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Calretinin

Calcium-binding protein involved in calcium homeostasis and signal transduction. It plays a critical role in buffering intracellular calcium levels and modulating calcium-dependent signaling pathways. Predominantly expressed in specific neuronal populations, influences synaptic plasticity and neuronal excitability, contributing to learning and memory. During embryonic development, it facilitates neuronal differentiation and maturation.

AlphaFold DB , UniProt , Accession A0A060WM88, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110495285, Length 271 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	33	Very low	37.9	Very low	246 Å²	246	128.8 Å²	128.8	100%	1.212	69%	0.691	S	S	*	*				0	109.7	0	-68.7	173.8	175.5	0	0	106.3
2	A	31.9	Very low	38.8	Very low	101 Å²	101	128 Å²	128	84%	0.835	68%	0.679	S	S	*	*			trans	-76.7	127.3	-171.4	0	0	0	0	0	110.5	K4	A2-K4 PolarHBondContact O-N 3.17Å
3	N	32.5	Very low	39.3	Very low	166 Å²	166	128.8 Å²	128.8	89%	0.888	68%	0.682	S	S	*	*			trans	-66.7	113.1	174.1	-136.5	1.6	0	0	0	107.8
4	K	29.7	Very low	40	Very low	185 Å²	185	124.2 Å²	124.2	80%	0.804	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-68.2	135.6	172.6	-78.3	179.7	175.8	179.8	0	108.3	A2 Q6	A2-K4 PolarHBondContact O-N 3.17Å; K4-Q6 PolarHBondContact O-N 3.14Å
5	P	34.3	Very low	41.3	Very low	121 Å²	121	124.4 Å²	124.4	79%	0.786	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62.4	123.5	168.4	25.9	-30.1	0	0	0	108.2	Q7	P5-Q7 PolarHBondContact O-N 3.04Å
6	Q	32	Very low	42.7	Very low	193 Å²	193	117.2 Å²	117.2	90%	0.902	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-61.9	124.2	173.8	-75	176	-28.3	0	0	108.3	K4	K4-Q6 PolarHBondContact O-N 3.14Å
7	Q	39.6	Very low	44.1	Very low	161 Å²	161	112.1 Å²	112.1	75%	0.752	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-67.1	143.4	171.2	-75.5	174.4	-39.6	0	0	109.4	P5 P9	P5-Q7 PolarHBondContact O-N 3.04Å; Q7-P9 VanDerWaalsContact O-CD 3.25Å; Q7-P9 WeakPolarHBondContact O-CD 3.25Å
8	P	38.3	Very low	45.3	Very low	59 Å²	59	106.2 Å²	106.2	38%	0.383	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-64.2	116.8	176.8	25.1	-30.6	0	0	0	108.7	H10	P8-H10 PolarHBondContact O-N 3.46Å
9	P	45	Very low	46.4	Very low	92 Å²	92	104.3 Å²	104.3	60%	0.597	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-2	-169.9	26.6	-29.2	0	0	0	114.1	Q7	Q7-P9 VanDerWaalsContact O-CD 3.25Å; Q7-P9 WeakPolarHBondContact O-CD 3.25Å
10	H	50	Low	47.7	Very low	79 Å²	79	103.2 Å²	103.2	37%	0.366	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100	-13	-159	-59.5	-79.1	0	0	0	116.4	P8 L16 I24	P8-H10 PolarHBondContact O-N 3.46Å; H10-L16 WeakPolarHBondContact O-CD2 3.31Å; H10-I24 HydrophobicContact CB-CD1 4.21Å; H10-I24 HydrophobicContact CB-CG1 3.65Å; H10-I24 WeakPolarHBondContact O-CD1 3.49Å
11	L	50.7	Low	49	Very low	14 Å²	14	98.3 Å²	98.3	7%	0.073	53%	0.53	C	S	.	.			trans	-108.7	15.6	-173.1	-68.7	166.4	0	0	0	114.6	I24 F28 F44 E47 L48 A51 L92	L11-I24 HydrophobicContact CD2-CD1 4.17Å; L11-I24 HydrophobicContact CD2-CG1 4.47Å; L11-I24 HydrophobicContact CD2-CG2 3.99Å; L11-F28 HydrophobicContact CD1-CE2 4.38Å; L11-F28 HydrophobicContact CD1-CZ 4.32Å; L11-F44 HydrophobicContact CD2-CE2 4.45Å; L11-E47 HydrophobicContact CD1-CB 3.68Å; L11-L48 HydrophobicContact CD2-CD1 4.09Å; L11-A51 HydrophobicContact CB-CB 3.44Å; L11-A51 VanDerWaalsContact CB-CB 3.44Å; L11-L92 HydrophobicContact CD2-CD2 3.83Å
12	H	48.9	Very low	50.9	Low	119 Å²	119	87 Å²	87	55%	0.551	47%	0.474	S	S	*	.			trans	-65.8	147.7	179	-89.9	124.6	0	0	0	112.3	A14	H12-A14 PolarHBondContact O-N 3.17Å
13	L	45.6	Very low	53	Low	138 Å²	138	86.1 Å²	86.1	72%	0.723	46%	0.455	S	S	*	.	S	Bend	trans	-59.2	12.9	-178.9	-79.5	152.6	0	0	0	116.4
14	A	49.1	Very low	55.2	Low	65 Å²	65	78.3 Å²	78.3	54%	0.537	41%	0.414	S	S	.	.	S	Bend	trans	-81.5	150.7	169.9	0	0	0	0	0	109.5	H12 L16	H12-A14 PolarHBondContact O-N 3.17Å; A14-L16 PolarHBondContact O-N 2.78Å
15	E	58.3	Low	57.6	Low	127 Å²	127	69.9 Å²	69.9	59%	0.593	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-57.9	125.1	173	-70.4	179.5	152.4	0	0	109.1	P93 E95	E15-P93 CarbonylContact C-O 3.57Å; E15-P93 VanDerWaalsContact CA-O 3.29Å; E15-P93 WeakPolarHBondContact CA-O 3.13Å; E15-E95 HydrophobicContact CB-CB 3.73Å; E15-E95 HydrophobicContact CB-CG 3.61Å; E15-E95 HydrophobicContact CG-CG 4.37Å
16	L	64.8	Low	59.8	Low	9 Å²	9	68.4 Å²	68.4	5%	0.047	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-85.8	130.5	-177.3	-65.3	168.6	0	0	0	109.8	H10 A14 Q20 I24 L92 P93 T94 E95	H10-L16 WeakPolarHBondContact O-CD2 3.31Å; A14-L16 PolarHBondContact O-N 2.78Å; L16-Q20 HydrophobicContact CB-CB 4.44Å; L16-Q20 HydrophobicContact CD2-CB 4.08Å; L16-I24 HydrophobicContact CD1-CD1 3.53Å; L16-I24 HydrophobicContact CD2-CD1 4.14Å; L16-I24 HydrophobicContact CG-CD1 4.46Å; L16-L92 HydrophobicContact CD1-CB 3.98Å; L16-L92 HydrophobicContact CD1-CD1 3.96Å; L16-L92 HydrophobicContact CD1-CD2 4.4Å; L16-L92 HydrophobicContact CD1-CG 4.34Å; L16-P93 PolarHBondContact N-O 2.99Å; L16-T94 HydrophobicContact CB-CG2 4.35Å; L16-T94 CarbonylContact O-C 3.59Å; L16-T94 WeakPolarHBondContact O-CA 3.48Å; L16-T94 VanDerWaalsContact O-CG2 3.24Å; L16-T94 WeakPolarHBondContact O-CG2 3.26Å; L16-E95 WeakPolarHBondContact O-CB 3.37Å; L16-E95 PolarHBondContact O-N 3.28Å
17	S	65.9	Low	62.2	Low	30 Å²	30	64.3 Å²	64.3	21%	0.21	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-64.7	159.2	166.4	60.8	0	0	0	0	111.2	T19 Q20 F21	S17-T19 PolarHBondContact O-N 3.1Å; S17-Q20 PolarHBondContact O-N 2.97Å; S17-Q20 VanDerWaalsContact O-N 3.16Å; S17-Q20 VanDerWaalsContact OG-CD 3.32Å; S17-Q20 VanDerWaalsContact OG-CG 3.28Å; S17-Q20 WeakPolarHBondContact OG-CG 3.22Å; S17-Q20 PolarHBondContact OG-N 3.25Å; S17-Q20 PolarHBondContact OG-OE1 2.8Å; S17-F21 PolarHBondContact O-N 3.44Å
18	A	65.3	Low	64.3	Low	6 Å²	6	57 Å²	57	5%	0.05	31%	0.309	C	S	.	.	H	α-helix	trans	-51.4	-40.8	174.5	0	0	0	0	0	112.7	F21 I22 E96 T158	A18-F21 WeakPolarHBondContact O-CB 3.43Å; A18-F21 PolarHBondContact O-N 3.17Å; A18-I22 VanDerWaalsContact O-CG1 3.3Å; A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 3.26Å; A18-E96 WeakPolarHBondContact CB-OE1 3.41Å; A18-E96 WeakPolarHBondContact CB-OE2 3.46Å; A18-T158 HydrophobicContact CB-CG2 3.38Å
19	T	66.7	Low	66.4	Low	70 Å²	70	54.8 Å²	54.8	43%	0.429	29%	0.294	S	S	.	.	H	α-helix	trans	-68.7	-42.5	-179.2	-1.8	0	0	0	0	112	S17 F21 I22 D23	S17-T19 PolarHBondContact O-N 3.1Å; T19-F21 VanDerWaalsContact C-N 3.3Å; T19-F21 PolarHBondContact O-N 3.11Å; T19-I22 WeakPolarHBondContact O-CB 3.07Å; T19-I22 PolarHBondContact O-N 3.38Å; T19-D23 PolarHBondContact O-N 2.79Å
20	Q	73.1	Confident	68.1	Low	83 Å²	83	55.9 Å²	55.9	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-36.3	175.5	-71.7	166.7	-45.1	0	0	111.9	L16 S17 I22 D23 I24	L16-Q20 HydrophobicContact CB-CB 4.44Å; L16-Q20 HydrophobicContact CD2-CB 4.08Å; S17-Q20 PolarHBondContact O-N 2.97Å; S17-Q20 VanDerWaalsContact O-N 3.16Å; S17-Q20 VanDerWaalsContact OG-CD 3.32Å; S17-Q20 VanDerWaalsContact OG-CG 3.28Å; S17-Q20 WeakPolarHBondContact OG-CG 3.22Å; S17-Q20 PolarHBondContact OG-N 3.25Å; S17-Q20 PolarHBondContact OG-OE1 2.8Å; Q20-I22 VanDerWaalsContact C-N 3.32Å; Q20-D23 PolarHBondContact O-N 3.48Å; Q20-I24 WeakPolarHBondContact O-CD1 3.13Å; Q20-I24 VanDerWaalsContact O-CG1 3.22Å; Q20-I24 WeakPolarHBondContact O-CG1 3.32Å; Q20-I24 PolarHBondContact O-N 2.83Å; Q20-I24 VanDerWaalsContact O-N 3.1Å
21	F	74.8	Confident	69.4	Low	1 Å²	1	56.9 Å²	56.9	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-39.9	174	-179.9	-91.7	0	0	0	111.7	S17 A18 T19 I24 W25 M85 L88 A89 L92 T94 L99 M162	S17-F21 PolarHBondContact O-N 3.44Å; A18-F21 WeakPolarHBondContact O-CB 3.43Å; A18-F21 PolarHBondContact O-N 3.17Å; T19-F21 VanDerWaalsContact C-N 3.3Å; T19-F21 PolarHBondContact O-N 3.11Å; F21-I24 PolarHBondContact O-N 3.03Å; F21-W25 PolarHBondContact O-N 3.46Å; F21-M85 HydrophobicContact CD1-SD 4.34Å; F21-M85 HydrophobicContact CE1-CG 4.19Å; F21-M85 HydrophobicContact CE1-SD 3.35Å; F21-M85 WeakPolarHBondContact CE1-SD 3.49Å; F21-M85 HydrophobicContact CZ-SD 3.89Å; F21-L88 HydrophobicContact CE2-CB 4.3Å; F21-L88 HydrophobicContact CE2-CD2 4.01Å; F21-L88 HydrophobicContact CE2-CG 3.82Å; F21-L88 HydrophobicContact CZ-CB 4.07Å; F21-L88 HydrophobicContact CZ-CD2 4Å; F21-L88 HydrophobicContact CZ-CG 3.99Å; F21-A89 HydrophobicContact CE2-CB 4.25Å; F21-A89 HydrophobicContact CZ-CB 3.88Å; F21-L92 HydrophobicContact CD2-CB 4.27Å; F21-L92 HydrophobicContact CD2-CD1 3.73Å; F21-L92 HydrophobicContact CE2-CB 4.28Å; F21-L92 HydrophobicContact CE2-CD1 3.86Å; F21-L92 HydrophobicContact CE2-CG 4.47Å; F21-T94 HydrophobicContact CB-CG2 3.87Å; F21-T94 HydrophobicContact CD2-CG2 3.95Å; F21-T94 WeakPolarHBondContact CD2-OG1 3.5Å; F21-T94 HydrophobicContact CG-CG2 4.03Å; F21-L99 HydrophobicContact CD1-CD1 4.32Å; F21-L99 HydrophobicContact CE1-CD1 3.62Å; F21-L99 HydrophobicContact CZ-CD1 4.11Å; F21-M162 HydrophobicContact CD1-CE 3.82Å; F21-M162 HydrophobicContact CE1-CE 4.32Å
22	I	71.9	Confident	70.5	Confident	7 Å²	7	58 Å²	58	4%	0.036	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-48.1	173.7	-66.3	168.3	0	0	0	111.3	A18 T19 Q20 I24 W25 N26 T158 K161 M162	A18-I22 VanDerWaalsContact O-CG1 3.3Å; A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 3.26Å; T19-I22 WeakPolarHBondContact O-CB 3.07Å; T19-I22 PolarHBondContact O-N 3.38Å; Q20-I22 VanDerWaalsContact C-N 3.32Å; I22-I24 PolarHBondContact O-N 3.12Å; I22-W25 WeakPolarHBondContact O-CB 3.3Å; I22-W25 PolarHBondContact O-N 2.99Å; I22-N26 VanDerWaalsContact CG2-ND2 3.31Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.49Å; I22-N26 WeakPolarHBondContact O-CB 3.49Å; I22-N26 PolarHBondContact O-N 2.95Å; I22-T158 HydrophobicContact CD1-CG2 3.52Å; I22-T158 HydrophobicContact CG1-CG2 4.34Å; I22-K161 HydrophobicContact CD1-CB 4.39Å; I22-M162 HydrophobicContact CD1-CE 3.7Å; I22-M162 HydrophobicContact CD1-CG 3.66Å; I22-M162 HydrophobicContact CD1-SD 4.36Å; I22-M162 HydrophobicContact CG1-CE 3.18Å; I22-M162 HydrophobicContact CG1-CG 3.46Å; I22-M162 VanDerWaalsContact CG1-CG 3.46Å; I22-M162 HydrophobicContact CG1-SD 4.12Å
23	D	77	Confident	71.5	Confident	83 Å²	83	54.1 Å²	54.1	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-37	-178.2	-68.4	-20.9	0	0	0	110.7	T19 Q20 H27	T19-D23 PolarHBondContact O-N 2.79Å; Q20-D23 PolarHBondContact O-N 3.48Å; D23-H27 WeakPolarHBondContact O-CB 3.49Å; D23-H27 PolarHBondContact O-N 3.3Å; D23-H27 VanDerWaalsContact O-N 3.1Å
24	I	79	Confident	72.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-48.5	173.5	-65.2	160.8	0	0	0	110.7	H10 L11 L16 Q20 F21 I22 H27 F28 L92	H10-I24 HydrophobicContact CB-CD1 4.21Å; H10-I24 HydrophobicContact CB-CG1 3.65Å; H10-I24 WeakPolarHBondContact O-CD1 3.49Å; L11-I24 HydrophobicContact CD2-CD1 4.17Å; L11-I24 HydrophobicContact CD2-CG1 4.47Å; L11-I24 HydrophobicContact CD2-CG2 3.99Å; L16-I24 HydrophobicContact CD1-CD1 3.53Å; L16-I24 HydrophobicContact CD2-CD1 4.14Å; L16-I24 HydrophobicContact CG-CD1 4.46Å; Q20-I24 WeakPolarHBondContact O-CD1 3.13Å; Q20-I24 VanDerWaalsContact O-CG1 3.22Å; Q20-I24 WeakPolarHBondContact O-CG1 3.32Å; Q20-I24 PolarHBondContact O-N 2.83Å; Q20-I24 VanDerWaalsContact O-N 3.1Å; F21-I24 PolarHBondContact O-N 3.03Å; I22-I24 PolarHBondContact O-N 3.12Å; I24-H27 WeakPolarHBondContact O-CB 3.38Å; I24-H27 PolarHBondContact O-N 3.43Å; I24-F28 HydrophobicContact CG2-CD2 3.87Å; I24-F28 HydrophobicContact CG2-CE2 3.86Å; I24-F28 WeakPolarHBondContact O-CD2 3.48Å; I24-F28 PolarHBondContact O-N 3.47Å; I24-L92 HydrophobicContact CD1-CD1 4.02Å; I24-L92 HydrophobicContact CG2-CD1 3.92Å
25	W	79.1	Confident	74.4	Confident	9 Å²	9	46.6 Å²	46.6	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-56.4	-55.8	178.9	177.7	-90.1	0	0	0	111.6	F21 I22 H27 F28 D29 G34 I36 M85 L88	F21-W25 PolarHBondContact O-N 3.46Å; I22-W25 WeakPolarHBondContact O-CB 3.3Å; I22-W25 PolarHBondContact O-N 2.99Å; W25-H27 PolarHBondContact O-N 2.99Å; W25-F28 PolarHBondContact O-N 3.49Å; W25-D29 HydrophobicContact CD2-CB 4.48Å; W25-D29 HydrophobicContact CZ2-CB 4.24Å; W25-D29 PolarHBondContact NE1-OD2 3.42Å; W25-D29 WeakPolarHBondContact O-CB 3.4Å; W25-D29 PolarHBondContact O-N 3.31Å; W25-G34 VanDerWaalsContact CZ2-C 3.45Å; W25-G34 WeakPolarHBondContact CZ2-O 3.3Å; W25-I36 HydrophobicContact CE3-CD1 3.79Å; W25-I36 HydrophobicContact CE3-CG1 4.28Å; W25-I36 HydrophobicContact CH2-CD1 4.46Å; W25-I36 HydrophobicContact CH2-CG1 4.17Å; W25-I36 HydrophobicContact CZ3-CD1 3.72Å; W25-I36 HydrophobicContact CZ3-CG1 3.93Å; W25-M85 HydrophobicContact CB-CE 3.97Å; W25-M85 HydrophobicContact CB-SD 4.03Å; W25-M85 HydrophobicContact CD2-CE 3.19Å; W25-M85 HydrophobicContact CD2-SD 3.32Å; W25-M85 HydrophobicContact CE3-CB 4.21Å; W25-M85 HydrophobicContact CE3-CE 3.84Å; W25-M85 HydrophobicContact CE3-CG 4.41Å; W25-M85 HydrophobicContact CE3-SD 3.3Å; W25-M85 HydrophobicContact CG-CE 3.2Å; W25-M85 HydrophobicContact CG-SD 3.64Å; W25-M85 HydrophobicContact CH2-CB 3.94Å; W25-M85 HydrophobicContact CZ2-CB 4.28Å; W25-M85 HydrophobicContact CZ2-CE 4.1Å; W25-M85 HydrophobicContact CZ3-CB 3.91Å; W25-M85 HydrophobicContact CZ3-SD 3.99Å; W25-L88 HydrophobicContact CB-CD2 4.45Å; W25-L88 HydrophobicContact CE3-CB 4.23Å; W25-L88 HydrophobicContact CE3-CD2 3.57Å; W25-L88 HydrophobicContact CZ3-CB 4.16Å; W25-L88 HydrophobicContact CZ3-CD2 4.25Å
26	N	79.8	Confident	75.6	Confident	89 Å²	89	40.5 Å²	40.5	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-23.9	-178.7	-70.3	-11.7	0	0	0	112.8	I22	I22-N26 VanDerWaalsContact CG2-ND2 3.31Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.49Å; I22-N26 WeakPolarHBondContact O-CB 3.49Å; I22-N26 PolarHBondContact O-N 2.95Å
27	H	83.8	Confident	76.5	Confident	108 Å²	108	42.6 Å²	42.6	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-70.6	-34	174.1	-174.8	64.1	0	0	0	112.3	D23 I24 W25 E47	D23-H27 WeakPolarHBondContact O-CB 3.49Å; D23-H27 PolarHBondContact O-N 3.3Å; D23-H27 VanDerWaalsContact O-N 3.1Å; I24-H27 WeakPolarHBondContact O-CB 3.38Å; I24-H27 PolarHBondContact O-N 3.43Å; W25-H27 PolarHBondContact O-N 2.99Å; H27-E47 IonicContact NE2-OE1 3.87Å
28	F	83.6	Confident	77.4	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-97.6	-37.8	-176.2	-67.9	-65	0	0	0	113.2	L11 I24 W25 T30 I36 E40 N43 F44 E47	L11-F28 HydrophobicContact CD1-CE2 4.38Å; L11-F28 HydrophobicContact CD1-CZ 4.32Å; I24-F28 HydrophobicContact CG2-CD2 3.87Å; I24-F28 HydrophobicContact CG2-CE2 3.86Å; I24-F28 WeakPolarHBondContact O-CD2 3.48Å; I24-F28 PolarHBondContact O-N 3.47Å; W25-F28 PolarHBondContact O-N 3.49Å; F28-T30 PolarHBondContact O-N 2.9Å; F28-T30 PolarHBondContact O-OG1 3.2Å; F28-I36 HydrophobicContact CB-CD1 3.9Å; F28-I36 HydrophobicContact CB-CG1 4.14Å; F28-I36 HydrophobicContact CB-CG2 4.45Å; F28-E40 VanDerWaalsContact O-CB 3.23Å; F28-E40 WeakPolarHBondContact O-CB 3.43Å; F28-E40 VanDerWaalsContact O-CD 3.26Å; F28-E40 WeakPolarHBondContact O-CG 3.5Å; F28-N43 HydrophobicContact CD1-CB 4.46Å; F28-N43 HydrophobicContact CE1-CB 4.44Å; F28-F44 HydrophobicContact CB-CB 4.39Å; F28-F44 HydrophobicContact CD1-CB 3.76Å; F28-F44 HydrophobicContact CD1-CD2 4.45Å; F28-F44 HydrophobicContact CD2-CB 4.31Å; F28-F44 AromaticContact CD2-CD2 3.54Å; F28-F44 HydrophobicContact CD2-CD2 3.54Å; F28-F44 HydrophobicContact CD2-CE2 4.37Å; F28-F44 HydrophobicContact CD2-CG 4.39Å; F28-F44 VanDerWaalsContact CE1-CA 3.43Å; F28-F44 HydrophobicContact CE1-CB 4.11Å; F28-F44 AromaticContact CE2-CD2 3.65Å; F28-F44 HydrophobicContact CE2-CD2 3.65Å; F28-F44 HydrophobicContact CE2-CE2 4.38Å; F28-F44 HydrophobicContact CG-CB 3.89Å; F28-F44 AromaticContact CG-CD2 3.98Å; F28-F44 HydrophobicContact CG-CD2 3.98Å; F28-F44 HydrophobicContact CG-CG 4.41Å; F28-F44 HydrophobicContact CZ-CD2 4.17Å; F28-E47 HydrophobicContact CE1-CB 4.36Å; F28-E47 HydrophobicContact CE1-CG 4.33Å; F28-E47 HydrophobicContact CZ-CB 3.9Å; F28-E47 HydrophobicContact CZ-CG 4.22Å
