolarHBondContact O-CB 3.2Å; K380-L383 PolarHBondContact O-N 2.73Å; L383-H386 CarbonylContact O-C 3.53Å; L383-H386 WeakPolarHBondContact O-CA 3.24Å; L383-H386 WeakPolarHBondContact O-CB 3.5Å; L383-H386 PolarHBondContact O-N 3.06Å; L383-H386 VanDerWaalsContact O-N 3.12Å; L383-M387 HydrophobicContact CD1-CG 4.2Å; L383-M387 HydrophobicContact CD1-SD 4.24Å; L383-M387 HydrophobicContact CG-CG 4.34Å; L383-M387 VanDerWaalsContact O-CG 3.27Å; L383-M387 WeakPolarHBondContact O-CG 3.46Å; L383-M387 PolarHBondContact O-N 3.02Å
384	Q	77.8	Confident	72.9	Confident	115 Å²	115	83.1 Å²	83.1	54%	0.537	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-45.8	178.4	-76.6	-174.2	-30	0	0	112.4	K380 E381 H386 M387 T388	K380-Q384 PolarHBondContact O-N 3.36Å; E381-Q384 PolarHBondContact O-N 3.47Å; Q384-H386 PolarHBondContact O-N 3.42Å; Q384-M387 WeakPolarHBondContact O-CB 3.5Å; Q384-M387 PolarHBondContact O-N 3.1Å; Q384-M387 VanDerWaalsContact O-N 3.1Å; Q384-T388 PolarHBondContact O-N 3.22Å
385	K	79.6	Confident	72.2	Confident	150 Å²	150	83.1 Å²	83.1	65%	0.652	43%	0.427	S	S	*	.	H	α-helix	trans	-61.5	-32	171.8	-73.2	-177.5	177.9	-171.7	0	112.6	E381 T388	E381-K385 WeakPolarHBondContact O-CB 3.47Å; E381-K385 WeakPolarHBondContact O-CG 3.47Å; E381-K385 PolarHBondContact O-N 3.36Å; K385-T388 PolarHBondContact O-OG1 3.4Å
386	H	82.5	Confident	71.4	Confident	19 Å²	19	81.3 Å²	81.3	9%	0.088	42%	0.418	C	S	.	.	H	α-helix	trans	-72.3	-38.3	172.1	168.7	68.2	0	0	0	112	C370 C373 Y377 N382 L383 Q384 T388 T389 H390	C370-H386 VanDerWaalsContact CB-NE2 3.29Å; C370-H386 WeakPolarHBondContact CB-NE2 3.22Å; C370-H386 VanDerWaalsContact SG-CD2 3.53Å; C370-H386 PolarHBondContact SG-NE2 3.09Å; C373-H386 PolarHBondContact SG-CE1 2.89Å; C373-H386 PolarHBondContact SG-NE2 3.13Å; Y377-H386 HydrophobicContact CD2-CB 4.39Å; Y377-H386 HydrophobicContact CE1-CB 4.09Å; Y377-H386 HydrophobicContact CE2-CB 3.55Å; Y377-H386 AromaticContact CE2-CD2 3.43Å; Y377-H386 VanDerWaalsContact CE2-CD2 3.43Å; Y377-H386 WeakPolarHBondContact CE2-CD2 3.45Å; Y377-H386 AromaticContact CE2-CG 3.4Å; Y377-H386 VanDerWaalsContact CE2-CG 3.4Å; Y377-H386 AromaticContact CZ-CD2 3.89Å; Y377-H386 AromaticContact CZ-CG 3.38Å; Y377-H386 AromaticContact CZ-ND1 3.78Å; Y377-H386 WeakPolarHBondContact OH-CB 3.48Å; Y377-H386 PolarHBondContact OH-CE1 3.18Å; Y377-H386 PolarHBondContact OH-ND1 3.5Å; N382-H386 VanDerWaalsContact O-CB 3.25Å; N382-H386 WeakPolarHBondContact O-CB 3.43Å; N382-H386 PolarHBondContact O-N 2.91Å; L383-H386 CarbonylContact O-C 3.53Å; L383-H386 WeakPolarHBondContact O-CA 3.24Å; L383-H386 WeakPolarHBondContact O-CB 3.5Å; L383-H386 PolarHBondContact O-N 3.06Å; L383-H386 VanDerWaalsContact O-N 3.12Å; Q384-H386 PolarHBondContact O-N 3.42Å; H386-T388 PolarHBondContact O-N 