29	D	83	Confident	78.2	Confident	13 Å²	13	51.4 Å²	51.4	7%	0.07	29%	0.286	C	S	.	.			trans	-76.6	74.2	170.6	-176.8	12.8	0	0	0	109.4	W25 G32 N33 G34	W25-D29 HydrophobicContact CD2-CB 4.48Å; W25-D29 HydrophobicContact CZ2-CB 4.24Å; W25-D29 PolarHBondContact NE1-OD2 3.42Å; W25-D29 WeakPolarHBondContact O-CB 3.4Å; W25-D29 PolarHBondContact O-N 3.31Å; D29-G32 PolarHBondContact O-N 3.5Å; D29-G32 VanDerWaalsContact OD1-CA 3.27Å; D29-G32 WeakPolarHBondContact OD1-CA 3.14Å; D29-G32 PolarHBondContact OD1-N 3.04Å; D29-G32 VanDerWaalsContact OD1-N 3.12Å; D29-N33 PolarHBondContact OD1-N 2.81Å; D29-G34 PolarHBondContact OD1-N 2.93Å; D29-G34 VanDerWaalsContact OD2-CA 3.29Å; D29-G34 WeakPolarHBondContact OD2-CA 3.45Å; D29-G34 PolarHBondContact OD2-N 3.12Å; D29-G34 VanDerWaalsContact OD2-N 3.13Å
30	T	80.3	Confident	79.3	Confident	114 Å²	114	49.1 Å²	49.1	70%	0.699	27%	0.271	S	S	*	.			trans	-76	-31.7	-169.6	-52.2	0	0	0	0	111.4	F28 E40	F28-T30 PolarHBondContact O-N 2.9Å; F28-T30 PolarHBondContact O-OG1 3.2Å; T30-E40 PolarHBondContact N-OE1 3.33Å
31	D	77	Confident	79.8	Confident	101 Å²	101	45.7 Å²	45.7	54%	0.54	26%	0.255	S	S	.	.	S	Bend	trans	-88.4	-4.5	177.6	72.6	6	0	0	0	113.4	N33 E40	D31-N33 PolarHBondContact O-N 3.23Å; D31-N33 WeakPolarHBondContact OD1-CB 3.08Å; D31-N33 PolarHBondContact OD1-N 3.36Å; D31-N33 PolarHBondContact OD1-ND2 2.9Å; D31-N33 PolarHBondContact OD2-ND2 2.95Å; D31-E40 PolarHBondContact N-OE1 2.99Å
32	G	73	Confident	80.2	Confident	37 Å²	37	48.9 Å²	48.9	38%	0.381	27%	0.27	S	S	.	.			trans	66.2	18.1	177.5	0	0	0	0	0	113.1	D29 G34	D29-G32 PolarHBondContact O-N 3.5Å; D29-G32 VanDerWaalsContact OD1-CA 3.27Å; D29-G32 WeakPolarHBondContact OD1-CA 3.14Å; D29-G32 PolarHBondContact OD1-N 3.04Å; D29-G32 VanDerWaalsContact OD1-N 3.12Å; G32-G34 PolarHBondContact O-N 3.25Å
33	N	71.4	Confident	80.7	Confident	38 Å²	38	52.4 Å²	52.4	20%	0.203	29%	0.289	C	S	.	.	S	Bend	trans	-72.2	-11.3	-176.7	75.3	28.3	0	0	0	111.8	D29 D31 Y35 E37 R178	D29-N33 PolarHBondContact OD1-N 2.81Å; D31-N33 PolarHBondContact O-N 3.23Å; D31-N33 WeakPolarHBondContact OD1-CB 3.08Å; D31-N33 PolarHBondContact OD1-N 3.36Å; D31-N33 PolarHBondContact OD1-ND2 2.9Å; D31-N33 PolarHBondContact OD2-ND2 2.95Å; N33-Y35 WeakPolarHBondContact O-CD2 3.32Å; N33-Y35 WeakPolarHBondContact O-CE2 3.46Å; N33-Y35 WeakPolarHBondContact OD1-CA 3.35Å; N33-Y35 VanDerWaalsContact OD1-CB 3.27Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.31Å; N33-Y35 WeakPolarHBondContact OD1-CD2 3.43Å; N33-Y35 PolarHBondContact OD1-N 3.01Å; N33-Y35 PolarHBondContact OD1-O 3.36Å; N33-E37 PolarHBondContact ND2-OE1 3.36Å; N33-R178 PolarHBondContact O-NH2 3.22Å
34	G	73.3	Confident	81.1	Confident	12 Å²	12	48.4 Å²	48.4	12%	0.124	27%	0.268	C	S	.	.	S	Bend	trans	88.2	14.6	-179.8	0	0	0	0	0	114	W25 D29 G32	W25-G34 VanDerWaalsContact CZ2-C 3.45Å; W25-G34 WeakPolarHBondContact CZ2-O 3.3Å; D29-G34 PolarHBondContact OD1-N 2.93Å; D29-G34 VanDerWaalsContact OD2-CA 3.29Å; D29-G34 WeakPolarHBondContact OD2-CA 3.45Å; D29-G34 PolarHBondContact OD2-N 3.12Å; D29-G34 VanDerWaalsContact OD2-N 3.13Å; G32-G34 PolarHBondContact O-N 3.25Å
35	Y	81.1	Confident	81.1	Confident	32 Å²	32	48.7 Å²	48.7	13%	0.125	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138	179.6	-54.4	-87.9	0	0	0	109.6	N33 E37 R82 E84 L188	N33-Y35 WeakPolarHBondContact O-CD2 3.32Å; N33-Y35 WeakPolarHBondContact O-CE2 3.46Å; N33-Y35 WeakPolarHBondContact OD1-CA 3.35Å; N33-Y35 VanDerWaalsContact OD1-CB 3.27Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.31Å; N33-Y35 WeakPolarHBondContact OD1-CD2 3.43Å; N33-Y35 PolarHBondContact OD1-N 3.01Å; N33-Y35 PolarHBondContact OD1-O 3.36Å; Y35-E37 PolarHBondContact O-N 2.96Å; Y35-R82 HydrophobicContact CD1-CB 4.16Å; Y35-E84 HydrophobicContact CD1-CG 4.1Å; Y35-E84 HydrophobicContact CE1-CG 4.11Å; Y35-L188 VanDerWaalsContact OH-CD1 3.28Å; Y35-L188 WeakPolarHBondContact OH-CD1 3.35Å
36	I	83.3	Confident	81	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	104.6	167.9	-62.7	170.8	0	0	0	107	W25 F28 E40 L41 F44 I83 L88	W25-I36 HydrophobicContact CE3-CD1 3.79Å; W25-I36 HydrophobicContact CE3-CG1 4.28Å; W25-I36 HydrophobicContact CH2-CD1 4.46Å; W25-I36 HydrophobicContact CH2-CG1 4.17Å; W25-I36 HydrophobicContact CZ3-CD1 3.72Å; W25-I36 HydrophobicContact CZ3-CG1 3.93Å; F28-I36 HydrophobicContact CB-CD1 3.9Å; F28-I36 HydrophobicContact CB-CG1 4.14Å; F28-I36 HydrophobicContact CB-CG2 4.45Å; I36-E40 HydrophobicContact CG2-CB 3.98Å; I36-L41 HydrophobicContact CG2-CB 4.16Å; I36-L41 HydrophobicContact CG2-CD1 4.35Å; I36-F44 HydrophobicContact CG2-CB 4.09Å; I36-I83 HydrophobicContact CB-CB 4.14Å; I36-I83 PolarHBondContact N-O 3.49Å; I36-I83 PolarHBondContact O-N 3.4Å; I36-L88 HydrophobicContact CD1-CD2 4.15Å
37	E	84.9	Confident	81	Confident	52 Å²	52	49.9 Å²	49.9	24%	0.243	27%	0.268	C	S	.	.			trans	-134.8	162.2	-175.6	71.3	170.9	155.4	0	0	114.9	N33 Y35 K39 E40 R82	N33-E37 PolarHBondContact ND2-OE1 3.36Å; Y35-E37 PolarHBondContact O-N 2.96Å; E37-K39 PolarHBondContact O-N 3.11Å; E37-E40 PolarHBondContact N-OE2 3Å; E37-E40 WeakPolarHBondContact O-CB 3.46Å; E37-E40 PolarHBondContact O-N 3.25Å; E37-R82 HydrophobicContact CB-CB 4.31Å; E37-R82 HydrophobicContact CB-CG 3.93Å; E37-R82 IonicContact OE1-CZ 3.77Å; E37-R82 IonicContact OE1-NE 3.68Å; E37-R82 IonicContact OE1-NH1 3.98Å; E37-R82 IonicContact OE1-NH2 3.36Å; E37-R82 PolarHBondContact OE1-NH2 3.24Å; E37-R82 IonicContact OE2-CZ 2.74Å; E37-R82 IonicContact OE2-NE 2.92Å; E37-R82 PolarHBondContact OE2-NE 3.19Å; E37-R82 IonicContact OE2-NH2 3.03Å; E37-R82 PolarHBondContact OE2-NH2 2.9Å
38	G	84.2	Confident	80.7	Confident	52 Å²	52	45 Å²	45	54%	0.536	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-112.8	176.1	0	0	0	0	0	113.6	E42	G38-E42 PolarHBondContact O-N 3.45Å
39	K	82.7	Confident	80.1	Confident	170 Å²	170	45.7 Å²	45.7	74%	0.739	25%	0.249	S	C	*	.	H	α-helix	trans	-72.3	-29.5	-179.2	-69.2	-177.1	-179.7	176	0	112.9	E37 E42 N43	E37-K39 PolarHBondContact O-N 3.11Å; K39-E42 PolarHBondContact O-N 2.82Å; K39-N43 PolarHBondContact O-N 3.47Å
40	E	88.1	Confident	79.6	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-43.6	178.1	-61.7	172.6	146.3	0	0	110	F28 T30 D31 I36 E37 E42 N43 F44	F28-E40 VanDerWaalsContact O-CB 3.23Å; F28-E40 WeakPolarHBondContact O-CB 3.43Å; F28-E40 VanDerWaalsContact O-CD 3.26Å; F28-E40 WeakPolarHBondContact O-CG 3.5Å; T30-E40 PolarHBondContact N-OE1 3.33Å; D31-E40 PolarHBondContact N-OE1 2.99Å; I36-E40 HydrophobicContact CG2-CB 3.98Å; E37-E40 PolarHBondContact N-OE2 3Å; E37-E40 WeakPolarHBondContact O-CB 3.46Å; E37-E40 PolarHBondContact O-N 3.25Å; E40-E42 PolarHBondContact O-N 3.42Å; E40-N43 PolarHBondContact O-N 3.48Å; E40-F44 WeakPolarHBondContact O-CB 3.35Å; E40-F44 PolarHBondContact O-N 2.87Å
41	L	84.9	Confident	79.1	Confident	11 Å²	11	44.3 Å²	44.3	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-42.9	174.7	-177.7	62.6	0	0	0	112.3	I36 N43 F44 F45 M68 M72 I83	I36-L41 HydrophobicContact CG2-CB 4.16Å; I36-L41 HydrophobicContact CG2-CD1 4.35Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 2.76Å; L41-F44 HydrophobicContact CD1-CD1 4.49Å; L41-F44 PolarHBondContact O-N 2.79Å; L41-F45 WeakPolarHBondContact O-CB 3.5Å; L41-F45 PolarHBondContact O-N 3.07Å; L41-M68 HydrophobicContact CG-SD 4.48Å; L41-M72 HydrophobicContact CD1-SD 3.99Å; L41-M72 HydrophobicContact CD2-CE 3.96Å; L41-M72 HydrophobicContact CD2-CG 4.26Å; L41-M72 HydrophobicContact CD2-SD 3.63Å; L41-M72 HydrophobicContact CG-SD 4.41Å; L41-I83 HydrophobicContact CD1-CB 4.39Å; L41-I83 HydrophobicContact CD1-CG1 3.53Å
42	E	82.1	Confident	78.6	Confident	68 Å²	68	44.9 Å²	44.9	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-38.9	176	-73.3	-175.1	174.2	0	0	112	G38 K39 E40 R46 M68	G38-E42 PolarHBondContact O-N 3.45Å; K39-E42 PolarHBondContact O-N 2.82Å; E40-E42 PolarHBondContact O-N 3.42Å; E42-R46 VanDerWaalsContact O-CB 3.26Å; E42-R46 WeakPolarHBondContact O-CB 3.4Å; E42-R46 PolarHBondContact O-N 3.07Å; E42-M68 HydrophobicContact CG-CE 4.36Å; E42-M68 HydrophobicContact CG-SD 4.18Å
43	N	83.7	Confident	78.1	Confident	80 Å²	80	51.9 Å²	51.9	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-47.3	176.6	-72.8	-15.4	0	0	0	111.6	F28 K39 E40 L41 F45 R46 E47	F28-N43 HydrophobicContact CD1-CB 4.46Å; F28-N43 HydrophobicContact CE1-CB 4.44Å; K39-N43 PolarHBondContact O-N 3.47Å; E40-N43 PolarHBondContact O-N 3.48Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 2.76Å; N43-F45 PolarHBondContact O-N 3.34Å; N43-R46 WeakPolarHBondContact O-CB 3.35Å; N43-R46 PolarHBondContact O-N 2.75Å; N43-E47 PolarHBondContact O-N 2.64Å
44	F	84.2	Confident	77.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55	-52.1	175.7	171.6	-108	0	0	0	111.5	L11 F28 I36 E40 L41 R46 E47 L48 F71 L88 I91	L11-F44 HydrophobicContact CD2-CE2 4.45Å; F28-F44 HydrophobicContact CB-CB 4.39Å; F28-F44 HydrophobicContact CD1-CB 3.76Å; F28-F44 HydrophobicContact CD1-CD2 4.45Å; F28-F44 HydrophobicContact CD2-CB 4.31Å; F28-F44 AromaticContact CD2-CD2 3.54Å; F28-F44 HydrophobicContact CD2-CD2 3.54Å; F28-F44 HydrophobicContact CD2-CE2 4.37Å; F28-F44 HydrophobicContact CD2-CG 4.39Å; F28-F44 VanDerWaalsContact CE1-CA 3.43Å; F28-F44 HydrophobicContact CE1-CB 4.11Å; F28-F44 AromaticContact CE2-CD2 3.65Å; F28-F44 HydrophobicContact CE2-CD2 3.65Å; F28-F44 HydrophobicContact CE2-CE2 4.38Å; F28-F44 HydrophobicContact CG-CB 3.89Å; F28-F44 AromaticContact CG-CD2 3.98Å; F28-F44 HydrophobicContact CG-CD2 3.98Å; F28-F44 HydrophobicContact CG-CG 4.41Å; F28-F44 HydrophobicContact CZ-CD2 4.17Å; I36-F44 HydrophobicContact CG2-CB 4.09Å; E40-F44 WeakPolarHBondContact O-CB 3.35Å; E40-F44 PolarHBondContact O-N 2.87Å; L41-F44 HydrophobicContact CD1-CD1 4.49Å; L41-F44 PolarHBondContact O-N 2.79Å; F44-R46 VanDerWaalsContact C-N 3.3Å; F44-R46 PolarHBondContact O-N 2.79Å; F44-E47 PolarHBondContact O-N 3.39Å; F44-L48 HydrophobicContact CE1-CD2 4.05Å; F44-L48 HydrophobicContact CZ-CD1 4.35Å; F44-L48 HydrophobicContact CZ-CD2 3.96Å; F44-L48 VanDerWaalsContact O-CB 3.28Å; F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 PolarHBondContact O-N 3.35Å; F44-F71 HydrophobicContact CE1-CE1 4.39Å; F44-F71 HydrophobicContact CE1-CZ 4.18Å; F44-L88 HydrophobicContact CD2-CD1 4.45Å; F44-L88 HydrophobicContact CE1-CD1 3.9Å; F44-L88 HydrophobicContact CE2-CD1 3.51Å; F44-L88 HydrophobicContact CZ-CD1 3.18Å; F44-I91 HydrophobicContact CE1-CG2 4.28Å; F44-I91 HydrophobicContact CZ-CG2 3.94Å
45	F	79.4	Confident	76.4	Confident	7 Å²	7	56.2 Å²	56.2	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-36.8	-177.4	-168.9	-101.9	0	0	0	112.1	L41 N43 E49 F64 K67 M68 F71	L41-F45 WeakPolarHBondContact O-CB 3.5Å; L41-F45 PolarHBondContact O-N 3.07Å; N43-F45 PolarHBondContact O-N 3.34Å; F45-E49 HydrophobicContact CD1-CG 4.3Å; F45-E49 HydrophobicContact CE1-CG 3.83Å; F45-E49 HydrophobicContact CZ-CG 4.03Å; F45-E49 WeakPolarHBondContact O-CB 3.15Å; F45-E49 PolarHBondContact O-N 2.92Å; F45-F64 HydrophobicContact CB-CZ 4.45Å; F45-F64 HydrophobicContact CD1-CD2 4.19Å; F45-F64 HydrophobicContact CD1-CE1 4.42Å; F45-F64 AromaticContact CD1-CE2 3.56Å; F45-F64 HydrophobicContact CD1-CE2 3.56Å; F45-F64 AromaticContact CD1-CZ 3.69Å; F45-F64 HydrophobicContact CD1-CZ 3.69Å; F45-F64 HydrophobicContact CE1-CD2 4.3Å; F45-F64 HydrophobicContact CE1-CE2 4.1Å; F45-K67 HydrophobicContact CE1-CB 4.13Å; F45-K67 HydrophobicContact CZ-CB 3.95Å; F45-M68 HydrophobicContact CB-CG 4.49Å; F45-M68 HydrophobicContact CD1-CB 4.01Å; F45-M68 HydrophobicContact CD1-CG 4.22Å; F45-M68 HydrophobicContact CE1-CB 4.03Å; F45-M68 HydrophobicContact CG-CB 4.38Å; F45-M68 HydrophobicContact CG-CG 4.15Å; F45-M68 HydrophobicContact CZ-CB 4.44Å; F45-F71 HydrophobicContact CD2-CB 4.26Å; F45-F71 AromaticContact CD2-CD1 3.99Å; F45-F71 HydrophobicContact CD2-CD1 3.99Å; F45-F71 HydrophobicContact CD2-CD2 4.26Å; F45-F71 HydrophobicContact CD2-CE1 4.36Å; F45-F71 AromaticContact CD2-CG 3.92Å; F45-F71 HydrophobicContact CD2-CG 3.92Å; F45-F71 HydrophobicContact CE2-CB 3.53Å; F45-F71 HydrophobicContact CE2-CD1 4.05Å; F45-F71 AromaticContact CE2-CD2 3.7Å; F45-F71 HydrophobicContact CE2-CD2 3.7Å; F45-F71 HydrophobicContact CE2-CE2 4.37Å; F45-F71 AromaticContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CE2-CG 3.49Å; F45-F71 VanDerWaalsContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CZ-CB 4.22Å
46	R	78.1	Confident	74.9	Confident	80 Å²	80	58.1 Å²	58.1	30%	0.302	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-49.9	174.5	176.8	-163.9	-56.6	-98.6	-5.2	111.5	E42 N43 F44 L48 E49 I50 P59 F64	E42-R46 VanDerWaalsContact O-CB 3.26Å; E42-R46 WeakPolarHBondContact O-CB 3.4Å; E42-R46 PolarHBondContact O-N 3.07Å; N43-R46 WeakPolarHBondContact O-CB 3.35Å; N43-R46 PolarHBondContact O-N 2.75Å; F44-R46 VanDerWaalsContact C-N 3.3Å; F44-R46 PolarHBondContact O-N 2.79Å; R46-L48 VanDerWaalsContact C-N 3.34Å; R46-E49 PolarHBondContact O-N 3.39Å; R46-I50 HydrophobicContact CG-CD1 3.97Å; R46-I50 VanDerWaalsContact O-CG1 3.23Å; R46-I50 WeakPolarHBondContact O-CG1 3.37Å; R46-I50 PolarHBondContact O-N 3.33Å; R46-P59 VanDerWaalsContact CZ-CB 3.48Å; R46-F64 HydrophobicContact CB-CE2 4.27Å; R46-F64 HydrophobicContact CB-CZ 4.24Å
47	E	79.7	Confident	73.5	Confident	44 Å²	44	60 Å²	60	21%	0.206	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-37	-179.8	-70.6	-165.9	-150	0	0	112	L11 H27 F28 N43 F44 I50 A51	L11-E47 HydrophobicContact CD1-CB 3.68Å; H27-E47 IonicContact NE2-OE1 3.87Å; F28-E47 HydrophobicContact CE1-CB 4.36Å; F28-E47 HydrophobicContact CE1-CG 4.33Å; F28-E47 HydrophobicContact CZ-CB 3.9Å; F28-E47 HydrophobicContact CZ-CG 4.22Å; N43-E47 PolarHBondContact O-N 2.64Å; F44-E47 PolarHBondContact O-N 3.39Å; E47-I50 PolarHBondContact O-N 2.98Å; E47-A51 WeakPolarHBondContact O-CB 3.44Å; E47-A51 PolarHBondContact O-N 3.06Å
48	L	76.6	Confident	72	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-44.5	174.6	-171.3	73	0	0	0	112.1	L11 F44 R46 A51 R52 F71 I91 L92	L11-L48 HydrophobicContact CD2-CD1 4.09Å; F44-L48 HydrophobicContact CE1-CD2 4.05Å; F44-L48 HydrophobicContact CZ-CD1 4.35Å; F44-L48 HydrophobicContact CZ-CD2 3.96Å; F44-L48 VanDerWaalsContact O-CB 3.28Å; F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 PolarHBondContact O-N 3.35Å; R46-L48 VanDerWaalsContact C-N 3.34Å; L48-A51 PolarHBondContact O-N 2.88Å; L48-R52 WeakPolarHBondContact O-CB 3.43Å; L48-R52 PolarHBondContact O-N 2.76Å; L48-F71 HydrophobicContact CD2-CE2 3.95Å; L48-F71 HydrophobicContact CD2-CZ 4.06Å; L48-I91 HydrophobicContact CD2-CG2 3.9Å; L48-L92 HydrophobicContact CD1-CD2 3.91Å
49	E	72.1	Confident	70.5	Confident	21 Å²	21	61.7 Å²	61.7	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-40.3	175.3	-85.6	-84.5	102.4	0	0	111.3	F45 R46 A51 R52 R53 V57 K67	F45-E49 HydrophobicContact CD1-CG 4.3Å; F45-E49 HydrophobicContact CE1-CG 3.83Å; F45-E49 HydrophobicContact CZ-CG 4.03Å; F45-E49 WeakPolarHBondContact O-CB 3.15Å; F45-E49 PolarHBondContact O-N 2.92Å; R46-E49 PolarHBondContact O-N 3.39Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.97Å; E49-R52 PolarHBondContact O-N 3.09Å; E49-R53 WeakPolarHBondContact O-CB 3.39Å; E49-R53 PolarHBondContact O-N 2.97Å; E49-R53 IonicContact OE1-NE 3.1Å; E49-V57 HydrophobicContact CB-CG2 4.05Å; E49-K67 IonicContact OE2-NZ 2.85Å; E49-K67 PolarHBondContact OE2-NZ 3.13Å
50	I	71.6	Confident	69.2	Low	66 Å²	66	58.5 Å²	58.5	34%	0.338	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.9	-70.1	166	0	0	0	110.4	R46 E47 G54	R46-I50 HydrophobicContact CG-CD1 3.97Å; R46-I50 VanDerWaalsContact O-CG1 3.23Å; R46-I50 WeakPolarHBondContact O-CG1 3.37Å; R46-I50 PolarHBondContact O-N 3.33Å; E47-I50 PolarHBondContact O-N 2.98Å; I50-G54 CarbonylContact O-C 3.56Å; I50-G54 WeakPolarHBondContact O-CA 3.13Å; I50-G54 PolarHBondContact O-N 3.44Å
51	A	69.7	Low	67.9	Low	32 Å²	32	61.5 Å²	61.5	26%	0.264	35%	0.352	S	S	.	.	H	α-helix	trans	-68.9	-37.9	179.8	0	0	0	0	0	113	L11 E47 L48 E49	L11-A51 HydrophobicContact CB-CB 3.44Å; L11-A51 VanDerWaalsContact CB-CB 3.44Å; E47-A51 WeakPolarHBondContact O-CB 3.44Å; E47-A51 PolarHBondContact O-N 3.06Å; L48-A51 PolarHBondContact O-N 2.88Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.97Å
52	R	65.9	Low	66.7	Low	113 Å²	113	64.9 Å²	64.9	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-81.9	-34.8	-179.6	-76.9	-174.7	-176	175.2	2.5	114.5	L48 E49 I91	L48-R52 WeakPolarHBondContact O-CB 3.43Å; L48-R52 PolarHBondContact O-N 2.76Å; E49-R52 PolarHBondContact O-N 3.09Å; R52-I91 PolarHBondContact NH2-O 2.92Å
53	R	63.5	Low	66	Low	183 Å²	183	64.7 Å²	64.7	69%	0.691	38%	0.38	S	S	*	.	H	α-helix	trans	-120.6	-5.4	-170.5	-68.1	-178.7	172.7	-126.4	0.7	114.3	E49	E49-R53 WeakPolarHBondContact O-CB 3.39Å; E49-R53 PolarHBondContact O-N 2.97Å; E49-R53 IonicContact OE1-NE 3.1Å
54	G	60.9	Low	65.3	Low	35 Å²	35	61.3 Å²	61.3	36%	0.361	36%	0.362	S	S	.	.			trans	84.2	175.5	-175.7	0	0	0	0	0	113.8	I50 G56	I50-G54 CarbonylContact O-C 3.56Å; I50-G54 WeakPolarHBondContact O-CA 3.13Å; I50-G54 PolarHBondContact O-N 3.44Å; G54-G56 PolarHBondContact O-N 2.89Å
55	A	48.3	Very low	64.7	Low	106 Å²	106	69.6 Å²	69.6	88%	0.876	39%	0.393	S	S	*	.	S	Bend	trans	-71.1	84.6	-177.7	0	0	0	0	0	111.9
56	G	48.8	Very low	64.5	Low	73 Å²	73	75.1 Å²	75.1	75%	0.753	42%	0.419	S	S	*	.			trans	-154.9	9.4	177.6	0	0	0	0	0	115.5	G54	G54-G56 PolarHBondContact O-N 2.89Å
57	V	53.2	Low	64.3	Low	38 Å²	38	74.4 Å²	74.4	23%	0.23	42%	0.418	C	S	.	.			trans	-98.9	107	-177.7	-172	0	0	0	0	109.7	E49 P59 F64	E49-V57 HydrophobicContact CB-CG2 4.05Å; V57-P59 WeakPolarHBondContact O-CD 3.25Å; V57-F64 HydrophobicContact CG1-CD2 3.79Å; V57-F64 HydrophobicContact CG1-CE2 4.41Å
58	D	54.8	Low	64.1	Low	87 Å²	87	73.7 Å²	73.7	47%	0.465	42%	0.415	S	S	.	.			trans	-75.8	116	171.8	-170.1	-22.3	0	0	0	109.3	S60 N61	D58-S60 PolarHBondContact O-N 3.11Å; D58-S60 WeakPolarHBondContact OD1-CB 3.32Å; D58-S60 PolarHBondContact OD1-N 2.91Å; D58-S60 PolarHBondContact OD1-OG 3.46Å; D58-N61 HydrophobicContact CB-CB 4.46Å; D58-N61 WeakPolarHBondContact O-CB 3.33Å; D58-N61 PolarHBondContact O-N 2.9Å
59	P	52.4	Low	64.1	Low	54 Å²	54	80.1 Å²	80.1	35%	0.351	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.2	179.4	31.1	-41.6	0	0	0	114.3	R46 V57 N61	R46-P59 VanDerWaalsContact CZ-CB 3.48Å; V57-P59 WeakPolarHBondContact O-CD 3.25Å; P59-N61 VanDerWaalsContact C-N 3.28Å
60	S	55.9	Low	64.4	Low	103 Å²	103	85.3 Å²	85.3	72%	0.72	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.8	-178.4	-30.1	0	0	0	0	112.4	D58	D58-S60 PolarHBondContact O-N 3.11Å; D58-S60 WeakPolarHBondContact OD1-CB 3.32Å; D58-S60 PolarHBondContact OD1-N 2.91Å; D58-S60 PolarHBondContact OD1-OG 3.46Å
61	N	60.5	Low	64.7	Low	85 Å²	85	83.2 Å²	83.2	46%	0.455	46%	0.455	S	S	.	.	S	Bend	trans	-88.8	135.7	-169.6	-142.8	-8.5	0	0	0	111	D58 P59 T63 F64	D58-N61 HydrophobicContact CB-CB 4.46Å; D58-N61 WeakPolarHBondContact O-CB 3.33Å; D58-N61 PolarHBondContact O-N 2.9Å; P59-N61 VanDerWaalsContact C-N 3.28Å; N61-T63 PolarHBondContact O-N 3.4Å; N61-F64 WeakPolarHBondContact O-CB 3.35Å; N61-F64 PolarHBondContact O-N 3.28Å
62	S	59.1	Low	65.1	Low	81 Å²	81	82.6 Å²	82.6	57%	0.566	45%	0.448	S	S	*	.	H	α-helix	trans	-54	-31.1	179	51.5	0	0	0	0	112.7	F64 R65 E66	S62-F64 VanDerWaalsContact C-N 3.3Å; S62-F64 PolarHBondContact O-N 2.89Å; S62-R65 PolarHBondContact O-N 2.77Å; S62-E66 PolarHBondContact O-N 3.24Å
63	T	67.1	Low	65.8	Low	64 Å²	64	84.2 Å²	84.2	39%	0.393	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-26.9	174.2	46.3	0	0	0	0	114.5	N61 K67	N61-T63 PolarHBondContact O-N 3.4Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 VanDerWaalsContact O-CG 3.23Å; T63-K67 WeakPolarHBondContact O-CG 3.22Å; T63-K67 PolarHBondContact O-N 3.11Å
64	F	69.7	Low	66.4	Low	10 Å²	10	82.9 Å²	82.9	4%	0.044	46%	0.459	C	S	.	.	H	α-helix	trans	-67.6	-46.9	176.8	179.1	-95.1	0	0	0	110.7	F45 R46 V57 N61 S62 K67 M68	F45-F64 HydrophobicContact CB-CZ 4.45Å; F45-F64 HydrophobicContact CD1-CD2 4.19Å; F45-F64 HydrophobicContact CD1-CE1 4.42Å; F45-F64 AromaticContact CD1-CE2 3.56Å; F45-F64 HydrophobicContact CD1-CE2 3.56Å; F45-F64 AromaticContact CD1-CZ 3.69Å; F45-F64 HydrophobicContact CD1-CZ 3.69Å; F45-F64 HydrophobicContact CE1-CD2 4.3Å; F45-F64 HydrophobicContact CE1-CE2 4.1Å; R46-F64 HydrophobicContact CB-CE2 4.27Å; R46-F64 HydrophobicContact CB-CZ 4.24Å; V57-F64 HydrophobicContact CG1-CD2 3.79Å; V57-F64 HydrophobicContact CG1-CE2 4.41Å; N61-F64 WeakPolarHBondContact O-CB 3.35Å; N61-F64 PolarHBondContact O-N 3.28Å; S62-F64 VanDerWaalsContact C-N 3.3Å; S62-F64 PolarHBondContact O-N 2.89Å; F64-K67 PolarHBondContact O-N 2.78Å; F64-M68 HydrophobicContact CE1-SD 4.32Å; F64-M68 WeakPolarHBondContact O-CB 3.29Å; F64-M68 PolarHBondContact O-N 3.02Å
65	R	71.8	Confident	67.1	Low	174 Å²	174	82.8 Å²	82.8	66%	0.657	45%	0.449	S	S	*	.	H	α-helix	trans	-65.9	-38.7	177.5	-77.7	-174.3	157.5	-156	-7.5	112.4	S62 M68 K69	S62-R65 PolarHBondContact O-N 2.77Å; R65-M68 PolarHBondContact O-N 3.4Å; R65-K69 WeakPolarHBondContact O-CB 3.38Å; R65-K69 PolarHBondContact O-N 3.16Å
66	E	75.5	Confident	68.4	Low	122 Å²	122	78.6 Å²	78.6	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-64.2	-47.2	175.7	-72.7	176.4	163.2	0	0	111.7	S62 M68 K69 E70	S62-E66 PolarHBondContact O-N 3.24Å; E66-M68 PolarHBondContact O-N 3.5Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.29Å; E66-E70 PolarHBondContact O-N 3.38Å
67	K	73.8	Confident	69.4	Low	65 Å²	65	79.5 Å²	79.5	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-62.9	-40.6	175.4	-75.5	175.7	171.3	-173.8	0	113	F45 E49 T63 F64 K69 E70 F71	F45-K67 HydrophobicContact CE1-CB 4.13Å; F45-K67 HydrophobicContact CZ-CB 3.95Å; E49-K67 IonicContact OE2-NZ 2.85Å; E49-K67 PolarHBondContact OE2-NZ 3.13Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 VanDerWaalsContact O-CG 3.23Å; T63-K67 WeakPolarHBondContact O-CG 3.22Å; T63-K67 PolarHBondContact O-N 3.11Å; F64-K67 PolarHBondContact O-N 2.78Å; K67-K69 VanDerWaalsContact C-N 3.27Å; K67-K69 PolarHBondContact O-N 2.73Å; K67-E70 PolarHBondContact O-N 2.97Å; K67-F71 VanDerWaalsContact O-CB 3.25Å; K67-F71 WeakPolarHBondContact O-CB 3.43Å; K67-F71 PolarHBondContact O-N 3.1Å
68	M	74.5	Confident	70	Confident	30 Å²	30	79.3 Å²	79.3	15%	0.148	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-40	175.8	-170.3	175.7	70.9	0	0	110.2	L41 E42 F45 F64 R65 E66 F71 M72	L41-M68 HydrophobicContact CG-SD 4.48Å; E42-M68 HydrophobicContact CG-CE 4.36Å; E42-M68 HydrophobicContact CG-SD 4.18Å; F45-M68 HydrophobicContact CB-CG 4.49Å; F45-M68 HydrophobicContact CD1-CB 4.01Å; F45-M68 HydrophobicContact CD1-CG 4.22Å; F45-M68 HydrophobicContact CE1-CB 4.03Å; F45-M68 HydrophobicContact CG-CB 4.38Å; F45-M68 HydrophobicContact CG-CG 4.15Å; F45-M68 HydrophobicContact CZ-CB 4.44Å; F64-M68 HydrophobicContact CE1-SD 4.32Å; F64-M68 WeakPolarHBondContact O-CB 3.29Å; F64-M68 PolarHBondContact O-N 3.02Å; R65-M68 PolarHBondContact O-N 3.4Å; E66-M68 PolarHBondContact O-N 3.5Å; M68-F71 WeakPolarHBondContact O-CB 3.35Å; M68-F71 PolarHBondContact O-N 3.03Å; M68-M72 WeakPolarHBondContact O-CB 3.49Å; M68-M72 VanDerWaalsContact O-CG 3.28Å; M68-M72 WeakPolarHBondContact O-CG 3.44Å; M68-M72 PolarHBondContact O-N 2.9Å
69	K	77.5	Confident	70.8	Confident	140 Å²	140	79.2 Å²	79.2	61%	0.609	40%	0.404	S	S	*	.	H	α-helix	trans	-65.7	-42.4	175.4	-168.3	178.8	-178.7	-178.1	0	112.6	R65 E66 K67 F71 M72 Q73	R65-K69 WeakPolarHBondContact O-CB 3.38Å; R65-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.29Å; K67-K69 VanDerWaalsContact C-N 3.27Å; K67-K69 PolarHBondContact O-N 2.73Å; K69-F71 VanDerWaalsContact C-N 3.32Å; K69-M72 PolarHBondContact O-N 3.34Å; K69-Q73 WeakPolarHBondContact O-CB 3.4Å; K69-Q73 WeakPolarHBondContact O-CG 3.39Å; K69-Q73 PolarHBondContact O-N 3.11Å
70	E	77.8	Confident	71.8	Confident	131 Å²	131	79.6 Å²	79.6	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-64.1	-38.4	173.8	-73.4	-177.8	172.7	0	0	112.1	E66 K67 Q73 K74	E66-E70 PolarHBondContact O-N 3.38Å; K67-E70 PolarHBondContact O-N 2.97Å; E70-Q73 PolarHBondContact O-N 3.04Å; E70-K74 PolarHBondContact O-N 3.43Å
71	F	77.7	Confident	72.8	Confident	21 Å²	21	76.7 Å²	76.7	9%	0.092	39%	0.389	C	S	.	.	H	α-helix	trans	-63.5	-49.2	175.5	179.4	-89.7	0	0	0	111.3	F44 F45 L48 K67 M68 K69 Q73 K74 F75 I83 I91	F44-F71 HydrophobicContact CE1-CE1 4.39Å; F44-F71 HydrophobicContact CE1-CZ 4.18Å; F45-F71 HydrophobicContact CD2-CB 4.26Å; F45-F71 AromaticContact CD2-CD1 3.99Å; F45-F71 HydrophobicContact CD2-CD1 3.99Å; F45-F71 HydrophobicContact CD2-CD2 4.26Å; F45-F71 HydrophobicContact CD2-CE1 4.36Å; F45-F71 AromaticContact CD2-CG 3.92Å; F45-F71 HydrophobicContact CD2-CG 3.92Å; F45-F71 HydrophobicContact CE2-CB 3.53Å; F45-F71 HydrophobicContact CE2-CD1 4.05Å; F45-F71 AromaticContact CE2-CD2 3.7Å; F45-F71 HydrophobicContact CE2-CD2 3.7Å; F45-F71 HydrophobicContact CE2-CE2 4.37Å; F45-F71 AromaticContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CE2-CG 3.49Å; F45-F71 VanDerWaalsContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CZ-CB 4.22Å; L48-F71 HydrophobicContact CD2-CE2 3.95Å; L48-F71 HydrophobicContact CD2-CZ 4.06Å; K67-F71 VanDerWaalsContact O-CB 3.25Å; K67-F71 WeakPolarHBondContact O-CB 3.43Å; K67-F71 PolarHBondContact O-N 3.1Å; M68-F71 WeakPolarHBondContact O-CB 3.35Å; M68-F71 PolarHBondContact O-N 3.03Å; K69-F71 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.86Å; F71-K74 PolarHBondContact O-N 3.21Å; F71-K74 VanDerWaalsContact O-N 3.08Å; F71-F75 HydrophobicContact CD1-CD2 4.37Å; F71-F75 AromaticContact CD2-CD2 3.73Å; F71-F75 HydrophobicContact CD2-CD2 3.73Å; F71-F75 AromaticContact CD2-CE2 3.83Å; F71-F75 HydrophobicContact CD2-CE2 3.83Å; F71-F75 HydrophobicContact CE1-CD2 4.29Å; F71-F75 AromaticContact CE2-CD2 3.65Å; F71-F75 HydrophobicContact CE2-CD2 3.65Å; F71-F75 AromaticContact CE2-CE2 3.72Å; F71-F75 HydrophobicContact CE2-CE2 3.72Å; F71-F75 HydrophobicContact CG-CD2 4.12Å; F71-F75 AromaticContact CZ-CD2 3.96Å; F71-F75 HydrophobicContact CZ-CD2 3.96Å; F71-F75 HydrophobicContact CZ-CE2 4.41Å; F71-F75 WeakPolarHBondContact O-CD2 3.15Å; F71-F75 PolarHBondContact O-N 3.07Å; F71-I83 HydrophobicContact CE1-CD1 4.42Å; F71-I91 HydrophobicContact CE1-CD1 3.67Å; F71-I91 HydrophobicContact CE1-CG1 4.28Å; F71-I91 HydrophobicContact CE2-CG1 4.25Å; F71-I91 HydrophobicContact CE2-CG2 3.99Å; F71-I91 HydrophobicContact CZ-CB 4.21Å; F71-I91 HydrophobicContact CZ-CD1 3.41Å; F71-I91 VanDerWaalsContact CZ-CD1 3.41Å; F71-I91 HydrophobicContact CZ-CG1 3.57Å; F71-I91 HydrophobicContact CZ-CG2 3.56Å
72	M	79.1	Confident	73.9	Confident	20 Å²	20	76.7 Å²	76.7	10%	0.099	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-49	174.3	-70.4	-58.8	-71.8	0	0	110.5	L41 M68 K69 K74 F75 D76 G81 I83	L41-M72 HydrophobicContact CD1-SD 3.99Å; L41-M72 HydrophobicContact CD2-CE 3.96Å; L41-M72 HydrophobicContact CD2-CG 4.26Å; L41-M72 HydrophobicContact CD2-SD 3.63Å; L41-M72 HydrophobicContact CG-SD 4.41Å; M68-M72 WeakPolarHBondContact O-CB 3.49Å; M68-M72 VanDerWaalsContact O-CG 3.28Å; M68-M72 WeakPolarHBondContact O-CG 3.44Å; M68-M72 PolarHBondContact O-N 2.9Å; K69-M72 PolarHBondContact O-N 3.34Å; M72-K74 PolarHBondContact O-N 2.84Å; M72-F75 PolarHBondContact O-N 3.46Å; M72-F75 VanDerWaalsContact O-N 3.14Å; M72-D76 HydrophobicContact CB-CB 4.34Å; M72-D76 HydrophobicContact CE-CB 3.52Å; M72-D76 WeakPolarHBondContact CE-OD2 3.4Å; M72-D76 WeakPolarHBondContact O-CA 3.43Å; M72-D76 WeakPolarHBondContact O-CB 3.48Å; M72-D76 PolarHBondContact O-N 2.9Å; M72-D76 HydrophobicContact SD-CB 4.26Å; M72-G81 VanDerWaalsContact CE-C 3.4Å; M72-I83 HydrophobicContact CE-CD1 4.06Å; M72-I83 HydrophobicContact CE-CG1 4.25Å; M72-I83 HydrophobicContact SD-CD1 3.55Å; M72-I83 VanDerWaalsContact SD-CD1 3.55Å; M72-I83 HydrophobicContact SD-CG1 3.76Å
73	Q	79.5	Confident	74.9	Confident	147 Å²	147	72.8 Å²	72.8	69%	0.687	36%	0.356	S	S	*	.	H	α-helix	trans	-55.1	-25.8	176.7	-79.6	-176.3	-6.7	0	0	114.8	K69 E70 F71	K69-Q73 WeakPolarHBondContact O-CB 3.4Å; K69-Q73 WeakPolarHBondContact O-CG 3.39Å; K69-Q73 PolarHBondContact O-N 3.11Å; E70-Q73 PolarHBondContact O-N 3.04Å; F71-Q73 PolarHBondContact O-N 2.86Å
74	K	76.7	Confident	75.4	Confident	154 Å²	154	70.2 Å²	70.2	67%	0.67	34%	0.339	S	S	*	.	H	α-helix	trans	-88.9	-36.2	-179.6	-170.7	174.4	178.9	-179	0	113.2	E70 F71 M72	E70-K74 PolarHBondContact O-N 3.43Å; F71-K74 PolarHBondContact O-N 3.21Å; F71-K74 VanDerWaalsContact O-N 3.08Å; M72-K74 PolarHBondContact O-N 2.84Å
75	F	74.4	Confident	75.5	Confident	34 Å²	34	70.3 Å²	70.3	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-112.9	-31.1	-169.4	-66.7	-75.7	0	0	0	114.2	F71 M72 K77 E87 Q90 I91	F71-F75 HydrophobicContact CD1-CD2 4.37Å; F71-F75 AromaticContact CD2-CD2 3.73Å; F71-F75 HydrophobicContact CD2-CD2 3.73Å; F71-F75 AromaticContact CD2-CE2 3.83Å; F71-F75 HydrophobicContact CD2-CE2 3.83Å; F71-F75 HydrophobicContact CE1-CD2 4.29Å; F71-F75 AromaticContact CE2-CD2 3.65Å; F71-F75 HydrophobicContact CE2-CD2 3.65Å; F71-F75 AromaticContact CE2-CE2 3.72Å; F71-F75 HydrophobicContact CE2-CE2 3.72Å; F71-F75 HydrophobicContact CG-CD2 4.12Å; F71-F75 AromaticContact CZ-CD2 3.96Å; F71-F75 HydrophobicContact CZ-CD2 3.96Å; F71-F75 HydrophobicContact CZ-CE2 4.41Å; F71-F75 WeakPolarHBondContact O-CD2 3.15Å; F71-F75 PolarHBondContact O-N 3.07Å; M72-F75 PolarHBondContact O-N 3.46Å; M72-F75 VanDerWaalsContact O-N 3.14Å; F75-K77 PolarHBondContact O-N 3.45Å; F75-K77 VanDerWaalsContact O-N 3.11Å; F75-E87 WeakPolarHBondContact O-CG 3.48Å; F75-Q90 HydrophobicContact CD1-CB 4.36Å; F75-I91 HydrophobicContact CB-CD1 3.91Å; F75-I91 HydrophobicContact CB-CG1 3.87Å; F75-I91 HydrophobicContact CD1-CG1 3.56Å; F75-I91 HydrophobicContact CD2-CG1 4.02Å; F75-I91 HydrophobicContact CE1-CG1 4.04Å; F75-I91 HydrophobicContact CE2-CG1 4.46Å; F75-I91 HydrophobicContact CG-CD1 4.14Å; F75-I91 HydrophobicContact CG-CG1 3.55Å; F75-I91 HydrophobicContact CZ-CG1 4.47Å
76	D	77.7	Confident	75.4	Confident	17 Å²	17	62.8 Å²	62.8	9%	0.091	31%	0.314	C	S	.	.			trans	-75.5	91.8	168.6	170.6	7.2	0	0	0	108.5	M72 N78 A79 D80 G81 I83 E87	M72-D76 HydrophobicContact CB-CB 4.34Å; M72-D76 HydrophobicContact CE-CB 3.52Å; M72-D76 WeakPolarHBondContact CE-OD2 3.4Å; M72-D76 WeakPolarHBondContact O-CA 3.43Å; M72-D76 WeakPolarHBondContact O-CB 3.48Å; M72-D76 PolarHBondContact O-N 2.9Å; M72-D76 HydrophobicContact SD-CB 4.26Å; D76-N78 PolarHBondContact OD1-N 3.02Å; D76-N78 PolarHBondContact OD1-OD1 3.37Å; D76-A79 WeakPolarHBondContact OD1-CA 3.12Å; D76-A79 PolarHBondContact OD1-N 3.02Å; D76-A79 WeakPolarHBondContact OD2-CA 3.4Å; D76-D80 PolarHBondContact OD1-N 2.83Å; D76-D80 PolarHBondContact OD2-N 3.2Å; D76-G81 WeakPolarHBondContact OD2-CA 3.32Å; D76-G81 PolarHBondContact OD2-N 3.27Å; D76-I83 HydrophobicContact CB-CD1 4.45Å; D76-E87 WeakPolarHBondContact CA-OE1 3.27Å
77	K	69.4	Low	75.4	Confident	92 Å²	92	57.1 Å²	57.1	40%	0.4	29%	0.287	S	S	.	.	S	Bend	trans	-79.1	-23.1	-173.9	-79.4	-179.5	173.5	169.5	0	112.4	F75 E87 Q90 K183	F75-K77 PolarHBondContact O-N 3.45Å; F75-K77 VanDerWaalsContact O-N 3.11Å; K77-E87 PolarHBondContact N-OE1 3.34Å; K77-Q90 VanDerWaalsContact CE-OE1 3.31Å; K77-K183 WeakPolarHBondContact O-CE 3.5Å; K77-K183 PolarHBondContact O-NZ 3.16Å; K77-K183 VanDerWaalsContact O-NZ 3.08Å