3.08Å; H386-T388 VanDerWaalsContact O-N 3.17Å; H386-T389 WeakPolarHBondContact O-CB 3.17Å; H386-T389 PolarHBondContact O-N 2.88Å; H386-T389 PolarHBondContact O-OG1 3.45Å; H386-H390 AromaticContact CD2-NE2 3.94Å; H386-H390 AromaticContact CE1-NE2 3.43Å; H386-H390 PolarHBondContact CE1-NE2 2.72Å; H386-H390 AromaticContact NE2-CD2 3.62Å; H386-H390 AromaticContact NE2-NE2 3.04Å; H386-H390 PolarHBondContact NE2-NE2 3.31Å
387	M	72.9	Confident	70.6	Confident	71 Å²	71	81.7 Å²	81.7	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-26.7	177.7	-69.8	-57.5	-62.6	0	0	112.1	C370 L372 L383 Q384 T389 H390 G391	C370-M387 VanDerWaalsContact SG-SD 3.69Å; L372-M387 HydrophobicContact CD1-CE 3.8Å; L372-M387 HydrophobicContact CG-CE 4.33Å; L383-M387 HydrophobicContact CD1-CG 4.2Å; L383-M387 HydrophobicContact CD1-SD 4.24Å; L383-M387 HydrophobicContact CG-CG 4.34Å; L383-M387 VanDerWaalsContact O-CG 3.27Å; L383-M387 WeakPolarHBondContact O-CG 3.46Å; L383-M387 PolarHBondContact O-N 3.02Å; Q384-M387 WeakPolarHBondContact O-CB 3.5Å; Q384-M387 PolarHBondContact O-N 3.1Å; Q384-M387 VanDerWaalsContact O-N 3.1Å; M387-T389 VanDerWaalsContact C-N 3.26Å; M387-T389 PolarHBondContact O-N 2.76Å; M387-H390 WeakPolarHBondContact O-CB 3.4Å; M387-H390 PolarHBondContact O-N 3.11Å; M387-H390 VanDerWaalsContact O-N 3.15Å; M387-G391 PolarHBondContact O-N 3.27Å
388	T	73	Confident	70.1	Confident	98 Å²	98	79.5 Å²	79.5	60%	0.601	42%	0.415	S	S	*	.	H	α-helix	trans	-68.3	-25.2	172.7	62.6	0	0	0	0	112.8	Q384 K385 H386 H390 G391	Q384-T388 PolarHBondContact O-N 3.22Å; K385-T388 PolarHBondContact O-OG1 3.4Å; H386-T388 PolarHBondContact O-N 3.08Å; H386-T388 VanDerWaalsContact O-N 3.17Å; T388-H390 PolarHBondContact O-N 2.72Å; T388-G391 PolarHBondContact O-N 3.17Å; T388-G391 VanDerWaalsContact O-N 3.16Å
389	T	69.6	Low	69.6	Low	71 Å²	71	81.4 Å²	81.4	44%	0.436	43%	0.432	S	S	.	.	H	α-helix	trans	-72.6	-17.4	173.4	78.8	0	0	0	0	112.7	H386 M387	H386-T389 WeakPolarHBondContact O-CB 3.17Å; H386-T389 PolarHBondContact O-N 2.88Å; H386-T389 PolarHBondContact O-OG1 3.45Å; M387-T389 VanDerWaalsContact C-N 3.26Å; M387-T389 PolarHBondContact O-N 2.76Å
390	H	67.6	Low	69.2	Low	7 Å²	7	82.2 Å²	82.2	3%	0.032	44%	0.444	C	S	.	.	H	α-helix	trans	-83.3	-33.9	167.3	-69.6	-57.3	0	0	0	112.5	C370 L372 H386 M387 T388 S392 R393 Y406	C370-H390 VanDerWaalsContact SG-CD2 3.5Å; C370-H390 PolarHBondContact SG-NE2 2.98Å; L372-H390 HydrophobicContact CD1-CB 3.42Å; L372-H390 VanDerWaalsContact CD1-CB 3.42Å; L372-H390 VanDerWaalsContact CD1-CG 3.44Å; H386-H390 AromaticContact CD2-NE2 3.94Å; H386-H390 AromaticContact CE1-NE2 3.43Å; H386-H390 PolarHBondContact CE1-NE2 2.72Å; H386-H390 AromaticContact NE2-CD2 3.62Å; H386-H390 AromaticContact NE2-NE2 3.04Å; H386-H390 PolarHBondContact NE2-NE2 3.31Å; M387-H390 WeakPolarHBondContact O-CB 3.4Å; M387-H390 PolarHBondContact O-N 3.11Å; M387-H390 VanDerWaalsContact O-N 3.15Å; T388-H390 PolarHBondContact O-N 2.72Å; H390-S392 PolarHBondContact O-N 3.07Å; H390-R393 PolarHBondContact O-N 2.75Å; H390-Y406 AromaticContact CE1-CD1 3.73Å; H390-Y406 AromaticContact CE1-CG 3.7Å; H390-Y406 WeakPolarHBondContact ND1-CB 3.16Å; H390-Y406 AromaticContact ND1-CG 3.77Å
391	G	56.6	Low	69.1	Low	74 Å²	74	80 Å²	80	76%	0.763	44%	0.441	S	S	*	.	H	α-helix	trans	-66.9	-13.4	-177.5	0	0	0	0	0	115.5	M387 T388	M387-G391 PolarHBondContact O-N 3.27Å; T388-G391 PolarHBondContact O-N 3.17Å; T388-G391 VanDerWaalsContact O-N 3.16Å
392	S	49.9	Very low	68.5	Low	101 Å²	101	80.6 Å²	80.6	71%	0.706	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-3.7	178.1	55.7	0	0	0	0	114.5	H390	H390-S392 PolarHBondContact O-N 3.07Å
393	R	45.3	Very low	67.8	Low	151 Å²	151	83.1 Å²	83.1	57%	0.57	46%	0.457	S	S	*	.	S	Bend	trans	-116.6	122.2	177.2	-75.8	177.7	155.4	153	-7.1	108.7	H390 N395 Y406	H390-R393 PolarHBondContact O-N 2.75Å; R393-N395 PolarHBondContact O-N 3.1Å; R393-N395 VanDerWaalsContact O-N 3.16Å; R393-Y406 WeakPolarHBondContact CB-O 3.49Å; R393-Y406 WeakPolarHBondContact CD-O 3.34Å
394	A	47.1	Very low	67	Low	71 Å²	71	84.6 Å²	84.6	59%	0.587	47%	0.467	S	S	*	.			trans	-44.3	126.2	175.7	0	0	0	0	0	110	F396	A394-F396 HydrophobicContact CB-CE2 4.5Å; A394-F396 HydrophobicContact CB-CZ 4.31Å; A394-F396 WeakPolarHBondContact O-CD2 3.39Å; A394-F396 WeakPolarHBondContact O-CE2 3.49Å; A394-F396 PolarHBondContact O-N 3.21Å
395	N	64.8	Low	66.4	Low	97 Å²	97	80.4 Å²	80.4	52%	0.519	45%	0.447	S	S	.	.			trans	-63.8	104.7	176.3	-76.1	-49.1	0	0	0	108.5	R393 K397 V404	R393-N395 PolarHBondContact O-N 3.1Å; R393-N395 VanDerWaalsContact O-N 3.16Å; N395-K397 PolarHBondContact O-N 2.92Å; N395-V404 HydrophobicContact CB-CG1 3.75Å
396	F	61	Low	65.6	Low	65 Å²	65	76 Å²	76	29%	0.285	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.9	177.6	-59.9	-82.2	0	0	0	108.6	A394 F405 Q408 V411	A394-F396 HydrophobicContact CB-CE2 4.5Å; A394-F396 HydrophobicContact CB-CZ 4.31Å; A394-F396 WeakPolarHBondContact O-CD2 3.39Å; A394-F396 WeakPolarHBondContact O-CE2 3.49Å; A394-F396 PolarHBondContact O-N 3.21Å; F396-F405 PolarHBondContact N-O 3.35Å; F396-F405 PolarHBondContact O-N 2.97Å; F396-Q408 HydrophobicContact CD1-CB 3.97Å; F396-Q408 HydrophobicContact CD1-CG 4.49Å; F396-Q408 HydrophobicContact CD2-CB 4.34Å; F396-Q408 HydrophobicContact CE1-CB 3.79Å; F396-Q408 HydrophobicContact CE1-CG 4.44Å; F396-Q408 HydrophobicContact CE2-CB 4.19Å; F396-Q408 VanDerWaalsContact CE2-N 3.33Å; F396-Q408 HydrophobicContact CG-CB 4.22Å; F396-Q408 HydrophobicContact CZ-CB 3.91Å; F396-V411 HydrophobicContact CB-CG2 3.37Å; F396-V411 HydrophobicContact CG-CG2 4.47Å