78	N	65.2	Low	75.6	Confident	35 Å²	35	54 Å²	54	19%	0.187	27%	0.274	C	S	.	.	S	Bend	trans	-95	-9.5	-178.1	76.1	7.3	0	0	0	111.7	D76 D80 E84 V182 K183	D76-N78 PolarHBondContact OD1-N 3.02Å; D76-N78 PolarHBondContact OD1-OD1 3.37Å; N78-D80 VanDerWaalsContact CG-CG 3.46Å; N78-D80 PolarHBondContact ND2-OD2 3.3Å; N78-D80 PolarHBondContact O-N 2.97Å; N78-D80 VanDerWaalsContact OD1-CB 3.25Å; N78-D80 WeakPolarHBondContact OD1-CB 3.24Å; N78-D80 PolarHBondContact OD1-N 3.3Å; N78-D80 PolarHBondContact OD1-OD1 3.31Å; N78-D80 VanDerWaalsContact OD1-OD1 3.06Å; N78-D80 PolarHBondContact OD1-OD2 2.84Å; N78-E84 PolarHBondContact ND2-OE1 3.44Å; N78-V182 WeakPolarHBondContact ND2-CB 3.47Å; N78-V182 WeakPolarHBondContact ND2-CG1 3.09Å; N78-K183 HydrophobicContact CB-CG 4.3Å
79	A	71.6	Confident	75.4	Confident	85 Å²	85	53.1 Å²	53.1	70%	0.702	27%	0.271	S	S	*	.			trans	57.1	30.7	-178.6	0	0	0	0	0	113.2	D76 G81	D76-A79 WeakPolarHBondContact OD1-CA 3.12Å; D76-A79 PolarHBondContact OD1-N 3.02Å; D76-A79 WeakPolarHBondContact OD2-CA 3.4Å; A79-G81 VanDerWaalsContact C-N 3.3Å
80	D	73.4	Confident	75.1	Confident	62 Å²	62	49 Å²	49	33%	0.332	25%	0.254	S	S	.	.	S	Bend	trans	-84.8	-5.9	179.1	76.4	3.4	0	0	0	113	D76 N78 R82	D76-D80 PolarHBondContact OD1-N 2.83Å; D76-D80 PolarHBondContact OD2-N 3.2Å; N78-D80 VanDerWaalsContact CG-CG 3.46Å; N78-D80 PolarHBondContact ND2-OD2 3.3Å; N78-D80 PolarHBondContact O-N 2.97Å; N78-D80 VanDerWaalsContact OD1-CB 3.25Å; N78-D80 WeakPolarHBondContact OD1-CB 3.24Å; N78-D80 PolarHBondContact OD1-N 3.3Å; N78-D80 PolarHBondContact OD1-OD1 3.31Å; N78-D80 VanDerWaalsContact OD1-OD1 3.06Å; N78-D80 PolarHBondContact OD1-OD2 2.84Å; D80-R82 VanDerWaalsContact C-N 3.32Å; D80-R82 WeakPolarHBondContact OD1-CA 3.28Å; D80-R82 WeakPolarHBondContact OD1-CB 3.35Å; D80-R82 PolarHBondContact OD1-N 3.17Å
81	G	76.9	Confident	74.8	Confident	41 Å²	41	43 Å²	43	42%	0.423	23%	0.226	S	C	.	.	S	Bend	trans	79.5	13.5	178.8	0	0	0	0	0	114	M72 D76 A79	M72-G81 VanDerWaalsContact CE-C 3.4Å; D76-G81 WeakPolarHBondContact OD2-CA 3.32Å; D76-G81 PolarHBondContact OD2-N 3.27Å; A79-G81 VanDerWaalsContact C-N 3.3Å
82	R	82.6	Confident	74.2	Confident	85 Å²	85	42.5 Å²	42.5	32%	0.321	22%	0.224	S	C	.	.			trans	-119.9	154.8	179	-52.1	176.5	167.3	-160.7	-17.2	109	Y35 E37 D80	Y35-R82 HydrophobicContact CD1-CB 4.16Å; E37-R82 HydrophobicContact CB-CB 4.31Å; E37-R82 HydrophobicContact CB-CG 3.93Å; E37-R82 IonicContact OE1-CZ 3.77Å; E37-R82 IonicContact OE1-NE 3.68Å; E37-R82 IonicContact OE1-NH1 3.98Å; E37-R82 IonicContact OE1-NH2 3.36Å; E37-R82 PolarHBondContact OE1-NH2 3.24Å; E37-R82 IonicContact OE2-CZ 2.74Å; E37-R82 IonicContact OE2-NE 2.92Å; E37-R82 PolarHBondContact OE2-NE 3.19Å; E37-R82 IonicContact OE2-NH2 3.03Å; E37-R82 PolarHBondContact OE2-NH2 2.9Å; D80-R82 VanDerWaalsContact C-N 3.32Å; D80-R82 WeakPolarHBondContact OD1-CA 3.28Å; D80-R82 WeakPolarHBondContact OD1-CB 3.35Å; D80-R82 PolarHBondContact OD1-N 3.17Å
83	I	81.3	Confident	73.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.5	169.9	-67.5	-63.3	0	0	0	108.3	I36 L41 F71 M72 D76 E87 L88 I91	I36-I83 HydrophobicContact CB-CB 4.14Å; I36-I83 PolarHBondContact N-O 3.49Å; I36-I83 PolarHBondContact O-N 3.4Å; L41-I83 HydrophobicContact CD1-CB 4.39Å; L41-I83 HydrophobicContact CD1-CG1 3.53Å; F71-I83 HydrophobicContact CE1-CD1 4.42Å; M72-I83 HydrophobicContact CE-CD1 4.06Å; M72-I83 HydrophobicContact CE-CG1 4.25Å; M72-I83 HydrophobicContact SD-CD1 3.55Å; M72-I83 VanDerWaalsContact SD-CD1 3.55Å; M72-I83 HydrophobicContact SD-CG1 3.76Å; D76-I83 HydrophobicContact CB-CD1 4.45Å; I83-E87 HydrophobicContact CG2-CB 4.34Å; I83-L88 HydrophobicContact CG2-CB 4.12Å; I83-I91 HydrophobicContact CD1-CD1 4.05Å; I83-I91 HydrophobicContact CG2-CD1 4.11Å
84	E	76.9	Confident	72.2	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	161.5	172.3	-64.5	166.6	-148.7	0	0	111.4	Y35 N78 S86 E87 L88 V182	Y35-E84 HydrophobicContact CD1-CG 4.1Å; Y35-E84 HydrophobicContact CE1-CG 4.11Å; N78-E84 PolarHBondContact ND2-OE1 3.44Å; E84-S86 PolarHBondContact O-N 3.39Å; E84-S86 PolarHBondContact OE2-OG 3.07Å; E84-E87 HydrophobicContact CB-CG 4.21Å; E84-E87 PolarHBondContact N-OE2 3.22Å; E84-E87 CarbonylContact O-C 3.59Å; E84-E87 WeakPolarHBondContact O-CA 3.35Å; E84-E87 WeakPolarHBondContact O-CB 3.19Å; E84-E87 PolarHBondContact O-N 2.95Å; E84-L88 PolarHBondContact O-N 2.74Å; E84-V182 HydrophobicContact CG-CG2 4.09Å; E84-V182 WeakPolarHBondContact OE1-CB 3.13Å; E84-V182 WeakPolarHBondContact OE1-CG2 3.28Å; E84-V182 WeakPolarHBondContact OE2-CG2 3.44Å
85	M	72.4	Confident	71	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.059	20%	0.204	C	C	.	.	H	α-helix	trans	-53.7	-40.9	172.4	-172.1	73.5	83.4	0	0	111.9	F21 W25 E87 L88 A89 L99 F163	F21-M85 HydrophobicContact CD1-SD 4.34Å; F21-M85 HydrophobicContact CE1-CG 4.19Å; F21-M85 HydrophobicContact CE1-SD 3.35Å; F21-M85 WeakPolarHBondContact CE1-SD 3.49Å; F21-M85 HydrophobicContact CZ-SD 3.89Å; W25-M85 HydrophobicContact CB-CE 3.97Å; W25-M85 HydrophobicContact CB-SD 4.03Å; W25-M85 HydrophobicContact CD2-CE 3.19Å; W25-M85 HydrophobicContact CD2-SD 3.32Å; W25-M85 HydrophobicContact CE3-CB 4.21Å; W25-M85 HydrophobicContact CE3-CE 3.84Å; W25-M85 HydrophobicContact CE3-CG 4.41Å; W25-M85 HydrophobicContact CE3-SD 3.3Å; W25-M85 HydrophobicContact CG-CE 3.2Å; W25-M85 HydrophobicContact CG-SD 3.64Å; W25-M85 HydrophobicContact CH2-CB 3.94Å; W25-M85 HydrophobicContact CZ2-CB 4.28Å; W25-M85 HydrophobicContact CZ2-CE 4.1Å; W25-M85 HydrophobicContact CZ3-CB 3.91Å; W25-M85 HydrophobicContact CZ3-SD 3.99Å; M85-E87 PolarHBondContact O-N 3.23Å; M85-L88 PolarHBondContact O-N 3.08Å; M85-A89 WeakPolarHBondContact O-CB 3.37Å; M85-A89 PolarHBondContact O-N 3.34Å; M85-L99 HydrophobicContact CG-CD1 4.33Å; M85-F163 HydrophobicContact CG-CZ 4.2Å
86	S	68.9	Low	70	Confident	16 Å²	16	36.3 Å²	36.3	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-24.6	179.4	81.6	0	0	0	0	113	E84 Q90	E84-S86 PolarHBondContact O-N 3.39Å; E84-S86 PolarHBondContact OE2-OG 3.07Å; S86-Q90 PolarHBondContact O-NE2 3.07Å
87	E	77	Confident	69	Low	4 Å²	4	39.3 Å²	39.3	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-89.3	-39.7	177.5	-62.8	177.1	145.7	0	0	110.5	F75 D76 K77 I83 E84 M85 A89 Q90 I91	F75-E87 WeakPolarHBondContact O-CG 3.48Å; D76-E87 WeakPolarHBondContact CA-OE1 3.27Å; K77-E87 PolarHBondContact N-OE1 3.34Å; I83-E87 HydrophobicContact CG2-CB 4.34Å; E84-E87 HydrophobicContact CB-CG 4.21Å; E84-E87 PolarHBondContact N-OE2 3.22Å; E84-E87 CarbonylContact O-C 3.59Å; E84-E87 WeakPolarHBondContact O-CA 3.35Å; E84-E87 WeakPolarHBondContact O-CB 3.19Å; E84-E87 PolarHBondContact O-N 2.95Å; M85-E87 PolarHBondContact O-N 3.23Å; E87-A89 VanDerWaalsContact C-N 3.27Å; E87-A89 PolarHBondContact O-N 3.16Å; E87-Q90 WeakPolarHBondContact O-CB 3.45Å; E87-Q90 PolarHBondContact O-N 3.41Å; E87-I91 WeakPolarHBondContact O-CD1 3.45Å; E87-I91 WeakPolarHBondContact O-CG1 3.33Å; E87-I91 PolarHBondContact O-N 2.87Å; E87-I91 VanDerWaalsContact O-N 3.16Å
88	L	77.2	Confident	68.3	Low	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-39.3	172.2	-171.8	67.7	0	0	0	111.8	F21 W25 I36 F44 I83 E84 M85 Q90 I91 L92	F21-L88 HydrophobicContact CE2-CB 4.3Å; F21-L88 HydrophobicContact CE2-CD2 4.01Å; F21-L88 HydrophobicContact CE2-CG 3.82Å; F21-L88 HydrophobicContact CZ-CB 4.07Å; F21-L88 HydrophobicContact CZ-CD2 4Å; F21-L88 HydrophobicContact CZ-CG 3.99Å; W25-L88 HydrophobicContact CB-CD2 4.45Å; W25-L88 HydrophobicContact CE3-CB 4.23Å; W25-L88 HydrophobicContact CE3-CD2 3.57Å; W25-L88 HydrophobicContact CZ3-CB 4.16Å; W25-L88 HydrophobicContact CZ3-CD2 4.25Å; I36-L88 HydrophobicContact CD1-CD2 4.15Å; F44-L88 HydrophobicContact CD2-CD1 4.45Å; F44-L88 HydrophobicContact CE1-CD1 3.9Å; F44-L88 HydrophobicContact CE2-CD1 3.51Å; F44-L88 HydrophobicContact CZ-CD1 3.18Å; I83-L88 HydrophobicContact CG2-CB 4.12Å; E84-L88 PolarHBondContact O-N 2.74Å; M85-L88 PolarHBondContact O-N 3.08Å; L88-Q90 PolarHBondContact O-N 3.41Å; L88-Q90 VanDerWaalsContact O-N 3.15Å; L88-I91 HydrophobicContact CD1-CB 4.37Å; L88-I91 HydrophobicContact CD1-CD1 4.44Å; L88-I91 HydrophobicContact CD1-CG2 4.42Å; L88-I91 WeakPolarHBondContact O-CB 3.02Å; L88-I91 PolarHBondContact O-N 2.97Å; L88-L92 HydrophobicContact CD1-CD1 3.94Å; L88-L92 HydrophobicContact CD1-CG 3.99Å; L88-L92 HydrophobicContact CD2-CD1 4.05Å; L88-L92 HydrophobicContact CG-CD1 3.87Å; L88-L92 HydrophobicContact CG-CG 4.21Å; L88-L92 PolarHBondContact O-N 3.31Å
89	A	70.8	Confident	68	Low	10 Å²	10	34.4 Å²	34.4	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-21	175.4	0	0	0	0	0	113.5	F21 M85 E87 L99	F21-A89 HydrophobicContact CE2-CB 4.25Å; F21-A89 HydrophobicContact CZ-CB 3.88Å; M85-A89 WeakPolarHBondContact O-CB 3.37Å; M85-A89 PolarHBondContact O-N 3.34Å; E87-A89 VanDerWaalsContact C-N 3.27Å; E87-A89 PolarHBondContact O-N 3.16Å; A89-L99 HydrophobicContact CB-CB 4.14Å; A89-L99 HydrophobicContact CB-CD1 3.85Å
90	Q	70	Confident	67.5	Low	53 Å²	53	32.6 Å²	32.6	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-91.1	-21.4	173.1	-67.5	168.9	71.3	0	0	112.7	F75 K77 S86 E87 L88 L100 R103	F75-Q90 HydrophobicContact CD1-CB 4.36Å; K77-Q90 VanDerWaalsContact CE-OE1 3.31Å; S86-Q90 PolarHBondContact O-NE2 3.07Å; E87-Q90 WeakPolarHBondContact O-CB 3.45Å; E87-Q90 PolarHBondContact O-N 3.41Å; L88-Q90 PolarHBondContact O-N 3.41Å; L88-Q90 VanDerWaalsContact O-N 3.15Å; Q90-L100 HydrophobicContact CG-CD2 3.97Å; Q90-R103 VanDerWaalsContact NE2-NH1 3.12Å
91	I	71.3	Confident	66.8	Low	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-81	-42.7	-178.8	-70.8	160.5	0	0	0	110.6	F44 L48 R52 F71 F75 I83 E87 L88	F44-I91 HydrophobicContact CE1-CG2 4.28Å; F44-I91 HydrophobicContact CZ-CG2 3.94Å; L48-I91 HydrophobicContact CD2-CG2 3.9Å; R52-I91 PolarHBondContact NH2-O 2.92Å; F71-I91 HydrophobicContact CE1-CD1 3.67Å; F71-I91 HydrophobicContact CE1-CG1 4.28Å; F71-I91 HydrophobicContact CE2-CG1 4.25Å; F71-I91 HydrophobicContact CE2-CG2 3.99Å; F71-I91 HydrophobicContact CZ-CB 4.21Å; F71-I91 HydrophobicContact CZ-CD1 3.41Å; F71-I91 VanDerWaalsContact CZ-CD1 3.41Å; F71-I91 HydrophobicContact CZ-CG1 3.57Å; F71-I91 HydrophobicContact CZ-CG2 3.56Å; F75-I91 HydrophobicContact CB-CD1 3.91Å; F75-I91 HydrophobicContact CB-CG1 3.87Å; F75-I91 HydrophobicContact CD1-CG1 3.56Å; F75-I91 HydrophobicContact CD2-CG1 4.02Å; F75-I91 HydrophobicContact CE1-CG1 4.04Å; F75-I91 HydrophobicContact CE2-CG1 4.46Å; F75-I91 HydrophobicContact CG-CD1 4.14Å; F75-I91 HydrophobicContact CG-CG1 3.55Å; F75-I91 HydrophobicContact CZ-CG1 4.47Å; I83-I91 HydrophobicContact CD1-CD1 4.05Å; I83-I91 HydrophobicContact CG2-CD1 4.11Å; E87-I91 WeakPolarHBondContact O-CD1 3.45Å; E87-I91 WeakPolarHBondContact O-CG1 3.33Å; E87-I91 PolarHBondContact O-N 2.87Å; E87-I91 VanDerWaalsContact O-N 3.16Å; L88-I91 HydrophobicContact CD1-CB 4.37Å; L88-I91 HydrophobicContact CD1-CD1 4.44Å; L88-I91 HydrophobicContact CD1-CG2 4.42Å; L88-I91 WeakPolarHBondContact O-CB 3.02Å; L88-I91 PolarHBondContact O-N 2.97Å
92	L	66.4	Low	66.1	Low	10 Å²	10	27.9 Å²	27.9	5%	0.052	14%	0.142	C	C	.	.	S	Bend	trans	-90	140.5	-177.5	-64.4	-179.1	0	0	0	110.5	L11 L16 F21 I24 L48 L88 T94	L11-L92 HydrophobicContact CD2-CD2 3.83Å; L16-L92 HydrophobicContact CD1-CB 3.98Å; L16-L92 HydrophobicContact CD1-CD1 3.96Å; L16-L92 HydrophobicContact CD1-CD2 4.4Å; L16-L92 HydrophobicContact CD1-CG 4.34Å; F21-L92 HydrophobicContact CD2-CB 4.27Å; F21-L92 HydrophobicContact CD2-CD1 3.73Å; F21-L92 HydrophobicContact CE2-CB 4.28Å; F21-L92 HydrophobicContact CE2-CD1 3.86Å; F21-L92 HydrophobicContact CE2-CG 4.47Å; I24-L92 HydrophobicContact CD1-CD1 4.02Å; I24-L92 HydrophobicContact CG2-CD1 3.92Å; L48-L92 HydrophobicContact CD1-CD2 3.91Å; L88-L92 HydrophobicContact CD1-CD1 3.94Å; L88-L92 HydrophobicContact CD1-CG 3.99Å; L88-L92 HydrophobicContact CD2-CD1 4.05Å; L88-L92 HydrophobicContact CG-CD1 3.87Å; L88-L92 HydrophobicContact CG-CG 4.21Å; L88-L92 PolarHBondContact O-N 3.31Å; L92-T94 PolarHBondContact O-N 3.14Å; L92-T94 PolarHBondContact O-OG1 3.07Å
93	P	57.8	Low	65	Low	62 Å²	62	27.5 Å²	27.5	40%	0.403	14%	0.141	S	C	.	.			trans	-73.9	72.6	171.5	32.2	-32.3	0	0	0	108.3	E15 L16	E15-P93 CarbonylContact C-O 3.57Å; E15-P93 VanDerWaalsContact CA-O 3.29Å; E15-P93 WeakPolarHBondContact CA-O 3.13Å; L16-P93 PolarHBondContact N-O 2.99Å
94	T	57.9	Low	64.1	Low	18 Å²	18	34.9 Å²	34.9	11%	0.11	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-75.8	126.5	175.9	-31.9	0	0	0	0	107.5	L16 F21 L92 E96	L16-T94 HydrophobicContact CB-CG2 4.35Å; L16-T94 CarbonylContact O-C 3.59Å; L16-T94 WeakPolarHBondContact O-CA 3.48Å; L16-T94 VanDerWaalsContact O-CG2 3.24Å; L16-T94 WeakPolarHBondContact O-CG2 3.26Å; F21-T94 HydrophobicContact CB-CG2 3.87Å; F21-T94 HydrophobicContact CD2-CG2 3.95Å; F21-T94 WeakPolarHBondContact CD2-OG1 3.5Å; F21-T94 HydrophobicContact CG-CG2 4.03Å; L92-T94 PolarHBondContact O-N 3.14Å; L92-T94 PolarHBondContact O-OG1 3.07Å; T94-E96 HydrophobicContact CG2-CB 4.42Å; T94-E96 PolarHBondContact O-N 2.87Å
95	E	52.2	Low	63.3	Low	112 Å²	112	36.1 Å²	36.1	52%	0.523	18%	0.18	S	C	.	.	S	Bend	trans	-51.6	-27.9	173.4	-145.4	168.2	-143.2	0	0	110.2	E15 L16	E15-E95 HydrophobicContact CB-CB 3.73Å; E15-E95 HydrophobicContact CB-CG 3.61Å; E15-E95 HydrophobicContact CG-CG 4.37Å; L16-E95 WeakPolarHBondContact O-CB 3.37Å; L16-E95 PolarHBondContact O-N 3.28Å
96	E	54.1	Low	62.9	Low	34 Å²	34	35.7 Å²	35.7	16%	0.159	18%	0.178	C	C	.	.			trans	-101.1	94.1	178.7	-75	174	-145.9	0	0	113	A18 T94 F98 Y155	A18-E96 WeakPolarHBondContact CB-OE1 3.41Å; A18-E96 WeakPolarHBondContact CB-OE2 3.46Å; T94-E96 HydrophobicContact CG2-CB 4.42Å; T94-E96 PolarHBondContact O-N 2.87Å; E96-F98 HydrophobicContact CB-CB 3.96Å; E96-F98 HydrophobicContact CG-CB 4.49Å; E96-F98 PolarHBondContact O-N 3.43Å; E96-Y155 HydrophobicContact CG-CE1 4Å; E96-Y155 VanDerWaalsContact OE1-CE1 3.23Å; E96-Y155 WeakPolarHBondContact OE1-CE1 2.9Å; E96-Y155 WeakPolarHBondContact OE2-CD1 3.43Å; E96-Y155 VanDerWaalsContact OE2-CE1 3.24Å; E96-Y155 WeakPolarHBondContact OE2-CE1 3.38Å
97	N	55.3	Low	62.5	Low	79 Å²	79	37 Å²	37	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	19.6	149.8	-73	-45	0	0	0	113.2	L100 C101	N97-L100 HydrophobicContact CB-CB 4.47Å; N97-L100 HydrophobicContact CB-CD1 4.43Å; N97-L100 WeakPolarHBondContact O-CB 3.26Å; N97-L100 PolarHBondContact O-N 2.89Å; N97-L100 VanDerWaalsContact OD1-CD1 3.32Å; N97-L100 WeakPolarHBondContact OD1-CD1 3.33Å; N97-C101 PolarHBondContact O-N 2.71Å; N97-C101 PolarHBondContact O-SG 3.12Å
98	F	55.6	Low	62	Low	4 Å²	4	38.1 Å²	38.1	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-45.5	-176.8	164.6	-99.7	0	0	0	111.7	E96 L100 C101 F102 L136 L139 L140 Y155 I159	E96-F98 HydrophobicContact CB-CB 3.96Å; E96-F98 HydrophobicContact CG-CB 4.49Å; E96-F98 PolarHBondContact O-N 3.43Å; F98-L100 PolarHBondContact O-N 3.22Å; F98-C101 WeakPolarHBondContact O-CB 3.29Å; F98-C101 PolarHBondContact O-N 2.69Å; F98-F102 PolarHBondContact O-N 2.88Å; F98-L136 HydrophobicContact CE1-CD2 4.37Å; F98-L136 HydrophobicContact CE2-CD2 3.31Å; F98-L136 HydrophobicContact CZ-CD2 3.18Å; F98-L139 HydrophobicContact CE2-CD2 4.22Å; F98-L140 HydrophobicContact CD2-CD2 4.33Å; F98-Y155 HydrophobicContact CD2-CD2 4.39Å; F98-I159 HydrophobicContact CE1-CD1 3.37Å; F98-I159 HydrophobicContact CE1-CG1 3.65Å; F98-I159 HydrophobicContact CE2-CD1 4.42Å; F98-I159 HydrophobicContact CZ-CD1 3.26Å; F98-I159 HydrophobicContact CZ-CG1 4.1Å
99	L	59.1	Low	61.6	Low	21 Å²	21	38.7 Å²	38.7	11%	0.11	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-32	171.9	-68.8	172.3	0	0	0	111.4	F21 M85 A89 F102 R103 L179	F21-L99 HydrophobicContact CD1-CD1 4.32Å; F21-L99 HydrophobicContact CE1-CD1 3.62Å; F21-L99 HydrophobicContact CZ-CD1 4.11Å; M85-L99 HydrophobicContact CG-CD1 4.33Å; A89-L99 HydrophobicContact CB-CB 4.14Å; A89-L99 HydrophobicContact CB-CD1 3.85Å; L99-F102 WeakPolarHBondContact O-CB 3.47Å; L99-F102 PolarHBondContact O-N 3.46Å; L99-R103 PolarHBondContact O-N 3.44Å; L99-R103 VanDerWaalsContact O-N 3.13Å; L99-L179 HydrophobicContact CD2-CD2 3.64Å