397	K	66.9	Low	64.9	Low	135 Å²	135	76.2 Å²	76.2	59%	0.587	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.7	178.1	-69.9	-179.9	-179.2	177.3	0	109.3	N395 P399 Q403 V404	N395-K397 PolarHBondContact O-N 2.92Å; K397-P399 WeakPolarHBondContact O-CD 3.18Å; K397-Q403 WeakPolarHBondContact CA-O 3.01Å; K397-V404 HydrophobicContact CG-CG2 4.21Å
398	C	71.3	Confident	64.8	Low	1 Å²	1	76.9 Å²	76.9	1%	0.007	43%	0.433	C	S	.	.			trans	-66.1	125.4	164.9	173.5	0	0	0	0	109	D400 C401 N402 Q403 F405 H414	C398-D400 PolarHBondContact O-N 2.81Å; C398-D400 PolarHBondContact SG-N 3.07Å; C398-D400 VanDerWaalsContact SG-N 3.43Å; C398-C401 VanDerWaalsContact SG-SG 3.63Å; C398-N402 WeakPolarHBondContact O-CA 3.44Å; C398-N402 PolarHBondContact O-N 3.45Å; C398-Q403 PolarHBondContact N-O 3.16Å; C398-F405 HydrophobicContact CB-CE2 3.83Å; C398-H414 PolarHBondContact SG-CD2 3.47Å; C398-H414 PolarHBondContact SG-NE2 3.36Å
399	P	68.2	Low	65	Low	92 Å²	92	76.5 Å²	76.5	60%	0.597	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.8	-178.3	25.4	-32.5	0	0	0	113.4	K397 Y415	K397-P399 WeakPolarHBondContact O-CD 3.18Å; P399-Y415 HydrophobicContact CG-CE2 3.88Å
400	D	72.6	Confident	65.1	Low	115 Å²	115	77.4 Å²	77.4	62%	0.615	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-25.7	-174.3	-64.5	-34.5	0	0	0	114.2	C398 Y415	C398-D400 PolarHBondContact O-N 2.81Å; C398-D400 PolarHBondContact SG-N 3.07Å; C398-D400 VanDerWaalsContact SG-N 3.43Å; D400-Y415 WeakPolarHBondContact OD2-CE2 3.44Å; D400-Y415 PolarHBondContact OD2-OH 2.99Å
401	C	78	Confident	65.4	Low	57 Å²	57	77.4 Å²	77.4	39%	0.385	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	1	-176.5	74.2	0	0	0	0	114.8	C398 Q403 H414	C398-C401 VanDerWaalsContact SG-SG 3.63Å; C401-Q403 HydrophobicContact CB-CG 4.49Å; C401-Q403 PolarHBondContact O-N 3.41Å; C401-Q403 VanDerWaalsContact SG-CB 3.5Å; C401-Q403 WeakPolarHBondContact SG-CG 3.24Å; C401-H414 PolarHBondContact SG-CE1 2.79Å; C401-H414 PolarHBondContact SG-NE2 3.04Å
402	N	66.9	Low	66.3	Low	124 Å²	124	77.3 Å²	77.3	66%	0.663	41%	0.408	S	S	*	.			trans	55.9	15.7	-178.5	-70.7	-39.8	0	0	0	115.2	C398	C398-N402 WeakPolarHBondContact O-CA 3.44Å; C398-N402 PolarHBondContact O-N 3.45Å
403	Q	69	Low	67.7	Low	116 Å²	116	77.5 Å²	77.5	54%	0.542	40%	0.4	S	S	.	.			trans	-65.6	135.5	170.4	-74.8	-84.6	-15.6	0	0	109.6	K397 C398 C401 F405	K397-Q403 WeakPolarHBondContact CA-O 3.01Å; C398-Q403 PolarHBondContact N-O 3.16Å; C401-Q403 HydrophobicContact CB-CG 4.49Å; C401-Q403 PolarHBondContact O-N 3.41Å; C401-Q403 VanDerWaalsContact SG-CB 3.5Å; C401-Q403 WeakPolarHBondContact SG-CG 3.24Å; Q403-F405 HydrophobicContact CB-CD2 4.31Å; Q403-F405 HydrophobicContact CB-CE2 3.41Å; Q403-F405 VanDerWaalsContact CB-CE2 3.41Å; Q403-F405 HydrophobicContact CB-CZ 3.64Å; Q403-F405 VanDerWaalsContact O-CD2 3.28Å; Q403-F405 WeakPolarHBondContact O-CD2 3.26Å; Q403-F405 WeakPolarHBondContact O-CE2 3.35Å