100	L	59.7	Low	61.6	Low	47 Å²	47	40.1 Å²	40.1	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-39.8	172.3	-70.5	170.3	0	0	0	112	Q90 N97 F98 F102 R103 E104	Q90-L100 HydrophobicContact CG-CD2 3.97Å; N97-L100 HydrophobicContact CB-CB 4.47Å; N97-L100 HydrophobicContact CB-CD1 4.43Å; N97-L100 WeakPolarHBondContact O-CB 3.26Å; N97-L100 PolarHBondContact O-N 2.89Å; N97-L100 VanDerWaalsContact OD1-CD1 3.32Å; N97-L100 WeakPolarHBondContact OD1-CD1 3.33Å; F98-L100 PolarHBondContact O-N 3.22Å; L100-F102 VanDerWaalsContact C-N 3.29Å; L100-F102 PolarHBondContact O-N 3.04Å; L100-R103 CarbonylContact O-C 3.52Å; L100-R103 WeakPolarHBondContact O-CB 3.43Å; L100-R103 PolarHBondContact O-N 3.25Å; L100-E104 WeakPolarHBondContact O-CG 3.4Å; L100-E104 PolarHBondContact O-N 2.91Å
101	C	59.6	Low	61.9	Low	4 Å²	4	42.7 Å²	42.7	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-35.9	172.8	-69.5	0	0	0	0	111.9	N97 F98 R103 E104 F105 L139 A143 R145	N97-C101 PolarHBondContact O-N 2.71Å; N97-C101 PolarHBondContact O-SG 3.12Å; F98-C101 WeakPolarHBondContact O-CB 3.29Å; F98-C101 PolarHBondContact O-N 2.69Å; C101-R103 VanDerWaalsContact C-N 3.33Å; C101-E104 PolarHBondContact O-N 2.92Å; C101-F105 VanDerWaalsContact O-CB 3.27Å; C101-F105 WeakPolarHBondContact O-CB 3.35Å; C101-F105 PolarHBondContact O-N 3.43Å; C101-L139 HydrophobicContact CB-CD2 3.61Å; C101-A143 HydrophobicContact CB-CB 4.33Å; C101-R145 PolarHBondContact SG-NE 3.14Å; C101-R145 PolarHBondContact SG-NH2 2.94Å; C101-R145 VanDerWaalsContact SG-NH2 3.44Å
102	F	61.3	Low	62.1	Low	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.3	-52.6	170.8	-163.3	-82.8	0	0	0	110.4	F98 L99 L100 E104 F105 V106 F112 F135 L139 M176 L179 L180	F98-F102 PolarHBondContact O-N 2.88Å; L99-F102 WeakPolarHBondContact O-CB 3.47Å; L99-F102 PolarHBondContact O-N 3.46Å; L100-F102 VanDerWaalsContact C-N 3.29Å; L100-F102 PolarHBondContact O-N 3.04Å; F102-E104 PolarHBondContact O-N 3.39Å; F102-F105 WeakPolarHBondContact O-CB 3.31Å; F102-F105 PolarHBondContact O-N 2.98Å; F102-F105 VanDerWaalsContact O-N 3.08Å; F102-V106 HydrophobicContact CD1-CG2 3.61Å; F102-V106 HydrophobicContact CE1-CG2 3.53Å; F102-V106 HydrophobicContact CZ-CG2 4.4Å; F102-V106 WeakPolarHBondContact O-CG2 3.45Å; F102-V106 PolarHBondContact O-N 2.92Å; F102-V106 VanDerWaalsContact O-N 3.07Å; F102-F112 HydrophobicContact CE1-CD2 4.38Å; F102-F112 HydrophobicContact CE1-CE2 4.31Å; F102-F112 HydrophobicContact CZ-CD2 4.34Å; F102-F112 HydrophobicContact CZ-CE2 4.01Å; F102-F135 AromaticContact CD2-CE1 3.47Å; F102-F135 HydrophobicContact CD2-CE1 3.47Å; F102-F135 VanDerWaalsContact CD2-CE1 3.47Å; F102-F135 AromaticContact CD2-CZ 3.75Å; F102-F135 HydrophobicContact CD2-CZ 3.75Å; F102-F135 HydrophobicContact CE2-CD1 4.19Å; F102-F135 AromaticContact CE2-CE1 3.11Å; F102-F135 HydrophobicContact CE2-CE1 3.11Å; F102-F135 HydrophobicContact CE2-CE2 4.42Å; F102-F135 AromaticContact CE2-CZ 3.25Å; F102-F135 HydrophobicContact CE2-CZ 3.25Å; F102-F135 HydrophobicContact CZ-CE1 4.13Å; F102-F135 AromaticContact CZ-CZ 3.85Å; F102-F135 HydrophobicContact CZ-CZ 3.85Å; F102-L139 HydrophobicContact CB-CD1 4.41Å; F102-L139 HydrophobicContact CD2-CD1 4.03Å; F102-L139 HydrophobicContact CG-CD1 4.43Å; F102-M176 HydrophobicContact CE2-CE 3.65Å; F102-M176 HydrophobicContact CZ-CE 3.58Å; F102-M176 HydrophobicContact CZ-CG 4.33Å; F102-L179 HydrophobicContact CD1-CB 3.7Å; F102-L179 HydrophobicContact CD1-CD1 4.46Å; F102-L179 HydrophobicContact CD1-CG 4.48Å; F102-L179 HydrophobicContact CD2-CD1 4.31Å; F102-L179 HydrophobicContact CE1-CB 3.36Å; F102-L179 HydrophobicContact CE1-CD1 3.97Å; F102-L179 HydrophobicContact CE1-CG 4.21Å; F102-L179 HydrophobicContact CE2-CD1 3.77Å; F102-L179 HydrophobicContact CG-CB 4.5Å; F102-L179 HydrophobicContact CZ-CB 3.89Å; F102-L179 HydrophobicContact CZ-CD1 3.59Å; F102-L179 HydrophobicContact CZ-CG 4.33Å; F102-L180 HydrophobicContact CE1-CD2 4.49Å
103	R	60.9	Low	62.6	Low	77 Å²	77	42 Å²	42	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-35.6	178.2	-170.8	-177.5	137.2	146	12.2	114.3	Q90 L99 L100 C101 F105 P181	Q90-R103 VanDerWaalsContact NE2-NH1 3.12Å; L99-R103 PolarHBondContact O-N 3.44Å; L99-R103 VanDerWaalsContact O-N 3.13Å; L100-R103 CarbonylContact O-C 3.52Å; L100-R103 WeakPolarHBondContact O-CB 3.43Å; L100-R103 PolarHBondContact O-N 3.25Å; C101-R103 VanDerWaalsContact C-N 3.33Å; R103-F105 VanDerWaalsContact C-N 3.3Å; R103-P181 HydrophobicContact CG-CG 4.33Å
104	E	62.4	Low	63.5	Low	155 Å²	155	41.4 Å²	41.4	72%	0.724	23%	0.225	S	C	*	.	H	α-helix	trans	-71.7	-27	174.6	-74.2	-176.6	150.9	0	0	112.5	L100 C101 F102	L100-E104 WeakPolarHBondContact O-CG 3.4Å; L100-E104 PolarHBondContact O-N 2.91Å; C101-E104 PolarHBondContact O-N 2.92Å; F102-E104 PolarHBondContact O-N 3.39Å
105	F	59.8	Low	64.5	Low	35 Å²	35	41.1 Å²	41.1	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-81.8	-33.5	-178.8	-168.8	-88.6	0	0	0	112.7	C101 F102 R103 F135 L139 K142	C101-F105 VanDerWaalsContact O-CB 3.27Å; C101-F105 WeakPolarHBondContact O-CB 3.35Å; C101-F105 PolarHBondContact O-N 3.43Å; F102-F105 WeakPolarHBondContact O-CB 3.31Å; F102-F105 PolarHBondContact O-N 2.98Å; F102-F105 VanDerWaalsContact O-N 3.08Å; R103-F105 VanDerWaalsContact C-N 3.3Å; F105-F135 HydrophobicContact CD1-CE2 4.34Å; F105-F135 HydrophobicContact CD1-CZ 4.36Å; F105-F135 HydrophobicContact CE1-CE2 4.22Å; F105-L139 HydrophobicContact CB-CD1 3.5Å; F105-L139 HydrophobicContact CB-CG 3.87Å; F105-L139 HydrophobicContact CD1-CD1 3.99Å; F105-L139 HydrophobicContact CD2-CB 4.18Å; F105-L139 HydrophobicContact CD2-CD1 4.15Å; F105-L139 HydrophobicContact CD2-CG 3.85Å; F105-L139 HydrophobicContact CE2-CB 4.4Å; F105-L139 HydrophobicContact CG-CB 4.46Å; F105-L139 HydrophobicContact CG-CD1 3.63Å; F105-L139 HydrophobicContact CG-CG 3.86Å; F105-K142 HydrophobicContact CD2-CB 4.08Å; F105-K142 HydrophobicContact CD2-CD 3.43Å; F105-K142 VanDerWaalsContact CD2-CD 3.43Å; F105-K142 HydrophobicContact CD2-CG 4.33Å; F105-K142 HydrophobicContact CE2-CB 3.84Å; F105-K142 HydrophobicContact CE2-CD 3.23Å; F105-K142 HydrophobicContact CE2-CG 4.18Å; F105-K142 HydrophobicContact CZ-CD 4.26Å
106	V	62.9	Low	65.8	Low	2 Å²	2	36 Å²	36	1%	0.012	20%	0.2	C	C	.	.			trans	-111.1	88.9	175.4	-84.5	0	0	0	0	110.2	F102 S108 F112 L180	F102-V106 HydrophobicContact CD1-CG2 3.61Å; F102-V106 HydrophobicContact CE1-CG2 3.53Å; F102-V106 HydrophobicContact CZ-CG2 4.4Å; F102-V106 WeakPolarHBondContact O-CG2 3.45Å; F102-V106 PolarHBondContact O-N 2.92Å; F102-V106 VanDerWaalsContact O-N 3.07Å; V106-S108 VanDerWaalsContact C-N 3.34Å; V106-F112 HydrophobicContact CB-CB 4.11Å; V106-F112 VanDerWaalsContact CG1-CA 3.49Å; V106-F112 HydrophobicContact CG1-CB 3.66Å; V106-F112 HydrophobicContact CG1-CD2 4.02Å; V106-F112 HydrophobicContact CG1-CG 4.34Å; V106-F112 HydrophobicContact CG2-CD2 4.47Å; V106-L180 HydrophobicContact CB-CD2 3.99Å; V106-L180 HydrophobicContact CG2-CD2 3.69Å
107	G	60.5	Low	67	Low	45 Å²	45	37.1 Å²	37.1	46%	0.464	20%	0.203	S	C	.	.			trans	-85.1	-5.9	-180	0	0	0	0	0	114.1	E111	G107-E111 PolarHBondContact N-OE2 3.48Å; G107-E111 VanDerWaalsContact N-OE2 3.07Å
108	S	66.9	Low	68.3	Low	26 Å²	26	41.8 Å²	41.8	18%	0.182	22%	0.215	C	C	.	.	S	Bend	trans	-148.7	155.4	171.1	66.4	0	0	0	0	112.2	V106 S110 E111 F112 E184	V106-S108 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 2.9Å; S108-S110 PolarHBondContact OG-OG 3.44Å; S108-E111 PolarHBondContact O-N 2.94Å; S108-E111 VanDerWaalsContact O-N 3.14Å; S108-E111 WeakPolarHBondContact OG-CB 3.43Å; S108-E111 WeakPolarHBondContact OG-CG 3.45Å; S108-E111 PolarHBondContact OG-N 3.33Å; S108-F112 PolarHBondContact O-N 3.26Å; S108-E184 VanDerWaalsContact CA-OE2 3.26Å; S108-E184 WeakPolarHBondContact CA-OE2 3.48Å
109	S	68.6	Low	69.6	Low	13 Å²	13	42.7 Å²	42.7	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-53.2	-39.4	168.2	51.1	0	0	0	0	112.4	F112 M113 E184 S246	S109-F112 WeakPolarHBondContact O-CB 3.33Å; S109-F112 PolarHBondContact O-N 3.48Å; S109-M113 VanDerWaalsContact O-CG 3.26Å; S109-M113 WeakPolarHBondContact O-CG 3.42Å; S109-M113 PolarHBondContact O-N 2.85Å; S109-E184 WeakPolarHBondContact CB-O 3.3Å; S109-S246 WeakPolarHBondContact CB-OG 3.36Å; S109-S246 PolarHBondContact OG-OG 3.27Å
110	S	71.3	Confident	70.8	Confident	40 Å²	40	42 Å²	42	28%	0.28	22%	0.215	S	C	.	.	H	α-helix	trans	-64.2	-41.2	176.4	41.5	0	0	0	0	113.4	S108 F112 M113 A114 A249	S108-S110 PolarHBondContact O-N 2.9Å; S108-S110 PolarHBondContact OG-OG 3.44Å; S110-F112 VanDerWaalsContact C-N 3.31Å; S110-M113 PolarHBondContact O-N 3.33Å; S110-A114 WeakPolarHBondContact O-CB 3.23Å; S110-A114 PolarHBondContact O-N 2.8Å; S110-A249 WeakPolarHBondContact O-CB 3.37Å
111	E	75.7	Confident	71.7	Confident	106 Å²	106	45 Å²	45	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-37.4	175.6	-77.2	176.8	168.8	0	0	111.3	G107 S108 A114 A115	G107-E111 PolarHBondContact N-OE2 3.48Å; G107-E111 VanDerWaalsContact N-OE2 3.07Å; S108-E111 PolarHBondContact O-N 2.94Å; S108-E111 VanDerWaalsContact O-N 3.14Å; S108-E111 WeakPolarHBondContact OG-CB 3.43Å; S108-E111 WeakPolarHBondContact OG-CG 3.45Å; S108-E111 PolarHBondContact OG-N 3.33Å; E111-A114 PolarHBondContact O-N 3.1Å; E111-A115 WeakPolarHBondContact O-CB 3.47Å; E111-A115 PolarHBondContact O-N 3.21Å
112	F	76	Confident	72.7	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-47.1	173.7	174.1	-93.4	0	0	0	112.1	F102 V106 S108 S109 S110 A114 A115 W116 L173 M176 L180 L187	F102-F112 HydrophobicContact CE1-CD2 4.38Å; F102-F112 HydrophobicContact CE1-CE2 4.31Å; F102-F112 HydrophobicContact CZ-CD2 4.34Å; F102-F112 HydrophobicContact CZ-CE2 4.01Å; V106-F112 HydrophobicContact CB-CB 4.11Å; V106-F112 VanDerWaalsContact CG1-CA 3.49Å; V106-F112 HydrophobicContact CG1-CB 3.66Å; V106-F112 HydrophobicContact CG1-CD2 4.02Å; V106-F112 HydrophobicContact CG1-CG 4.34Å; V106-F112 HydrophobicContact CG2-CD2 4.47Å; S108-F112 PolarHBondContact O-N 3.26Å; S109-F112 WeakPolarHBondContact O-CB 3.33Å; S109-F112 PolarHBondContact O-N 3.48Å; S110-F112 VanDerWaalsContact C-N 3.31Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 3.29Å; F112-A115 CarbonylContact O-C 3.53Å; F112-A115 PolarHBondContact O-N 3.03Å; F112-W116 HydrophobicContact CE1-CE3 4.25Å; F112-W116 AromaticContact CZ-CE3 3.87Å; F112-W116 HydrophobicContact CZ-CE3 3.87Å; F112-W116 HydrophobicContact CZ-CZ3 4.42Å; F112-W116 WeakPolarHBondContact O-CB 3.24Å; F112-W116 PolarHBondContact O-N 3.44Å; F112-L173 HydrophobicContact CE1-CD1 3.79Å; F112-L173 HydrophobicContact CZ-CD1 4.46Å; F112-M176 HydrophobicContact CE2-CB 4.46Å; F112-M176 HydrophobicContact CE2-CE 4.16Å; F112-M176 HydrophobicContact CE2-CG 3.83Å; F112-M176 HydrophobicContact CE2-SD 4.15Å; F112-M176 HydrophobicContact CZ-CB 3.97Å; F112-M176 HydrophobicContact CZ-CG 3.81Å; F112-M176 HydrophobicContact CZ-SD 4.2Å; F112-L180 HydrophobicContact CB-CD1 3.98Å; F112-L180 HydrophobicContact CB-CD2 3.79Å; F112-L180 HydrophobicContact CB-CG 4.46Å; F112-L180 HydrophobicContact CD1-CD1 3.65Å; F112-L180 HydrophobicContact CD1-CG 4.44Å; F112-L180 HydrophobicContact CD2-CD1 4.12Å; F112-L180 HydrophobicContact CD2-CD2 3.6Å; F112-L180 HydrophobicContact CD2-CG 4.04Å; F112-L180 HydrophobicContact CE1-CD1 4.11Å; F112-L180 HydrophobicContact CE2-CD2 4.31Å; F112-L180 HydrophobicContact CE2-CG 4.37Å; F112-L180 HydrophobicContact CG-CD1 3.64Å; F112-L180 HydrophobicContact CG-CD2 3.74Å; F112-L180 HydrophobicContact CG-CG 4.06Å; F112-L187 HydrophobicContact CE1-CD1 4.19Å
113	M	76.4	Confident	73.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-37.2	179.1	-63.4	-51.9	-84.3	0	0	111.8	S109 S110 W116 R117 L173 F186 L187 S246 A249 L250 V264	S109-M113 VanDerWaalsContact O-CG 3.26Å; S109-M113 WeakPolarHBondContact O-CG 3.42Å; S109-M113 PolarHBondContact O-N 2.85Å; S110-M113 PolarHBondContact O-N 3.33Å; M113-W116 WeakPolarHBondContact O-CB 3.46Å; M113-W116 PolarHBondContact O-N 2.86Å; M113-R117 WeakPolarHBondContact O-CB 3.4Å; M113-R117 PolarHBondContact O-N 3.14Å; M113-L173 HydrophobicContact CE-CD1 3.95Å; M113-L173 HydrophobicContact CE-CD2 3.47Å; M113-L173 VanDerWaalsContact CE-CD2 3.47Å; M113-L173 HydrophobicContact CE-CG 4.31Å; M113-L173 HydrophobicContact SD-CD1 3.82Å; M113-L173 HydrophobicContact SD-CD2 4.26Å; M113-F186 HydrophobicContact CE-CE1 4.35Å; M113-F186 HydrophobicContact CE-CZ 3.7Å; M113-F186 HydrophobicContact CG-CE1 3.8Å; M113-F186 HydrophobicContact CG-CZ 3.96Å; M113-F186 HydrophobicContact SD-CE1 3.8Å; M113-F186 HydrophobicContact SD-CZ 3.76Å; M113-L187 HydrophobicContact CE-CD2 4.49Å; M113-L187 HydrophobicContact SD-CD1 4.05Å; M113-S246 WeakPolarHBondContact CG-O 3.28Å; M113-A249 HydrophobicContact CB-CB 3.89Å; M113-L250 HydrophobicContact CB-CD2 4.05Å; M113-L250 HydrophobicContact CB-CG 4.18Å; M113-L250 HydrophobicContact CE-CD1 3.24Å; M113-L250 HydrophobicContact CE-CD2 3.57Å; M113-L250 HydrophobicContact CE-CG 3.37Å; M113-V264 HydrophobicContact CE-CG2 4.05Å
114	A	78.3	Confident	74.4	Confident	50 Å²	50	53 Å²	53	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-39.2	174.2	0	0	0	0	0	112.1	S110 E111 F112 R118	S110-A114 WeakPolarHBondContact O-CB 3.23Å; S110-A114 PolarHBondContact O-N 2.8Å; E111-A114 PolarHBondContact O-N 3.1Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 3.29Å; A114-R118 PolarHBondContact O-N 3.46Å
115	A	78.4	Confident	75.1	Confident	12 Å²	12	45.8 Å²	45.8	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-48.2	172.6	0	0	0	0	0	110.7	E111 F112 R117 R118 Y119 F135	E111-A115 WeakPolarHBondContact O-CB 3.47Å; E111-A115 PolarHBondContact O-N 3.21Å; F112-A115 CarbonylContact O-C 3.53Å; F112-A115 PolarHBondContact O-N 3.03Å; A115-R117 PolarHBondContact O-N 2.86Å; A115-R118 WeakPolarHBondContact O-CA 3.28Å; A115-R118 VanDerWaalsContact O-CB 3.32Å; A115-R118 WeakPolarHBondContact O-CB 3.31Å; A115-R118 PolarHBondContact O-N 3.25Å; A115-Y119 WeakPolarHBondContact O-CD2 3.29Å; A115-Y119 PolarHBondContact O-N 2.99Å; A115-Y119 VanDerWaalsContact O-N 3.12Å; A115-F135 HydrophobicContact CB-CE2 4.36Å
116	W	78.5	Confident	76.3	Confident	5 Å²	5	46.4 Å²	46.4	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-49.3	-56.2	176.1	-179.6	-80.7	0	0	0	111	F112 M113 R118 Y119 D120 G125 I127 L171 G172 L173 M176	F112-W116 HydrophobicContact CE1-CE3 4.25Å; F112-W116 AromaticContact CZ-CE3 3.87Å; F112-W116 HydrophobicContact CZ-CE3 3.87Å; F112-W116 HydrophobicContact CZ-CZ3 4.42Å; F112-W116 WeakPolarHBondContact O-CB 3.24Å; F112-W116 PolarHBondContact O-N 3.44Å; M113-W116 WeakPolarHBondContact O-CB 3.46Å; M113-W116 PolarHBondContact O-N 2.86Å; W116-R118 PolarHBondContact O-N 3.42Å; W116-R118 VanDerWaalsContact O-N 3.11Å; W116-Y119 PolarHBondContact O-N 3.23Å; W116-D120 PolarHBondContact NE1-OD2 3.47Å; W116-D120 WeakPolarHBondContact O-CB 3.42Å; W116-D120 PolarHBondContact O-N 2.99Å; W116-G125 WeakPolarHBondContact CZ2-O 3.42Å; W116-I127 HydrophobicContact CD2-CD1 4.35Å; W116-I127 HydrophobicContact CD2-CG1 4.04Å; W116-I127 HydrophobicContact CE3-CD1 4.44Å; W116-I127 HydrophobicContact CE3-CG1 3.74Å; W116-I127 HydrophobicContact CH2-CB 4.27Å; W116-I127 HydrophobicContact CH2-CG1 3.54Å; W116-I127 HydrophobicContact CZ2-CG1 3.83Å; W116-I127 HydrophobicContact CZ3-CB 4.38Å; W116-I127 HydrophobicContact CZ3-CG1 3.48Å; W116-I127 VanDerWaalsContact CZ3-CG1 3.48Å; W116-L171 VanDerWaalsContact CH2-O 3.27Å; W116-L171 WeakPolarHBondContact CH2-O 3.36Å; W116-G172 VanDerWaalsContact CH2-C 3.41Å; W116-L173 HydrophobicContact CB-CD1 4.48Å; W116-L173 HydrophobicContact CD2-CD1 3.39Å; W116-L173 HydrophobicContact CE3-CD1 3.63Å; W116-L173 HydrophobicContact CG-CD1 3.77Å; W116-L173 HydrophobicContact CH2-CB 4.07Å; W116-L173 HydrophobicContact CH2-CD1 4.29Å; W116-L173 VanDerWaalsContact CH2-N 3.25Å; W116-L173 HydrophobicContact CZ2-CB 3.92Å; W116-L173 HydrophobicContact CZ2-CD1 4.11Å; W116-L173 HydrophobicContact CZ3-CD1 4.07Å; W116-M176 HydrophobicContact CE3-CB 4.31Å; W116-M176 HydrophobicContact CE3-CG 4.44Å; W116-M176 HydrophobicContact CE3-SD 3.55Å; W116-M176 VanDerWaalsContact CE3-SD 3.55Å; W116-M176 HydrophobicContact CH2-CB 4.43Å; W116-M176 HydrophobicContact CH2-SD 4.47Å; W116-M176 HydrophobicContact CZ3-CB 3.53Å; W116-M176 HydrophobicContact CZ3-CG 3.98Å; W116-M176 HydrophobicContact CZ3-SD 3.29Å; W116-M176 WeakPolarHBondContact CZ3-SD 3.44Å
117	R	80.7	Confident	77.3	Confident	58 Å²	58	46.4 Å²	46.4	22%	0.219	25%	0.248	C	C	.	.	H	α-helix	trans	-56.3	-31.1	178.4	-169	-175	-158.6	-108.9	-18.4	113.6	M113 A115 L250 S251 D252 E260	M113-R117 WeakPolarHBondContact O-CB 3.4Å; M113-R117 PolarHBondContact O-N 3.14Å; A115-R117 PolarHBondContact O-N 2.86Å; R117-L250 HydrophobicContact CB-CD2 4.39Å; R117-L250 VanDerWaalsContact CD-O 3.31Å; R117-L250 WeakPolarHBondContact CD-O 3.43Å; R117-L250 PolarHBondContact NE-O 2.95Å; R117-S251 VanDerWaalsContact CZ-O 3.31Å; R117-S251 PolarHBondContact NE-O 2.92Å; R117-S251 PolarHBondContact NH1-O 2.92Å; R117-D252 VanDerWaalsContact CZ-CA 3.49Å; R117-D252 IonicContact CZ-OD1 3.55Å; R117-D252 IonicContact CZ-OD2 2.97Å; R117-D252 IonicContact NH1-OD1 3.75Å; R117-D252 PolarHBondContact NH1-OD1 3.35Å; R117-D252 IonicContact NH1-OD2 3.44Å; R117-D252 VanDerWaalsContact NH2-CA 3.29Å; R117-D252 IonicContact NH2-OD1 2.76Å; R117-D252 PolarHBondContact NH2-OD1 2.9Å; R117-D252 IonicContact NH2-OD2 3.64Å; R117-D252 PolarHBondContact NH2-OD2 3.47Å; R117-D252 VanDerWaalsContact NH2-OD2 3.1Å; R117-E260 IonicContact CZ-OE1 2.77Å; R117-E260 IonicContact NE-OE1 3.18Å; R117-E260 PolarHBondContact NE-OE1 3.29Å; R117-E260 IonicContact NH2-OE1 3.7Å; R117-E260 PolarHBondContact NH2-OE1 3.43Å
118	R	82.6	Confident	78.6	Confident	176 Å²	176	48.5 Å²	48.5	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-75	-32.2	179.4	176.2	179.2	173.5	133.5	-1.6	112.3	A114 A115 W116	A114-R118 PolarHBondContact O-N 3.46Å; A115-R118 WeakPolarHBondContact O-CA 3.28Å; A115-R118 VanDerWaalsContact O-CB 3.32Å; A115-R118 WeakPolarHBondContact O-CB 3.31Å; A115-R118 PolarHBondContact O-N 3.25Å; W116-R118 PolarHBondContact O-N 3.42Å; W116-R118 VanDerWaalsContact O-N 3.11Å
119	Y	82.9	Confident	79.5	Confident	23 Å²	23	48.7 Å²	48.7	9%	0.09	25%	0.249	C	C	.	.	H	α-helix	trans	-98.9	-26.5	-176.4	-67.1	-76.4	0	0	0	113.6	A115 W116 T121 E131 F135 D138	A115-Y119 WeakPolarHBondContact O-CD2 3.29Å; A115-Y119 PolarHBondContact O-N 2.99Å; A115-Y119 VanDerWaalsContact O-N 3.12Å; W116-Y119 PolarHBondContact O-N 3.23Å; Y119-T121 PolarHBondContact O-N 3.41Å; Y119-E131 WeakPolarHBondContact O-CB 3.27Å; Y119-E131 VanDerWaalsContact O-CG 3.3Å; Y119-E131 WeakPolarHBondContact O-CG 3.29Å; Y119-F135 HydrophobicContact CD1-CB 3.87Å; Y119-F135 HydrophobicContact CD2-CB 3.96Å; Y119-F135 AromaticContact CD2-CD2 3.48Å; Y119-F135 HydrophobicContact CD2-CD2 3.48Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.48Å; Y119-F135 HydrophobicContact CD2-CE2 4.48Å; Y119-F135 HydrophobicContact CD2-CG 4.2Å; Y119-F135 HydrophobicContact CE1-CB 4.03Å; Y119-F135 HydrophobicContact CE2-CB 4.13Å; Y119-F135 AromaticContact CE2-CD2 3.44Å; Y119-F135 HydrophobicContact CE2-CD2 3.44Å; Y119-F135 VanDerWaalsContact CE2-CD2 3.44Å; Y119-F135 HydrophobicContact CE2-CE2 4.29Å; Y119-F135 HydrophobicContact CE2-CG 4.23Å; Y119-F135 HydrophobicContact CG-CB 3.84Å; Y119-F135 HydrophobicContact CG-CD2 4.22Å; Y119-D138 WeakPolarHBondContact OH-CB 3.16Å; Y119-D138 PolarHBondContact OH-OD2 3.38Å
120	D	83.4	Confident	80.3	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.043	28%	0.278	C	S	.	.			trans	-73.6	75.2	166.1	-179.8	4	0	0	0	108.4	W116 D122 R123 S124 G125 I127	W116-D120 PolarHBondContact NE1-OD2 3.47Å; W116-D120 WeakPolarHBondContact O-CB 3.42Å; W116-D120 PolarHBondContact O-N 2.99Å; D120-D122 VanDerWaalsContact C-N 3.32Å; D120-D122 PolarHBondContact O-N 2.82Å; D120-D122 VanDerWaalsContact OD1-OD1 3.14Å; D120-R123 PolarHBondContact O-N 3.45Å; D120-R123 WeakPolarHBondContact OD1-CA 3.22Å; D120-R123 PolarHBondContact OD1-N 2.9Å; D120-S124 PolarHBondContact OD1-N 3.26Å; D120-S124 PolarHBondContact OD1-OG 2.99Å; D120-G125 PolarHBondContact OD1-N 3.39Å; D120-G125 VanDerWaalsContact OD2-CA 3.28Å; D120-G125 WeakPolarHBondContact OD2-CA 3.32Å; D120-G125 PolarHBondContact OD2-N 3.09Å; D120-I127 HydrophobicContact CB-CD1 3.78Å
121	T	79.3	Confident	81.1	Confident	110 Å²	110	53.4 Å²	53.4	68%	0.675	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-30.5	-168	51.8	0	0	0	0	112.5	Y119 E131	Y119-T121 PolarHBondContact O-N 3.41Å; T121-E131 PolarHBondContact N-OE1 2.9Å; T121-E131 PolarHBondContact OG1-OE1 2.81Å
122	D	80.6	Confident	81.4	Confident	90 Å²	90	48.3 Å²	48.3	48%	0.481	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.5	178.1	71.7	-9	0	0	0	113.1	D120 S124	D120-D122 VanDerWaalsContact C-N 3.32Å; D120-D122 PolarHBondContact O-N 2.82Å; D120-D122 VanDerWaalsContact OD1-OD1 3.14Å; D122-S124 PolarHBondContact O-N 2.76Å; D122-S124 WeakPolarHBondContact OD1-CB 3.46Å; D122-S124 PolarHBondContact OD1-N 3.23Å; D122-S124 PolarHBondContact OD1-OG 3.33Å
123	R	76.3	Confident	81.9	Confident	110 Å²	110	51.4 Å²	51.4	42%	0.415	26%	0.259	S	S	.	.			trans	56.4	32.3	-176.6	-53.3	-177.1	-176.3	-167.5	-1	111.6	D120 G125 D252 E260	D120-R123 PolarHBondContact O-N 3.45Å; D120-R123 WeakPolarHBondContact OD1-CA 3.22Å; D120-R123 PolarHBondContact OD1-N 2.9Å; R123-G125 PolarHBondContact O-N 3.06Å; R123-D252 IonicContact CZ-OD2 3.55Å; R123-D252 IonicContact NH1-OD2 2.8Å; R123-D252 IonicContact NH2-OD2 3.96Å; R123-D252 PolarHBondContact NH2-OD2 3.03Å; R123-E260 IonicContact NH1-OE1 2.78Å
124	S	80.8	Confident	82.2	Confident	47 Å²	47	52.9 Å²	52.9	33%	0.329	27%	0.274	S	S	.	.			trans	-68.1	-20	176.4	62.2	0	0	0	0	112	D120 D122 Y126	D120-S124 PolarHBondContact OD1-N 3.26Å; D120-S124 PolarHBondContact OD1-OG 2.99Å; D122-S124 PolarHBondContact O-N 2.76Å; D122-S124 WeakPolarHBondContact OD1-CB 3.46Å; D122-S124 PolarHBondContact OD1-N 3.23Å; D122-S124 PolarHBondContact OD1-OG 3.33Å; S124-Y126 VanDerWaalsContact C-N 3.28Å; S124-Y126 VanDerWaalsContact O-CD2 3.29Å; S124-Y126 WeakPolarHBondContact O-CD2 3.46Å; S124-Y126 PolarHBondContact OG-N 3.39Å; S124-Y126 PolarHBondContact OG-O 3.23Å
125	G	77.9	Confident	82.3	Confident	5 Å²	5	50.7 Å²	50.7	5%	0.052	26%	0.255	C	S	.	.	S	Bend	trans	81.9	11.2	-172.7	0	0	0	0	0	113.7	W116 D120 R123	W116-G125 WeakPolarHBondContact CZ2-O 3.42Å; D120-G125 PolarHBondContact OD1-N 3.39Å; D120-G125 VanDerWaalsContact OD2-CA 3.28Å; D120-G125 WeakPolarHBondContact OD2-CA 3.32Å; D120-G125 PolarHBondContact OD2-N 3.09Å; R123-G125 PolarHBondContact O-N 3.06Å
126	Y	84.3	Confident	82.3	Confident	48 Å²	48	50.1 Å²	50.1	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.6	175.8	-59.4	-89.3	0	0	0	109.2	S124 K170 L171 E268	S124-Y126 VanDerWaalsContact C-N 3.28Å; S124-Y126 VanDerWaalsContact O-CD2 3.29Å; S124-Y126 WeakPolarHBondContact O-CD2 3.46Å; S124-Y126 PolarHBondContact OG-N 3.39Å; S124-Y126 PolarHBondContact OG-O 3.23Å; Y126-K170 HydrophobicContact CD1-CD 3.61Å; Y126-K170 VanDerWaalsContact CD1-CE 3.43Å; Y126-K170 HydrophobicContact CD1-CG 3.92Å; Y126-K170 HydrophobicContact CD2-CD 4.12Å; Y126-K170 HydrophobicContact CE1-CD 4.31Å; Y126-K170 VanDerWaalsContact CE2-NZ 3.29Å; Y126-K170 HydrophobicContact CG-CD 3.52Å; Y126-K170 HydrophobicContact CG-CG 4.18Å; Y126-L171 CarbonylContact C-O 3.59Å; Y126-L171 VanDerWaalsContact CA-O 3.31Å; Y126-L171 WeakPolarHBondContact CA-O 3.46Å; Y126-E268 PolarHBondContact OH-OE2 3.29Å; Y126-E268 VanDerWaalsContact OH-OE2 3.09Å
127	I	84.3	Confident	82.5	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.6	170.8	-63.9	-67.3	0	0	0	107.6	W116 D120 E131 L132 L171 M176	W116-I127 HydrophobicContact CD2-CD1 4.35Å; W116-I127 HydrophobicContact CD2-CG1 4.04Å; W116-I127 HydrophobicContact CE3-CD1 4.44Å; W116-I127 HydrophobicContact CE3-CG1 3.74Å; W116-I127 HydrophobicContact CH2-CB 4.27Å; W116-I127 HydrophobicContact CH2-CG1 3.54Å; W116-I127 HydrophobicContact CZ2-CG1 3.83Å; W116-I127 HydrophobicContact CZ3-CB 4.38Å; W116-I127 HydrophobicContact CZ3-CG1 3.48Å; W116-I127 VanDerWaalsContact CZ3-CG1 3.48Å; D120-I127 HydrophobicContact CB-CD1 3.78Å; I127-E131 HydrophobicContact CG2-CB 3.99Å; I127-L132 HydrophobicContact CG2-CB 3.8Å; I127-L132 HydrophobicContact CG2-CD1 4.43Å; I127-L171 HydrophobicContact CB-CB 4.41Å; I127-L171 PolarHBondContact N-O 3.04Å; I127-L171 PolarHBondContact O-N 2.87Å; I127-M176 HydrophobicContact CG1-SD 4.19Å
128	E	87.3	Confident	82.4	Confident	89 Å²	89	50.3 Å²	50.3	42%	0.416	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	164.4	176.1	-62.9	-172.7	169.9	0	0	111.7	N130 E131 L132	E128-N130 PolarHBondContact O-N 3.19Å; E128-N130 VanDerWaalsContact O-N 3.1Å; E128-E131 PolarHBondContact N-OE2 2.88Å; E128-E131 PolarHBondContact O-N 3.39Å; E128-L132 WeakPolarHBondContact O-CB 3.28Å; E128-L132 PolarHBondContact O-N 3.13Å
129	A	85.4	Confident	82.1	Confident	30 Å²	30	42 Å²	42	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-51.9	-37.1	178.2	0	0	0	0	0	113.9	K133 T156 L160	A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 2.85Å; A129-T156 HydrophobicContact CB-CG2 4.18Å; A129-T156 WeakPolarHBondContact O-CG2 3.43Å; A129-L160 HydrophobicContact CB-CD1 3.76Å
130	N	85.3	Confident	81.7	Confident	129 Å²	129	41 Å²	41	69%	0.69	22%	0.223	S	C	*	.	H	α-helix	trans	-71	-40.4	179.3	-68.7	-38	0	0	0	112.2	E128 K133 G134	E128-N130 PolarHBondContact O-N 3.19Å; E128-N130 VanDerWaalsContact O-N 3.1Å; N130-K133 WeakPolarHBondContact O-CB 3.35Å; N130-K133 PolarHBondContact O-N 3.46Å; N130-G134 PolarHBondContact O-N 3.31Å; N130-G134 VanDerWaalsContact O-N 3.16Å
131	E	87.8	Confident	81.5	Confident	22 Å²	22	46.3 Å²	46.3	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-41.1	177.7	-66	178.8	135.9	0	0	110.8	Y119 T121 I127 E128 K133 G134 F135	Y119-E131 WeakPolarHBondContact O-CB 3.27Å; Y119-E131 VanDerWaalsContact O-CG 3.3Å; Y119-E131 WeakPolarHBondContact O-CG 3.29Å; T121-E131 PolarHBondContact N-OE1 2.9Å; T121-E131 PolarHBondContact OG1-OE1 2.81Å; I127-E131 HydrophobicContact CG2-CB 3.99Å; E128-E131 PolarHBondContact N-OE2 2.88Å; E128-E131 PolarHBondContact O-N 3.39Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.45Å; E131-G134 WeakPolarHBondContact O-CA 3.46Å; E131-G134 PolarHBondContact O-N 3.21Å; E131-G134 VanDerWaalsContact O-N 3.11Å; E131-F135 PolarHBondContact O-N 2.99Å
132	L	83.4	Confident	81.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-43.9	172	-174.2	56.5	0	0	0	110.9	I127 E128 G134 F135 L136 T156 I159 L160 L171	I127-L132 HydrophobicContact CG2-CB 3.8Å; I127-L132 HydrophobicContact CG2-CD1 4.43Å; E128-L132 WeakPolarHBondContact O-CB 3.28Å; E128-L132 PolarHBondContact O-N 3.13Å; L132-G134 VanDerWaalsContact C-N 3.27Å; L132-G134 PolarHBondContact O-N 3.24Å; L132-F135 HydrophobicContact CD1-CD1 4.27Å; L132-F135 WeakPolarHBondContact O-CB 3.37Å; L132-F135 PolarHBondContact O-N 2.8Å; L132-L136 HydrophobicContact CD1-CD1 4.33Å; L132-L136 HydrophobicContact CD1-CD2 4.49Å; L132-L136 HydrophobicContact CD1-CG 4.15Å; L132-L136 HydrophobicContact CG-CD1 3.98Å; L132-L136 HydrophobicContact CG-CG 4.26Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 2.75Å; L132-T156 HydrophobicContact CB-CG2 4.29Å; L132-T156 HydrophobicContact CD2-CG2 4.01Å; L132-T156 HydrophobicContact CG-CG2 4.25Å; L132-I159 HydrophobicContact CD1-CD1 4.32Å; L132-I159 HydrophobicContact CD1-CG2 4.41Å; L132-I159 HydrophobicContact CD2-CB 4.03Å; L132-I159 HydrophobicContact CD2-CG2 3.93Å; L132-L160 HydrophobicContact CD2-CD2 4.32Å; L132-L160 HydrophobicContact CD2-CG 4.01Å; L132-L171 HydrophobicContact CD1-CD1 4.22Å; L132-L171 HydrophobicContact CD2-CD1 3.79Å
133	K	84.8	Confident	80.4	Confident	66 Å²	66	45.8 Å²	45.8	29%	0.287	24%	0.236	S	C	.	.	H	α-helix	trans	-56.9	-42.3	175.3	-166.7	-178.1	176.5	-176.5	0	111.5	A129 N130 E131 S137 D149 L152	A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 2.85Å; N130-K133 WeakPolarHBondContact O-CB 3.35Å; N130-K133 PolarHBondContact O-N 3.46Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.45Å; K133-S137 WeakPolarHBondContact O-CB 3.35Å; K133-S137 PolarHBondContact O-N 3.19Å; K133-D149 WeakPolarHBondContact CE-OD1 3.08Å; K133-D149 IonicContact NZ-OD1 3.45Å; K133-D149 PolarHBondContact NZ-OD1 2.95Å; K133-L152 HydrophobicContact CD-CD2 4.22Å; K133-L152 HydrophobicContact CD-CG 4.48Å; K133-L152 HydrophobicContact CG-CD2 3.65Å; K133-L152 HydrophobicContact CG-CG 3.76Å
134	G	83.3	Confident	80.2	Confident	31 Å²	31	47.9 Å²	47.9	32%	0.32	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-49.2	175	0	0	0	0	0	112.6	N130 E131 L132 L136 S137 D138	N130-G134 PolarHBondContact O-N 3.31Å; N130-G134 VanDerWaalsContact O-N 3.16Å; E131-G134 WeakPolarHBondContact O-CA 3.46Å; E131-G134 PolarHBondContact O-N 3.21Å; E131-G134 VanDerWaalsContact O-N 3.11Å; L132-G134 VanDerWaalsContact C-N 3.27Å; L132-G134 PolarHBondContact O-N 3.24Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.37Å; G134-S137 WeakPolarHBondContact O-CB 3.4Å; G134-S137 PolarHBondContact O-N 3.41Å; G134-D138 PolarHBondContact O-N 2.88Å; G134-D138 VanDerWaalsContact O-N 3.12Å
135	F	80.4	Confident	79.7	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-54.9	-48.8	175.4	171.3	-87.4	0	0	0	111.7	F102 F105 A115 Y119 E131 L132 S137 D138 L139 M176	F102-F135 AromaticContact CD2-CE1 3.47Å; F102-F135 HydrophobicContact CD2-CE1 3.47Å; F102-F135 VanDerWaalsContact CD2-CE1 3.47Å; F102-F135 AromaticContact CD2-CZ 3.75Å; F102-F135 HydrophobicContact CD2-CZ 3.75Å; F102-F135 HydrophobicContact CE2-CD1 4.19Å; F102-F135 AromaticContact CE2-CE1 3.11Å; F102-F135 HydrophobicContact CE2-CE1 3.11Å; F102-F135 HydrophobicContact CE2-CE2 4.42Å; F102-F135 AromaticContact CE2-CZ 3.25Å; F102-F135 HydrophobicContact CE2-CZ 3.25Å; F102-F135 HydrophobicContact CZ-CE1 4.13Å; F102-F135 AromaticContact CZ-CZ 3.85Å; F102-F135 HydrophobicContact CZ-CZ 3.85Å; F105-F135 HydrophobicContact CD1-CE2 4.34Å; F105-F135 HydrophobicContact CD1-CZ 4.36Å; F105-F135 HydrophobicContact CE1-CE2 4.22Å; A115-F135 HydrophobicContact CB-CE2 4.36Å; Y119-F135 HydrophobicContact CD1-CB 3.87Å; Y119-F135 HydrophobicContact CD2-CB 3.96Å; Y119-F135 AromaticContact CD2-CD2 3.48Å; Y119-F135 HydrophobicContact CD2-CD2 3.48Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.48Å; Y119-F135 HydrophobicContact CD2-CE2 4.48Å; Y119-F135 HydrophobicContact CD2-CG 4.2Å; Y119-F135 HydrophobicContact CE1-CB 4.03Å; Y119-F135 HydrophobicContact CE2-CB 4.13Å; Y119-F135 AromaticContact CE2-CD2 3.44Å; Y119-F135 HydrophobicContact CE2-CD2 3.44Å; Y119-F135 VanDerWaalsContact CE2-CD2 3.44Å; Y119-F135 HydrophobicContact CE2-CE2 4.29Å; Y119-F135 HydrophobicContact CE2-CG 4.23Å; Y119-F135 HydrophobicContact CG-CB 3.84Å; Y119-F135 HydrophobicContact CG-CD2 4.22Å; E131-F135 PolarHBondContact O-N 2.99Å; L132-F135 HydrophobicContact CD1-CD1 4.27Å; L132-F135 WeakPolarHBondContact O-CB 3.37Å; L132-F135 PolarHBondContact O-N 2.8Å; F135-S137 PolarHBondContact O-N 3.05Å; F135-D138 PolarHBondContact O-N 3Å; F135-L139 HydrophobicContact CE1-CB 4.47Å; F135-L139 HydrophobicContact CE1-CD1 3.55Å; F135-L139 HydrophobicContact CZ-CD1 3.57Å; F135-L139 WeakPolarHBondContact O-CB 3.39Å; F135-L139 PolarHBondContact O-N 2.94Å; F135-M176 HydrophobicContact CD1-CE 4.23Å; F135-M176 HydrophobicContact CD2-CE 4.41Å; F135-M176 HydrophobicContact CE1-CE 4.13Å; F135-M176 HydrophobicContact CE2-CE 4.28Å; F135-M176 HydrophobicContact CG-CE 4.41Å; F135-M176 HydrophobicContact CZ-CE 4.14Å