404	V	67.2	Low	69.2	Low	47 Å²	47	72.2 Å²	72.2	29%	0.285	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.5	-179	-177.7	0	0	0	0	109.1	L372 N395 K397	L372-V404 HydrophobicContact CD2-CB 4.31Å; L372-V404 HydrophobicContact CD2-CG1 4.01Å; N395-V404 HydrophobicContact CB-CG1 3.75Å; K397-V404 HydrophobicContact CG-CG2 4.21Å
405	F	64.4	Low	70.5	Confident	26 Å²	26	74 Å²	74	11%	0.114	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.2	-179.9	-58.7	-92	0	0	0	110	F396 C398 Q403 S407 R410 V411 H414	F396-F405 PolarHBondContact N-O 3.35Å; F396-F405 PolarHBondContact O-N 2.97Å; C398-F405 HydrophobicContact CB-CE2 3.83Å; Q403-F405 HydrophobicContact CB-CD2 4.31Å; Q403-F405 HydrophobicContact CB-CE2 3.41Å; Q403-F405 VanDerWaalsContact CB-CE2 3.41Å; Q403-F405 HydrophobicContact CB-CZ 3.64Å; Q403-F405 VanDerWaalsContact O-CD2 3.28Å; Q403-F405 WeakPolarHBondContact O-CD2 3.26Å; Q403-F405 WeakPolarHBondContact O-CE2 3.35Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 3.14Å; F405-R410 HydrophobicContact CB-CB 4.18Å; F405-R410 HydrophobicContact CD1-CB 3.8Å; F405-R410 HydrophobicContact CG-CB 4.32Å; F405-V411 HydrophobicContact CB-CG2 3.7Å; F405-V411 HydrophobicContact CD2-CG2 3.58Å; F405-V411 HydrophobicContact CE2-CG2 4.44Å; F405-V411 HydrophobicContact CG-CG2 3.84Å; F405-H414 HydrophobicContact CE1-CB 3.92Å; F405-H414 HydrophobicContact CE2-CB 4.23Å; F405-H414 AromaticContact CE2-CG 3.99Å; F405-H414 HydrophobicContact CZ-CB 3.56Å; F405-H414 AromaticContact CZ-CD2 3.9Å; F405-H414 AromaticContact CZ-CG 3.39Å; F405-H414 AromaticContact CZ-ND1 3.69Å
406	Y	62.7	Low	70.8	Confident	57 Å²	57	76.9 Å²	76.9	22%	0.224	38%	0.382	C	S	.	.	S	Bend	trans	-86.8	3.4	-179.5	66.1	-92.1	0	0	0	113.7	L372 C373 H390 R393 R410	L372-Y406 WeakPolarHBondContact O-CD1 3.28Å; C373-Y406 HydrophobicContact CB-CD1 3.9Å; C373-Y406 HydrophobicContact CB-CE1 3.52Å; H390-Y406 AromaticContact CE1-CD1 3.73Å; H390-Y406 AromaticContact CE1-CG 3.7Å; H390-Y406 WeakPolarHBondContact ND1-CB 3.16Å; H390-Y406 AromaticContact ND1-CG 3.77Å; R393-Y406 WeakPolarHBondContact CB-O 3.49Å; R393-Y406 WeakPolarHBondContact CD-O 3.34Å; Y406-R410 WeakPolarHBondContact OH-CD 3.43Å; Y406-R410 PolarHBondContact OH-NH1 3.19Å
407	S	68	Low	71	Confident	25 Å²	25	77.2 Å²	77.2	18%	0.175	40%	0.397	C	S	.	.	S	Bend	trans	-155.5	138.9	-179.3	150.7	0	0	0	0	109.5	F405 T409 R410 V411	F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 3.14Å; S407-T409 PolarHBondContact O-N 3.47Å; S407-T409 WeakPolarHBondContact OG-CB 3.46Å; S407-T409 PolarHBondContact OG-N 2.95Å; S407-T409 VanDerWaalsContact OG-N 3.17Å; S407-T409 PolarHBondContact OG-OG1 2.87Å; S407-R410 PolarHBondContact O-N 3.16Å; S407-R410 VanDerWaalsContact O-N 3.1Å; S407-V411 PolarHBondContact O-N 3.31Å
408	Q	71.5	Confident	70.8	Confident	84 Å²	84	74.2 Å²	74.2	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-59.4	-36.4	175.4	-175.3	60.3	31.2	0	0	111.5	F396 R410 V411 D412	F396-Q408 HydrophobicContact CD1-CB 3.97Å; F396-Q408 HydrophobicContact CD1-CG 4.49Å; F396-Q408 HydrophobicContact CD2-CB 4.34Å; F396-Q408 HydrophobicContact CE1-CB 3.79Å; F396-Q408 HydrophobicContact CE1-CG 4.44Å; F396-Q408 HydrophobicContact CE2-CB 4.19Å; F396-Q408 VanDerWaalsContact CE2-N 3.33Å; F396-Q408 HydrophobicContact CG-CB 4.22Å; F396-Q408 HydrophobicContact CZ-CB 3.91Å; Q408-R410 PolarHBondContact O-N 2.83Å; Q408-V411 CarbonylContact O-C 3.56Å; Q408-V411 WeakPolarHBondContact O-CA 3.43Å; Q408-V411 WeakPolarHBondContact O-CB 3.48Å; Q408-V411 PolarHBondContact O-N 3.46Å; Q408-D412 PolarHBondContact NE2-OD1 3.35Å; Q408-D412 PolarHBondContact O-N 3.27Å
409	T	76.7	Confident	69.9	Low	90 Å²	90	76.4 Å²	76.4	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-57.8	-35.9	175.9	-36.3	0	0	0	0	112	S407 D412 I413	S407-T409 PolarHBondContact O-N 3.47Å; S407-T409 WeakPolarHBondContact OG-CB 3.46Å; S407-T409 PolarHBondContact OG-N 2.95Å; S407-T409 VanDerWaalsContact OG-N 3.17Å; S407-T409 PolarHBondContact OG-OG1 2.87Å; T409-D412 PolarHBondContact O-N 3.37Å; T409-I413 HydrophobicContact CG2-CD1 4.31Å; T409-I413 WeakPolarHBondContact O-CD1 3.2Å; T409-I413 WeakPolarHBondContact O-CG1 3.46Å; T409-I413 PolarHBondContact O-N 2.94Å
410	R	71.9	Confident	68.8	Low	91 Å²	91	77.4 Å²	77.4	34%	0.343	42%	0.42	S	S	.	.	H	α-helix	trans	-74.6	-31.6	175.9	-66.4	-165.9	72.7	136	5.1	112.4	F405 Y406 S407 Q408 H414	F405-R410 HydrophobicContact CB-CB 4.18Å; F405-R410 HydrophobicContact CD1-CB 3.8Å; F405-R410 HydrophobicContact CG-CB 4.32Å; Y406-R410 WeakPolarHBondContact OH-CD 3.43Å; Y406-R410 PolarHBondContact OH-NH1 3.19Å; S407-R410 PolarHBondContact O-N 3.16Å; S407-R410 VanDerWaalsContact O-N 3.1Å; Q408-R410 PolarHBondContact O-N 2.83Å; R410-H414 WeakPolarHBondContact O-CB 3.19Å; R410-H414 PolarHBondContact O-N 3.49Å
411	V	73.2	Confident	67.2	Low	7 Å²	7	79.4 Å²	79.4	4%	0.042	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-46.7	168.2	-179.9	0	0	0	0	109.9	F396 F405 S407 Q408 I413 H414 Y415	F396-V411 HydrophobicContact CB-CG2 3.37Å; F396-V411 HydrophobicContact CG-CG2 4.47Å; F405-V411 HydrophobicContact CB-CG2 3.7Å; F405-V411 HydrophobicContact CD2-CG2 3.58Å; F405-V411 HydrophobicContact CE2-CG2 4.44Å; F405-V411 HydrophobicContact CG-CG2 3.84Å; S407-V411 PolarHBondContact O-N 3.31Å; Q408-V411 CarbonylContact O-C 3.56Å; Q408-V411 WeakPolarHBondContact O-CA 3.43Å; Q408-V411 WeakPolarHBondContact O-CB 3.48Å; Q408-V411 PolarHBondContact O-N 3.46Å; V411-I413 PolarHBondContact O-N 2.74Å; V411-H414 CarbonylContact O-C 3.4Å; V411-H414 WeakPolarHBondContact O-CB 3.49Å; V411-H414 PolarHBondContact O-N 3.08Å; V411-Y415 WeakPolarHBondContact O-CB 3.17Å; V411-Y415 PolarHBondContact O-N 3.15Å