136	L	78	Confident	79.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-39.7	-178.4	-66.6	174.3	0	0	0	112.7	F98 L132 G134 D138 L139 L140 L152 T156 I159	F98-L136 HydrophobicContact CE1-CD2 4.37Å; F98-L136 HydrophobicContact CE2-CD2 3.31Å; F98-L136 HydrophobicContact CZ-CD2 3.18Å; L132-L136 HydrophobicContact CD1-CD1 4.33Å; L132-L136 HydrophobicContact CD1-CD2 4.49Å; L132-L136 HydrophobicContact CD1-CG 4.15Å; L132-L136 HydrophobicContact CG-CD1 3.98Å; L132-L136 HydrophobicContact CG-CG 4.26Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 2.75Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.37Å; L136-D138 VanDerWaalsContact C-N 3.34Å; L136-D138 PolarHBondContact O-N 3.13Å; L136-L139 PolarHBondContact O-N 2.84Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 VanDerWaalsContact O-CG 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.01Å; L136-L140 PolarHBondContact O-N 3.02Å; L136-L152 HydrophobicContact CB-CD1 3.49Å; L136-L152 VanDerWaalsContact CB-CD1 3.49Å; L136-L152 HydrophobicContact CD1-CD1 4.46Å; L136-T156 WeakPolarHBondContact CD1-OG1 3.48Å; L136-I159 HydrophobicContact CD1-CD1 3.74Å; L136-I159 HydrophobicContact CD2-CD1 3.37Å; L136-I159 HydrophobicContact CG-CD1 4.08Å
137	S	82.9	Confident	79	Confident	18 Å²	18	58.1 Å²	58.1	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-50.2	174.1	149.7	0	0	0	0	110.7	K133 G134 F135 L139 L140 K141 Y147	K133-S137 WeakPolarHBondContact O-CB 3.35Å; K133-S137 PolarHBondContact O-N 3.19Å; G134-S137 WeakPolarHBondContact O-CB 3.4Å; G134-S137 PolarHBondContact O-N 3.41Å; F135-S137 PolarHBondContact O-N 3.05Å; S137-L139 VanDerWaalsContact C-N 3.33Å; S137-L139 PolarHBondContact O-N 3.39Å; S137-L140 PolarHBondContact O-N 2.99Å; S137-K141 WeakPolarHBondContact O-CB 3.22Å; S137-K141 VanDerWaalsContact O-CG 3.25Å; S137-K141 WeakPolarHBondContact O-CG 3.48Å; S137-K141 PolarHBondContact O-N 3.35Å; S137-K141 VanDerWaalsContact OG-CE 3.31Å; S137-K141 WeakPolarHBondContact OG-CE 3Å; S137-K141 PolarHBondContact OG-NZ 3.38Å; S137-K141 VanDerWaalsContact OG-NZ 3.14Å; S137-Y147 WeakPolarHBondContact CB-OH 3.17Å; S137-Y147 PolarHBondContact O-OH 3.33Å; S137-Y147 PolarHBondContact OG-OH 3.07Å
138	D	79.9	Confident	78.9	Confident	49 Å²	49	61.6 Å²	61.6	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-70.1	-32.9	-177.5	-77.8	3.1	0	0	0	112.4	Y119 G134 F135 L136 K141 K142	Y119-D138 WeakPolarHBondContact OH-CB 3.16Å; Y119-D138 PolarHBondContact OH-OD2 3.38Å; G134-D138 PolarHBondContact O-N 2.88Å; G134-D138 VanDerWaalsContact O-N 3.12Å; F135-D138 PolarHBondContact O-N 3Å; L136-D138 VanDerWaalsContact C-N 3.34Å; L136-D138 PolarHBondContact O-N 3.13Å; D138-K141 IonicContact OD1-NZ 3.17Å; D138-K141 PolarHBondContact OD1-NZ 3.26Å; D138-K141 VanDerWaalsContact OD1-NZ 3.17Å; D138-K142 WeakPolarHBondContact O-CB 3.4Å; D138-K142 PolarHBondContact O-N 3.32Å
139	L	75.3	Confident	78.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-49.2	173.3	-170.6	141	0	0	0	112.4	F98 C101 F102 F105 F135 L136 S137 K142 A143	F98-L139 HydrophobicContact CE2-CD2 4.22Å; C101-L139 HydrophobicContact CB-CD2 3.61Å; F102-L139 HydrophobicContact CB-CD1 4.41Å; F102-L139 HydrophobicContact CD2-CD1 4.03Å; F102-L139 HydrophobicContact CG-CD1 4.43Å; F105-L139 HydrophobicContact CB-CD1 3.5Å; F105-L139 HydrophobicContact CB-CG 3.87Å; F105-L139 HydrophobicContact CD1-CD1 3.99Å; F105-L139 HydrophobicContact CD2-CB 4.18Å; F105-L139 HydrophobicContact CD2-CD1 4.15Å; F105-L139 HydrophobicContact CD2-CG 3.85Å; F105-L139 HydrophobicContact CE2-CB 4.4Å; F105-L139 HydrophobicContact CG-CB 4.46Å; F105-L139 HydrophobicContact CG-CD1 3.63Å; F105-L139 HydrophobicContact CG-CG 3.86Å; F135-L139 HydrophobicContact CE1-CB 4.47Å; F135-L139 HydrophobicContact CE1-CD1 3.55Å; F135-L139 HydrophobicContact CZ-CD1 3.57Å; F135-L139 WeakPolarHBondContact O-CB 3.39Å; F135-L139 PolarHBondContact O-N 2.94Å; L136-L139 PolarHBondContact O-N 2.84Å; S137-L139 VanDerWaalsContact C-N 3.33Å; S137-L139 PolarHBondContact O-N 3.39Å; L139-K142 PolarHBondContact O-N 3.38Å; L139-A143 WeakPolarHBondContact O-CB 3.34Å; L139-A143 PolarHBondContact O-N 3.46Å
140	L	74.9	Confident	78.4	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-66.6	-37.1	179.6	-69.5	169.1	0	0	0	112.1	F98 L136 S137 A143 N144 R145 Y147 L152 Y155	F98-L140 HydrophobicContact CD2-CD2 4.33Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 VanDerWaalsContact O-CG 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.01Å; L136-L140 PolarHBondContact O-N 3.02Å; S137-L140 PolarHBondContact O-N 2.99Å; L140-A143 CarbonylContact O-C 3.59Å; L140-A143 PolarHBondContact O-N 3.47Å; L140-N144 PolarHBondContact O-N 2.51Å; L140-R145 HydrophobicContact CD2-CB 4.24Å; L140-R145 PolarHBondContact O-N 3.3Å; L140-Y147 HydrophobicContact CB-CD1 3.47Å; L140-Y147 VanDerWaalsContact CB-CD1 3.47Å; L140-Y147 HydrophobicContact CB-CE1 3.7Å; L140-Y147 HydrophobicContact CB-CG 4.26Å; L140-Y147 HydrophobicContact CD1-CD1 3.87Å; L140-Y147 HydrophobicContact CD1-CD2 4.37Å; L140-Y147 HydrophobicContact CD1-CE1 4.5Å; L140-Y147 HydrophobicContact CD1-CG 3.79Å; L140-Y147 HydrophobicContact CG-CD1 4.31Å; L140-L152 HydrophobicContact CD1-CD1 4.07Å; L140-Y155 HydrophobicContact CD1-CD2 3.86Å; L140-Y155 HydrophobicContact CD1-CE2 3.84Å; L140-Y155 HydrophobicContact CD2-CE2 4.3Å
141	K	78.6	Confident	78	Confident	119 Å²	119	65.9 Å²	65.9	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-47.1	170.9	-74.5	173.6	-161.5	160.8	0	111.4	S137 D138 A143 N144 Y147	S137-K141 WeakPolarHBondContact O-CB 3.22Å; S137-K141 VanDerWaalsContact O-CG 3.25Å; S137-K141 WeakPolarHBondContact O-CG 3.48Å; S137-K141 PolarHBondContact O-N 3.35Å; S137-K141 VanDerWaalsContact OG-CE 3.31Å; S137-K141 WeakPolarHBondContact OG-CE 3Å; S137-K141 PolarHBondContact OG-NZ 3.38Å; S137-K141 VanDerWaalsContact OG-NZ 3.14Å; D138-K141 IonicContact OD1-NZ 3.17Å; D138-K141 PolarHBondContact OD1-NZ 3.26Å; D138-K141 VanDerWaalsContact OD1-NZ 3.17Å; K141-A143 VanDerWaalsContact C-N 3.31Å; K141-A143 PolarHBondContact O-N 2.9Å; K141-N144 PolarHBondContact O-N 3.45Å; K141-Y147 WeakPolarHBondContact CE-OH 3.13Å; K141-Y147 HydrophobicContact CG-CE1 4.05Å
142	K	71.5	Confident	77.7	Confident	153 Å²	153	65.1 Å²	65.1	67%	0.665	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-34.7	179.9	-164.8	-177.5	-179.7	-172.7	0	112	F105 D138 L139 N144	F105-K142 HydrophobicContact CD2-CB 4.08Å; F105-K142 HydrophobicContact CD2-CD 3.43Å; F105-K142 VanDerWaalsContact CD2-CD 3.43Å; F105-K142 HydrophobicContact CD2-CG 4.33Å; F105-K142 HydrophobicContact CE2-CB 3.84Å; F105-K142 HydrophobicContact CE2-CD 3.23Å; F105-K142 HydrophobicContact CE2-CG 4.18Å; F105-K142 HydrophobicContact CZ-CD 4.26Å; D138-K142 WeakPolarHBondContact O-CB 3.4Å; D138-K142 PolarHBondContact O-N 3.32Å; L139-K142 PolarHBondContact O-N 3.38Å; K142-N144 PolarHBondContact O-N 2.96Å
143	A	66.1	Low	77.7	Confident	36 Å²	36	70 Å²	70	30%	0.298	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	2.3	173.1	0	0	0	0	0	113.7	C101 L139 L140 K141 R145	C101-A143 HydrophobicContact CB-CB 4.33Å; L139-A143 WeakPolarHBondContact O-CB 3.34Å; L139-A143 PolarHBondContact O-N 3.46Å; L140-A143 CarbonylContact O-C 3.59Å; L140-A143 PolarHBondContact O-N 3.47Å; K141-A143 VanDerWaalsContact C-N 3.31Å; K141-A143 PolarHBondContact O-N 2.9Å; A143-R145 HydrophobicContact CB-CG 4.08Å; A143-R145 PolarHBondContact O-N 3.38Å
144	N	71.6	Confident	77.3	Confident	154 Å²	154	71 Å²	71	82%	0.824	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.3	-176.1	-162.3	45.6	0	0	0	113	L140 K141 K142	L140-N144 PolarHBondContact O-N 2.51Å; K141-N144 PolarHBondContact O-N 3.45Å; K142-N144 PolarHBondContact O-N 2.96Å
145	R	70.3	Confident	77	Confident	81 Å²	81	70.8 Å²	70.8	31%	0.306	34%	0.339	S	S	.	.			trans	-97.6	134.4	178.6	-69.8	-168.8	176.4	-159.6	-0.5	110.5	C101 L140 A143 Y147	C101-R145 PolarHBondContact SG-NE 3.14Å; C101-R145 PolarHBondContact SG-NH2 2.94Å; C101-R145 VanDerWaalsContact SG-NH2 3.44Å; L140-R145 HydrophobicContact CD2-CB 4.24Å; L140-R145 PolarHBondContact O-N 3.3Å; A143-R145 HydrophobicContact CB-CG 4.08Å; A143-R145 PolarHBondContact O-N 3.38Å; R145-Y147 WeakPolarHBondContact O-CD1 3.24Å
146	H	72.4	Confident	77	Confident	182 Å²	182	70.8 Å²	70.8	84%	0.843	34%	0.339	S	S	*	.			trans	-75.3	130	170.1	-164.5	-77.3	0	0	0	109.3
147	Y	75.3	Confident	77.1	Confident	53 Å²	53	74.2 Å²	74.2	21%	0.208	36%	0.355	C	S	.	.			trans	-139.6	156	174.8	65.1	-87.7	0	0	0	109.6	S137 L140 K141 R145 L152	S137-Y147 WeakPolarHBondContact CB-OH 3.17Å; S137-Y147 PolarHBondContact O-OH 3.33Å; S137-Y147 PolarHBondContact OG-OH 3.07Å; L140-Y147 HydrophobicContact CB-CD1 3.47Å; L140-Y147 VanDerWaalsContact CB-CD1 3.47Å; L140-Y147 HydrophobicContact CB-CE1 3.7Å; L140-Y147 HydrophobicContact CB-CG 4.26Å; L140-Y147 HydrophobicContact CD1-CD1 3.87Å; L140-Y147 HydrophobicContact CD1-CD2 4.37Å; L140-Y147 HydrophobicContact CD1-CE1 4.5Å; L140-Y147 HydrophobicContact CD1-CG 3.79Å; L140-Y147 HydrophobicContact CG-CD1 4.31Å; K141-Y147 WeakPolarHBondContact CE-OH 3.13Å; K141-Y147 HydrophobicContact CG-CE1 4.05Å; R145-Y147 WeakPolarHBondContact O-CD1 3.24Å; Y147-L152 HydrophobicContact CD2-CB 4.14Å; Y147-L152 HydrophobicContact CD2-CD2 4.24Å; Y147-L152 HydrophobicContact CE2-CD2 3.86Å
148	D	81.8	Confident	76.8	Confident	75 Å²	75	73.8 Å²	73.8	40%	0.401	35%	0.352	S	S	.	.			trans	-113	171.1	170.3	57.7	42.9	0	0	0	109.4	Q150 K151 L152	D148-Q150 PolarHBondContact O-N 2.94Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.5Å; D148-Q150 PolarHBondContact OD1-N 2.75Å; D148-Q150 VanDerWaalsContact OD1-N 3.11Å; D148-K151 PolarHBondContact O-N 2.99Å; D148-K151 WeakPolarHBondContact OD1-CB 3.39Å; D148-K151 WeakPolarHBondContact OD1-CG 3.17Å; D148-K151 PolarHBondContact OD1-N 2.67Å; D148-L152 WeakPolarHBondContact O-CB 3.32Å; D148-L152 PolarHBondContact O-N 2.93Å
149	D	82.4	Confident	76.6	Confident	110 Å²	110	71.5 Å²	71.5	59%	0.588	34%	0.34	S	S	*	.	H	α-helix	trans	-62.5	-28.4	-179.7	-96.7	-43.7	0	0	0	113.1	K133 H153	K133-D149 WeakPolarHBondContact CE-OD1 3.08Å; K133-D149 IonicContact NZ-OD1 3.45Å; K133-D149 PolarHBondContact NZ-OD1 2.95Å; D149-H153 WeakPolarHBondContact O-CB 3.45Å; D149-H153 PolarHBondContact O-N 2.87Å
150	Q	81.4	Confident	76.8	Confident	132 Å²	132	72 Å²	72	62%	0.617	34%	0.342	S	S	*	.	H	α-helix	trans	-72.7	-50.2	-179	-176.9	-179	-24.3	0	0	110.7	D148 L152 H153 E154	D148-Q150 PolarHBondContact O-N 2.94Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.5Å; D148-Q150 PolarHBondContact OD1-N 2.75Å; D148-Q150 VanDerWaalsContact OD1-N 3.11Å; Q150-L152 VanDerWaalsContact C-N 3.27Å; Q150-L152 PolarHBondContact O-N 3.32Å; Q150-H153 WeakPolarHBondContact O-CB 3.23Å; Q150-H153 PolarHBondContact O-N 3.42Å; Q150-H153 VanDerWaalsContact O-N 3.14Å; Q150-E154 PolarHBondContact NE2-OE1 3.35Å; Q150-E154 WeakPolarHBondContact O-CG 3.38Å; Q150-E154 PolarHBondContact O-N 2.97Å
151	K	76.2	Confident	76.8	Confident	96 Å²	96	78.5 Å²	78.5	42%	0.417	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-41.1	174.2	-73.8	-174	178.5	-166.4	0	111.5	D148 H153 E154 Y155	D148-K151 PolarHBondContact O-N 2.99Å; D148-K151 WeakPolarHBondContact OD1-CB 3.39Å; D148-K151 WeakPolarHBondContact OD1-CG 3.17Å; D148-K151 PolarHBondContact OD1-N 2.67Å; K151-H153 VanDerWaalsContact C-N 3.3Å; K151-H153 PolarHBondContact O-N 3.13Å; K151-E154 PolarHBondContact O-N 2.8Å; K151-Y155 HydrophobicContact CB-CE2 4.41Å; K151-Y155 WeakPolarHBondContact O-CD2 3.47Å; K151-Y155 PolarHBondContact O-N 3.15Å
152	L	80.8	Confident	76.3	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-41.9	177	-173.9	60.9	0	0	0	111.2	K133 L136 L140 Y147 D148 Q150 Y155 T156	K133-L152 HydrophobicContact CD-CD2 4.22Å; K133-L152 HydrophobicContact CD-CG 4.48Å; K133-L152 HydrophobicContact CG-CD2 3.65Å; K133-L152 HydrophobicContact CG-CG 3.76Å; L136-L152 HydrophobicContact CB-CD1 3.49Å; L136-L152 VanDerWaalsContact CB-CD1 3.49Å; L136-L152 HydrophobicContact CD1-CD1 4.46Å; L140-L152 HydrophobicContact CD1-CD1 4.07Å; Y147-L152 HydrophobicContact CD2-CB 4.14Å; Y147-L152 HydrophobicContact CD2-CD2 4.24Å; Y147-L152 HydrophobicContact CE2-CD2 3.86Å; D148-L152 WeakPolarHBondContact O-CB 3.32Å; D148-L152 PolarHBondContact O-N 2.93Å; Q150-L152 VanDerWaalsContact C-N 3.27Å; Q150-L152 PolarHBondContact O-N 3.32Å; L152-Y155 PolarHBondContact O-N 2.8Å; L152-T156 PolarHBondContact O-N 3.14Å; L152-T156 PolarHBondContact O-OG1 2.83Å
153	H	82.9	Confident	76.3	Confident	102 Å²	102	66.5 Å²	66.5	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-43.9	173.7	-178.2	73.4	0	0	0	112.4	D149 Q150 K151 Y155 T156 Q157	D149-H153 WeakPolarHBondContact O-CB 3.45Å; D149-H153 PolarHBondContact O-N 2.87Å; Q150-H153 WeakPolarHBondContact O-CB 3.23Å; Q150-H153 PolarHBondContact O-N 3.42Å; Q150-H153 VanDerWaalsContact O-N 3.14Å; K151-H153 VanDerWaalsContact C-N 3.3Å; K151-H153 PolarHBondContact O-N 3.13Å; H153-Y155 VanDerWaalsContact C-N 3.31Å; H153-Y155 PolarHBondContact O-N 3.09Å; H153-T156 PolarHBondContact O-N 3.01Å; H153-Q157 WeakPolarHBondContact O-CG 3.45Å; H153-Q157 PolarHBondContact O-N 3.13Å
154	E	78.4	Confident	77	Confident	87 Å²	87	66 Å²	66	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-42.4	175.6	-73.7	169.4	-169.9	0	0	111.2	Q150 K151 Q157 T158	Q150-E154 PolarHBondContact NE2-OE1 3.35Å; Q150-E154 WeakPolarHBondContact O-CG 3.38Å; Q150-E154 PolarHBondContact O-N 2.97Å; K151-E154 PolarHBondContact O-N 2.8Å; E154-Q157 PolarHBondContact O-N 3.03Å; E154-T158 WeakPolarHBondContact O-CB 3.02Å; E154-T158 PolarHBondContact O-N 2.84Å; E154-T158 PolarHBondContact O-OG1 3.01Å
155	Y	76.1	Confident	77	Confident	27 Å²	27	62.1 Å²	62.1	11%	0.106	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-45.7	174.5	-61.5	-22.3	0	0	0	112.3	E96 F98 L140 K151 L152 H153 Q157 T158 I159	E96-Y155 HydrophobicContact CG-CE1 4Å; E96-Y155 VanDerWaalsContact OE1-CE1 3.23Å; E96-Y155 WeakPolarHBondContact OE1-CE1 2.9Å; E96-Y155 WeakPolarHBondContact OE2-CD1 3.43Å; E96-Y155 VanDerWaalsContact OE2-CE1 3.24Å; E96-Y155 WeakPolarHBondContact OE2-CE1 3.38Å; F98-Y155 HydrophobicContact CD2-CD2 4.39Å; L140-Y155 HydrophobicContact CD1-CD2 3.86Å; L140-Y155 HydrophobicContact CD1-CE2 3.84Å; L140-Y155 HydrophobicContact CD2-CE2 4.3Å; K151-Y155 HydrophobicContact CB-CE2 4.41Å; K151-Y155 WeakPolarHBondContact O-CD2 3.47Å; K151-Y155 PolarHBondContact O-N 3.15Å; L152-Y155 PolarHBondContact O-N 2.8Å; H153-Y155 VanDerWaalsContact C-N 3.31Å; H153-Y155 PolarHBondContact O-N 3.09Å; Y155-Q157 VanDerWaalsContact C-N 3.33Å; Y155-Q157 PolarHBondContact O-N 3.5Å; Y155-T158 WeakPolarHBondContact O-CB 2.78Å; Y155-T158 PolarHBondContact O-N 2.77Å; Y155-I159 VanDerWaalsContact O-CG1 3.28Å; Y155-I159 WeakPolarHBondContact O-CG1 3.3Å; Y155-I159 PolarHBondContact O-N 3.01Å
156	T	81.1	Confident	77.2	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-48.9	176	-58.9	0	0	0	0	110.9	A129 L132 L136 L152 H153 T158 I159 L160	A129-T156 HydrophobicContact CB-CG2 4.18Å; A129-T156 WeakPolarHBondContact O-CG2 3.43Å; L132-T156 HydrophobicContact CB-CG2 4.29Å; L132-T156 HydrophobicContact CD2-CG2 4.01Å; L132-T156 HydrophobicContact CG-CG2 4.25Å; L136-T156 WeakPolarHBondContact CD1-OG1 3.48Å; L152-T156 PolarHBondContact O-N 3.14Å; L152-T156 PolarHBondContact O-OG1 2.83Å; H153-T156 PolarHBondContact O-N 3.01Å; T156-T158 VanDerWaalsContact C-N 3.33Å; T156-T158 PolarHBondContact O-N 3.46Å; T156-I159 PolarHBondContact O-N 3.17Å; T156-L160 HydrophobicContact CG2-CD1 4.07Å; T156-L160 WeakPolarHBondContact O-CG 3.24Å; T156-L160 PolarHBondContact O-N 3.15Å
157	Q	80.3	Confident	77.5	Confident	72 Å²	72	55.7 Å²	55.7	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-37.9	179.8	-68.9	-58.8	-55.8	0	0	112.4	H153 E154 Y155 K161	H153-Q157 WeakPolarHBondContact O-CG 3.45Å; H153-Q157 PolarHBondContact O-N 3.13Å; E154-Q157 PolarHBondContact O-N 3.03Å; Y155-Q157 VanDerWaalsContact C-N 3.33Å; Y155-Q157 PolarHBondContact O-N 3.5Å; Q157-K161 WeakPolarHBondContact O-CB 3.11Å; Q157-K161 WeakPolarHBondContact O-CG 3.12Å; Q157-K161 PolarHBondContact O-N 3.21Å