412	D	76.4	Confident	65.3	Low	71 Å²	71	83.8 Å²	83.8	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-40.3	-179.2	-66.2	-12.9	0	0	0	112.2	Q408 T409 Y415 K416	Q408-D412 PolarHBondContact NE2-OD1 3.35Å; Q408-D412 PolarHBondContact O-N 3.27Å; T409-D412 PolarHBondContact O-N 3.37Å; D412-Y415 PolarHBondContact O-N 2.86Å; D412-K416 WeakPolarHBondContact O-CB 3Å; D412-K416 VanDerWaalsContact O-CG 3.24Å; D412-K416 WeakPolarHBondContact O-CG 3.47Å; D412-K416 PolarHBondContact O-N 3.02Å
413	I	78.6	Confident	63.6	Low	105 Å²	105	87.6 Å²	87.6	54%	0.538	46%	0.46	S	S	.	.	H	α-helix	trans	-64.2	-44.3	173.6	-68.2	163.2	0	0	0	110.3	T409 V411 Y415 K416 A417	T409-I413 HydrophobicContact CG2-CD1 4.31Å; T409-I413 WeakPolarHBondContact O-CD1 3.2Å; T409-I413 WeakPolarHBondContact O-CG1 3.46Å; T409-I413 PolarHBondContact O-N 2.94Å; V411-I413 PolarHBondContact O-N 2.74Å; I413-Y415 VanDerWaalsContact C-N 3.34Å; I413-K416 PolarHBondContact O-N 3.09Å; I413-A417 VanDerWaalsContact O-CB 3.28Å; I413-A417 WeakPolarHBondContact O-CB 3.49Å; I413-A417 PolarHBondContact O-N 2.91Å
414	H	77.8	Confident	61.9	Low	40 Å²	40	88.8 Å²	88.8	19%	0.185	48%	0.475	C	S	.	.	H	α-helix	trans	-60.7	-44	174.9	169.4	78.5	0	0	0	111.3	C398 C401 F405 R410 V411 A417 S418	C398-H414 PolarHBondContact SG-CD2 3.47Å; C398-H414 PolarHBondContact SG-NE2 3.36Å; C401-H414 PolarHBondContact SG-CE1 2.79Å; C401-H414 PolarHBondContact SG-NE2 3.04Å; F405-H414 HydrophobicContact CE1-CB 3.92Å; F405-H414 HydrophobicContact CE2-CB 4.23Å; F405-H414 AromaticContact CE2-CG 3.99Å; F405-H414 HydrophobicContact CZ-CB 3.56Å; F405-H414 AromaticContact CZ-CD2 3.9Å; F405-H414 AromaticContact CZ-CG 3.39Å; F405-H414 AromaticContact CZ-ND1 3.69Å; R410-H414 WeakPolarHBondContact O-CB 3.19Å; R410-H414 PolarHBondContact O-N 3.49Å; V411-H414 CarbonylContact O-C 3.4Å; V411-H414 WeakPolarHBondContact O-CB 3.49Å; V411-H414 PolarHBondContact O-N 3.08Å; H414-A417 PolarHBondContact O-N 2.95Å; H414-S418 PolarHBondContact CE1-OG 3.46Å; H414-S418 VanDerWaalsContact O-CB 3.3Å; H414-S418 WeakPolarHBondContact O-CB 3.27Å; H414-S418 PolarHBondContact O-N 3.41Å; H414-S418 PolarHBondContact O-OG 3.39Å
415	Y	73.7	Confident	60.5	Low	109 Å²	109	98.9 Å²	98.9	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-42.6	178.9	-145.5	-97.2	0	0	0	111.5	P399 D400 V411 D412 I413 S418 G419	P399-Y415 HydrophobicContact CG-CE2 3.88Å; D400-Y415 WeakPolarHBondContact OD2-CE2 3.44Å; D400-Y415 PolarHBondContact OD2-OH 2.99Å; V411-Y415 WeakPolarHBondContact O-CB 3.17Å; V411-Y415 PolarHBondContact O-N 3.15Å; D412-Y415 PolarHBondContact O-N 2.86Å; I413-Y415 VanDerWaalsContact C-N 3.34Å; Y415-S418 PolarHBondContact O-N 2.73Å; Y415-G419 WeakPolarHBondContact O-CA 3.49Å; Y415-G419 PolarHBondContact O-N 2.77Å
416	K	71	Confident	60.3	Low	158 Å²	158	102.5 Å²	102.5	69%	0.687	54%	0.539	S	S	*	.	H	α-helix	trans	-65.5	-40.2	174.6	-74.2	171.9	-177.8	175.1	0	112.1	D412 I413 T420	D412-K416 WeakPolarHBondContact O-CB 3Å; D412-K416 VanDerWaalsContact O-CG 3.24Å; D412-K416 WeakPolarHBondContact O-CG 3.47Å; D412-K416 PolarHBondContact O-N 3.02Å; I413-K416 PolarHBondContact O-N 3.09Å; K416-T420 PolarHBondContact O-OG1 2.94Å
417	A	65.2	Low	60.2	Low	72 Å²	72	104.9 Å²	104.9	60%	0.595	56%	0.555	S	S	*	*	H	α-helix	trans	-69.1	-37.3	176.8	0	0	0	0	0	112.2	I413 H414	I413-A417 VanDerWaalsContact O-CB 3.28Å; I413-A417 WeakPolarHBondContact O-CB 3.49Å; I413-A417 PolarHBondContact O-N 2.91Å; H414-A417 PolarHBondContact O-N 2.95Å
418	S	62	Low	59.8	Low	72 Å²	72	109.3 Å²	109.3	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-78.7	-24.4	176.5	-71.2	0	0	0	0	113.4	H414 Y415	H414-S418 PolarHBondContact CE1-OG 3.46Å; H414-S418 VanDerWaalsContact O-CB 3.3Å; H414-S418 WeakPolarHBondContact O-CB 3.27Å; H414-S418 PolarHBondContact O-N 3.41Å; H414-S418 PolarHBondContact O-OG 3.39Å; Y415-S418 PolarHBondContact O-N 2.73Å
419	G	52.7	Low	59.1	Low	46 Å²	46	110.8 Å²	110.8	47%	0.474	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-83.3	-3	-178.9	0	0	0	0	0	116	Y415 L421	Y415-G419 WeakPolarHBondContact O-CA 3.49Å; Y415-G419 PolarHBondContact O-N 2.77Å; G419-L421 VanDerWaalsContact C-N 3.35Å; G419-L421 PolarHBondContact O-N 2.74Å
420	T	45.1	Very low	58	Low	114 Å²	114	112.1 Å²	112.1	70%	0.699	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-88.6	6	-175.7	-50.8	0	0	0	0	113.7	K416	K416-T420 PolarHBondContact O-OG1 2.94Å
421	L	40.3	Very low	57.1	Low	157 Å²	157	113.5 Å²	113.5	82%	0.822	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-123.9	18.6	-177.3	-71.1	178.1	0	0	0	116	G419	G419-L421 VanDerWaalsContact C-N 3.35Å; G419-L421 PolarHBondContact O-N 2.74Å
422	L	36.2	Very low	55.9	Low	149 Å²	149	121.1 Å²	121.1	78%	0.78	65%	0.646	S	S	*	*			trans	-138.9	60.1	176	-69	175	0	0	0	113.3
423	F	32.4	Very low	54.3	Low	204 Å²	204	125 Å²	125	90%	0.895	67%	0.667	S	S	*	*			trans	-139.6	81	157.6	-83.3	-80.4	0	0	0	109.6
424	T	33.6	Very low	52.3	Low	140 Å²	140	126.7 Å²	126.7	86%	0.859	68%	0.677	S	S	*	*			trans	-135.2	82.3	164.4	56.6	0	0	0	0	109
425	H	37.9	Very low	50	Low	259 Å²	259	134.5 Å²	134.5	100%	1.199	72%	0.722	S	S	*	*			trans	-164.3	0	140.8	-146.8	-62.1	0	0	0	111.7

Retrieved 425 of 425 residues in 184.9 ms (Link to these results)

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