158	T	75.9	Confident	77.8	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-49.6	175.7	-66.9	0	0	0	0	110.8	A18 I22 E154 Y155 T156 K161 M162	A18-T158 HydrophobicContact CB-CG2 3.38Å; I22-T158 HydrophobicContact CD1-CG2 3.52Å; I22-T158 HydrophobicContact CG1-CG2 4.34Å; E154-T158 WeakPolarHBondContact O-CB 3.02Å; E154-T158 PolarHBondContact O-N 2.84Å; E154-T158 PolarHBondContact O-OG1 3.01Å; Y155-T158 WeakPolarHBondContact O-CB 2.78Å; Y155-T158 PolarHBondContact O-N 2.77Å; T156-T158 VanDerWaalsContact C-N 3.33Å; T156-T158 PolarHBondContact O-N 3.46Å; T158-K161 PolarHBondContact O-N 3.01Å; T158-M162 HydrophobicContact CG2-CE 3.46Å; T158-M162 VanDerWaalsContact CG2-CE 3.46Å; T158-M162 HydrophobicContact CG2-SD 3.99Å; T158-M162 WeakPolarHBondContact O-CB 3.38Å; T158-M162 VanDerWaalsContact O-CG 3.23Å; T158-M162 WeakPolarHBondContact O-CG 3.43Å; T158-M162 PolarHBondContact O-N 2.66Å
159	I	76.1	Confident	77.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-42.5	-179.5	-63.9	169.2	0	0	0	111	F98 L132 L136 Y155 T156 M162 F163 L171 L179	F98-I159 HydrophobicContact CE1-CD1 3.37Å; F98-I159 HydrophobicContact CE1-CG1 3.65Å; F98-I159 HydrophobicContact CE2-CD1 4.42Å; F98-I159 HydrophobicContact CZ-CD1 3.26Å; F98-I159 HydrophobicContact CZ-CG1 4.1Å; L132-I159 HydrophobicContact CD1-CD1 4.32Å; L132-I159 HydrophobicContact CD1-CG2 4.41Å; L132-I159 HydrophobicContact CD2-CB 4.03Å; L132-I159 HydrophobicContact CD2-CG2 3.93Å; L136-I159 HydrophobicContact CD1-CD1 3.74Å; L136-I159 HydrophobicContact CD2-CD1 3.37Å; L136-I159 HydrophobicContact CG-CD1 4.08Å; Y155-I159 VanDerWaalsContact O-CG1 3.28Å; Y155-I159 WeakPolarHBondContact O-CG1 3.3Å; Y155-I159 PolarHBondContact O-N 3.01Å; T156-I159 PolarHBondContact O-N 3.17Å; I159-M162 PolarHBondContact O-N 2.85Å; I159-M162 VanDerWaalsContact O-N 3.15Å; I159-F163 HydrophobicContact CG2-CD2 3.82Å; I159-F163 WeakPolarHBondContact O-CD2 3.25Å; I159-F163 PolarHBondContact O-N 3.29Å; I159-L171 HydrophobicContact CG2-CD1 3.69Å; I159-L179 HydrophobicContact CG2-CD1 4.37Å
160	L	78.5	Confident	77.8	Confident	11 Å²	11	51.8 Å²	51.8	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-55.4	174.5	-73.6	166.8	0	0	0	109.5	A129 L132 T156 M162 F163 D164 L171	A129-L160 HydrophobicContact CB-CD1 3.76Å; L132-L160 HydrophobicContact CD2-CD2 4.32Å; L132-L160 HydrophobicContact CD2-CG 4.01Å; T156-L160 HydrophobicContact CG2-CD1 4.07Å; T156-L160 WeakPolarHBondContact O-CG 3.24Å; T156-L160 PolarHBondContact O-N 3.15Å; L160-M162 PolarHBondContact O-N 2.88Å; L160-F163 PolarHBondContact O-N 2.84Å; L160-F163 VanDerWaalsContact O-N 3.13Å; L160-D164 WeakPolarHBondContact O-CA 3.24Å; L160-D164 WeakPolarHBondContact O-CB 3.5Å; L160-D164 PolarHBondContact O-N 3.02Å; L160-L171 HydrophobicContact CD2-CD2 4.1Å; L160-L171 HydrophobicContact CD2-CG 3.86Å
161	K	74.4	Confident	77.9	Confident	139 Å²	139	45.5 Å²	45.5	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-55.8	-27.6	177.1	-75.7	-179.7	178.3	-176.5	0	115.1	I22 Q157 T158	I22-K161 HydrophobicContact CD1-CB 4.39Å; Q157-K161 WeakPolarHBondContact O-CB 3.11Å; Q157-K161 WeakPolarHBondContact O-CG 3.12Å; Q157-K161 PolarHBondContact O-N 3.21Å; T158-K161 PolarHBondContact O-N 3.01Å
162	M	68.8	Low	78	Confident	15 Å²	15	41.3 Å²	41.3	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-80.6	-40.6	179.2	-77.6	172.8	176.8	0	0	113.1	F21 I22 T158 I159 L160	F21-M162 HydrophobicContact CD1-CE 3.82Å; F21-M162 HydrophobicContact CE1-CE 4.32Å; I22-M162 HydrophobicContact CD1-CE 3.7Å; I22-M162 HydrophobicContact CD1-CG 3.66Å; I22-M162 HydrophobicContact CD1-SD 4.36Å; I22-M162 HydrophobicContact CG1-CE 3.18Å; I22-M162 HydrophobicContact CG1-CG 3.46Å; I22-M162 VanDerWaalsContact CG1-CG 3.46Å; I22-M162 HydrophobicContact CG1-SD 4.12Å; T158-M162 HydrophobicContact CG2-CE 3.46Å; T158-M162 VanDerWaalsContact CG2-CE 3.46Å; T158-M162 HydrophobicContact CG2-SD 3.99Å; T158-M162 WeakPolarHBondContact O-CB 3.38Å; T158-M162 VanDerWaalsContact O-CG 3.23Å; T158-M162 WeakPolarHBondContact O-CG 3.43Å; T158-M162 PolarHBondContact O-N 2.66Å; I159-M162 PolarHBondContact O-N 2.85Å; I159-M162 VanDerWaalsContact O-N 3.15Å; L160-M162 PolarHBondContact O-N 2.88Å
163	F	72.4	Confident	77.8	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	23%	0.226	C	C	.	.	H	α-helix	trans	-117.7	-20.9	-164.6	-65.1	-79	0	0	0	113.6	M85 I159 L160 L165 L171 E175 R178 L179	M85-F163 HydrophobicContact CG-CZ 4.2Å; I159-F163 HydrophobicContact CG2-CD2 3.82Å; I159-F163 WeakPolarHBondContact O-CD2 3.25Å; I159-F163 PolarHBondContact O-N 3.29Å; L160-F163 PolarHBondContact O-N 2.84Å; L160-F163 VanDerWaalsContact O-N 3.13Å; F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 2.99Å; F163-L171 HydrophobicContact CB-CD2 3.59Å; F163-E175 HydrophobicContact CB-CB 4.5Å; F163-E175 WeakPolarHBondContact O-CB 3.24Å; F163-E175 WeakPolarHBondContact O-CG 3.13Å; F163-R178 HydrophobicContact CD1-CB 3.98Å; F163-R178 HydrophobicContact CE1-CB 3.88Å; F163-L179 HydrophobicContact CD1-CG 4.14Å; F163-L179 HydrophobicContact CD2-CD1 4.17Å; F163-L179 HydrophobicContact CD2-CD2 4.02Å; F163-L179 HydrophobicContact CD2-CG 4.06Å; F163-L179 HydrophobicContact CE1-CD2 3.9Å; F163-L179 HydrophobicContact CE1-CG 3.74Å; F163-L179 HydrophobicContact CE2-CD1 4.19Å; F163-L179 HydrophobicContact CE2-CD2 3.22Å; F163-L179 HydrophobicContact CE2-CG 3.7Å; F163-L179 HydrophobicContact CG-CD1 4.49Å; F163-L179 HydrophobicContact CG-CG 4.3Å; F163-L179 HydrophobicContact CZ-CD1 4.48Å; F163-L179 HydrophobicContact CZ-CD2 3.14Å; F163-L179 HydrophobicContact CZ-CG 3.53Å
164	D	79.9	Confident	77.2	Confident	25 Å²	25	37.8 Å²	37.8	13%	0.134	21%	0.213	C	C	.	.			trans	-74.2	86.4	170.2	177.2	7.2	0	0	0	108.7	L160 N166 G167 D168 G169 L171	L160-D164 WeakPolarHBondContact O-CA 3.24Å; L160-D164 WeakPolarHBondContact O-CB 3.5Å; L160-D164 PolarHBondContact O-N 3.02Å; D164-N166 PolarHBondContact OD1-OD1 3.24Å; D164-G167 WeakPolarHBondContact OD1-CA 3.19Å; D164-G167 PolarHBondContact OD1-N 3.29Å; D164-D168 PolarHBondContact OD1-N 3.35Å; D164-D168 PolarHBondContact OD2-N 2.95Å; D164-G169 WeakPolarHBondContact OD2-CA 3.47Å; D164-G169 PolarHBondContact OD2-N 3.05Å; D164-L171 HydrophobicContact CB-CD2 4.06Å
165	L	71.8	Confident	77.2	Confident	72 Å²	72	33.9 Å²	33.9	38%	0.377	19%	0.194	S	C	.	.	S	Bend	trans	-80.6	-32.2	-173.5	-62.6	167.7	0	0	0	111.3	F163 G167 E175 M270	F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 2.99Å; L165-G167 VanDerWaalsContact C-N 3.28Å; L165-E175 HydrophobicContact CD1-CG 4.32Å; L165-E175 PolarHBondContact N-OE1 3.23Å; L165-M270 HydrophobicContact CD1-CE 4.29Å; L165-M270 HydrophobicContact CD1-SD 4.32Å
166	N	74.3	Confident	77	Confident	68 Å²	68	32.8 Å²	32.8	36%	0.364	19%	0.19	S	C	.	.	S	Bend	trans	-82.3	-9.5	177.8	69.2	0.1	0	0	0	112.3	D164 D168	D164-N166 PolarHBondContact OD1-OD1 3.24Å; N166-D168 VanDerWaalsContact C-N 3.31Å; N166-D168 VanDerWaalsContact CG-CG 3.48Å; N166-D168 VanDerWaalsContact ND2-CG 3.29Å; N166-D168 PolarHBondContact ND2-OD2 3.29Å; N166-D168 PolarHBondContact O-N 3.39Å; N166-D168 WeakPolarHBondContact OD1-CB 3.27Å; N166-D168 PolarHBondContact OD1-N 3.39Å; N166-D168 PolarHBondContact OD1-OD1 3.34Å; N166-D168 PolarHBondContact OD1-OD2 3.29Å
167	G	78.5	Confident	76.5	Confident	60 Å²	60	32.6 Å²	32.6	62%	0.619	19%	0.189	S	C	*	.			trans	70.2	26	175.9	0	0	0	0	0	113.3	D164 L165 G169	D164-G167 WeakPolarHBondContact OD1-CA 3.19Å; D164-G167 PolarHBondContact OD1-N 3.29Å; L165-G167 VanDerWaalsContact C-N 3.28Å; G167-G169 VanDerWaalsContact C-N 3.29Å
168	D	80.8	Confident	75.8	Confident	62 Å²	62	31.2 Å²	31.2	33%	0.332	18%	0.181	S	C	.	.	S	Bend	trans	-85.5	-1.9	-176.1	71	9.1	0	0	0	113.6	D164 N166 K170	D164-D168 PolarHBondContact OD1-N 3.35Å; D164-D168 PolarHBondContact OD2-N 2.95Å; N166-D168 VanDerWaalsContact C-N 3.31Å; N166-D168 VanDerWaalsContact CG-CG 3.48Å; N166-D168 VanDerWaalsContact ND2-CG 3.29Å; N166-D168 PolarHBondContact ND2-OD2 3.29Å; N166-D168 PolarHBondContact O-N 3.39Å; N166-D168 WeakPolarHBondContact OD1-CB 3.27Å; N166-D168 PolarHBondContact OD1-N 3.39Å; N166-D168 PolarHBondContact OD1-OD1 3.34Å; N166-D168 PolarHBondContact OD1-OD2 3.29Å; D168-K170 VanDerWaalsContact C-N 3.29Å; D168-K170 HydrophobicContact CB-CG 4.37Å; D168-K170 VanDerWaalsContact CG-CE 3.42Å; D168-K170 WeakPolarHBondContact OD1-CG 3.41Å; D168-K170 PolarHBondContact OD1-N 3.4Å; D168-K170 WeakPolarHBondContact OD2-CE 3.39Å; D168-K170 WeakPolarHBondContact OD2-CG 3.1Å; D168-K170 IonicContact OD2-NZ 2.75Å
169	G	81.1	Confident	75.3	Confident	39 Å²	39	31.3 Å²	31.3	40%	0.402	18%	0.181	S	C	.	.	S	Bend	trans	80.1	7.6	177.8	0	0	0	0	0	114.1	D164 G167	D164-G169 WeakPolarHBondContact OD2-CA 3.47Å; D164-G169 PolarHBondContact OD2-N 3.05Å; G167-G169 VanDerWaalsContact C-N 3.29Å
170	K	85.1	Confident	74.7	Confident	56 Å²	56	31.5 Å²	31.5	24%	0.243	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.4	177.7	54.6	-178.5	-170.3	165.9	0	109	Y126 D168	Y126-K170 HydrophobicContact CD1-CD 3.61Å; Y126-K170 VanDerWaalsContact CD1-CE 3.43Å; Y126-K170 HydrophobicContact CD1-CG 3.92Å; Y126-K170 HydrophobicContact CD2-CD 4.12Å; Y126-K170 HydrophobicContact CE1-CD 4.31Å; Y126-K170 VanDerWaalsContact CE2-NZ 3.29Å; Y126-K170 HydrophobicContact CG-CD 3.52Å; Y126-K170 HydrophobicContact CG-CG 4.18Å; D168-K170 VanDerWaalsContact C-N 3.29Å; D168-K170 HydrophobicContact CB-CG 4.37Å; D168-K170 VanDerWaalsContact CG-CE 3.42Å; D168-K170 WeakPolarHBondContact OD1-CG 3.41Å; D168-K170 PolarHBondContact OD1-N 3.4Å; D168-K170 WeakPolarHBondContact OD2-CE 3.39Å; D168-K170 WeakPolarHBondContact OD2-CG 3.1Å; D168-K170 IonicContact OD2-NZ 2.75Å
171	L	81.6	Confident	73.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.4	175.7	-63.3	176	0	0	0	108.7	W116 Y126 I127 L132 I159 L160 F163 D164 M176	W116-L171 VanDerWaalsContact CH2-O 3.27Å; W116-L171 WeakPolarHBondContact CH2-O 3.36Å; Y126-L171 CarbonylContact C-O 3.59Å; Y126-L171 VanDerWaalsContact CA-O 3.31Å; Y126-L171 WeakPolarHBondContact CA-O 3.46Å; I127-L171 HydrophobicContact CB-CB 4.41Å; I127-L171 PolarHBondContact N-O 3.04Å; I127-L171 PolarHBondContact O-N 2.87Å; L132-L171 HydrophobicContact CD1-CD1 4.22Å; L132-L171 HydrophobicContact CD2-CD1 3.79Å; I159-L171 HydrophobicContact CG2-CD1 3.69Å; L160-L171 HydrophobicContact CD2-CD2 4.1Å; L160-L171 HydrophobicContact CD2-CG 3.86Å; F163-L171 HydrophobicContact CB-CD2 3.59Å; D164-L171 HydrophobicContact CB-CD2 4.06Å; L171-M176 HydrophobicContact CB-CB 4.45Å; L171-M176 HydrophobicContact CD1-CG 4.49Å
172	G	80	Confident	72.7	Confident	8 Å²	8	27 Å²	27	8%	0.082	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	158.6	167.1	0	0	0	0	0	111.8	W116 S174 E175 M176	W116-G172 VanDerWaalsContact CH2-C 3.41Å; G172-S174 PolarHBondContact O-N 3.48Å; G172-E175 PolarHBondContact N-OE2 3.06Å; G172-E175 WeakPolarHBondContact O-CB 3.07Å; G172-E175 PolarHBondContact O-N 3.15Å; G172-M176 PolarHBondContact O-N 2.89Å
173	L	75.6	Confident	72	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-56	-39	-179.1	-174.4	70.6	0	0	0	112.1	F112 M113 W116 E175 A177 L187 I263 V264	F112-L173 HydrophobicContact CE1-CD1 3.79Å; F112-L173 HydrophobicContact CZ-CD1 4.46Å; M113-L173 HydrophobicContact CE-CD1 3.95Å; M113-L173 HydrophobicContact CE-CD2 3.47Å; M113-L173 VanDerWaalsContact CE-CD2 3.47Å; M113-L173 HydrophobicContact CE-CG 4.31Å; M113-L173 HydrophobicContact SD-CD1 3.82Å; M113-L173 HydrophobicContact SD-CD2 4.26Å; W116-L173 HydrophobicContact CB-CD1 4.48Å; W116-L173 HydrophobicContact CD2-CD1 3.39Å; W116-L173 HydrophobicContact CE3-CD1 3.63Å; W116-L173 HydrophobicContact CG-CD1 3.77Å; W116-L173 HydrophobicContact CH2-CB 4.07Å; W116-L173 HydrophobicContact CH2-CD1 4.29Å; W116-L173 VanDerWaalsContact CH2-N 3.25Å; W116-L173 HydrophobicContact CZ2-CB 3.92Å; W116-L173 HydrophobicContact CZ2-CD1 4.11Å; W116-L173 HydrophobicContact CZ3-CD1 4.07Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 3.05Å; L173-A177 WeakPolarHBondContact O-CB 3.19Å; L173-A177 PolarHBondContact O-N 2.78Å; L173-L187 HydrophobicContact CD1-CD1 4.08Å; L173-L187 HydrophobicContact CD2-CD1 4.07Å; L173-L187 HydrophobicContact CD2-CD2 3.56Å; L173-L187 HydrophobicContact CD2-CG 4.48Å; L173-L187 HydrophobicContact CG-CD1 3.76Å; L173-L187 HydrophobicContact CG-CD2 4.1Å; L173-I263 HydrophobicContact CB-CG2 3.67Å; L173-I263 HydrophobicContact CD2-CG2 3.54Å; L173-I263 HydrophobicContact CG-CG2 4.15Å; L173-V264 HydrophobicContact CD2-CG2 4.1Å
174	S	71.3	Confident	71.2	Confident	27 Å²	27	37.3 Å²	37.3	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-74.4	-20.3	-179.8	78.7	0	0	0	0	114.5	G172 M270	G172-S174 PolarHBondContact O-N 3.48Å; S174-M270 WeakPolarHBondContact OG-CE 3.22Å
175	E	76.9	Confident	70.3	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-80.4	-52	174.9	-74.6	173.2	150.1	0	0	110.2	F163 L165 G172 L173 A177 R178 M270	F163-E175 HydrophobicContact CB-CB 4.5Å; F163-E175 WeakPolarHBondContact O-CB 3.24Å; F163-E175 WeakPolarHBondContact O-CG 3.13Å; L165-E175 HydrophobicContact CD1-CG 4.32Å; L165-E175 PolarHBondContact N-OE1 3.23Å; G172-E175 PolarHBondContact N-OE2 3.06Å; G172-E175 WeakPolarHBondContact O-CB 3.07Å; G172-E175 PolarHBondContact O-N 3.15Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 3.05Å; E175-A177 PolarHBondContact O-N 3.25Å; E175-R178 VanDerWaalsContact O-CB 3.3Å; E175-R178 WeakPolarHBondContact O-CB 2.82Å; E175-R178 PolarHBondContact O-N 2.9Å; E175-M270 HydrophobicContact CG-CE 3.62Å
176	M	73.1	Confident	69.9	Low	4 Å²	4	32.9 Å²	32.9	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-25.3	177.1	-159.6	174.9	174.2	0	0	111.8	F102 F112 W116 I127 F135 L171 G172 R178 L179	F102-M176 HydrophobicContact CE2-CE 3.65Å; F102-M176 HydrophobicContact CZ-CE 3.58Å; F102-M176 HydrophobicContact CZ-CG 4.33Å; F112-M176 HydrophobicContact CE2-CB 4.46Å; F112-M176 HydrophobicContact CE2-CE 4.16Å; F112-M176 HydrophobicContact CE2-CG 3.83Å; F112-M176 HydrophobicContact CE2-SD 4.15Å; F112-M176 HydrophobicContact CZ-CB 3.97Å; F112-M176 HydrophobicContact CZ-CG 3.81Å; F112-M176 HydrophobicContact CZ-SD 4.2Å; W116-M176 HydrophobicContact CE3-CB 4.31Å; W116-M176 HydrophobicContact CE3-CG 4.44Å; W116-M176 HydrophobicContact CE3-SD 3.55Å; W116-M176 VanDerWaalsContact CE3-SD 3.55Å; W116-M176 HydrophobicContact CH2-CB 4.43Å; W116-M176 HydrophobicContact CH2-SD 4.47Å; W116-M176 HydrophobicContact CZ3-CB 3.53Å; W116-M176 HydrophobicContact CZ3-CG 3.98Å; W116-M176 HydrophobicContact CZ3-SD 3.29Å; W116-M176 WeakPolarHBondContact CZ3-SD 3.44Å; I127-M176 HydrophobicContact CG1-SD 4.19Å; F135-M176 HydrophobicContact CD1-CE 4.23Å; F135-M176 HydrophobicContact CD2-CE 4.41Å; F135-M176 HydrophobicContact CE1-CE 4.13Å; F135-M176 HydrophobicContact CE2-CE 4.28Å; F135-M176 HydrophobicContact CG-CE 4.41Å; F135-M176 HydrophobicContact CZ-CE 4.14Å; L171-M176 HydrophobicContact CB-CB 4.45Å; L171-M176 HydrophobicContact CD1-CG 4.49Å; G172-M176 PolarHBondContact O-N 2.89Å; M176-R178 PolarHBondContact O-N 3.49Å; M176-L179 HydrophobicContact CG-CD1 3.78Å; M176-L179 VanDerWaalsContact O-CB 3.25Å; M176-L179 WeakPolarHBondContact O-CB 3.42Å; M176-L179 PolarHBondContact O-N 3.09Å
177	A	69.5	Low	69.4	Low	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-54.6	-34.2	169.7	0	0	0	0	0	112.2	L173 E175 L179 L180 N185 L187	L173-A177 WeakPolarHBondContact O-CB 3.19Å; L173-A177 PolarHBondContact O-N 2.78Å; E175-A177 PolarHBondContact O-N 3.25Å; A177-L179 PolarHBondContact O-N 3.49Å; A177-L179 VanDerWaalsContact O-N 3.13Å; A177-L180 WeakPolarHBondContact O-CA 3.4Å; A177-L180 VanDerWaalsContact O-CB 3.24Å; A177-L180 WeakPolarHBondContact O-CB 3.45Å; A177-L180 PolarHBondContact O-N 3.08Å; A177-N185 PolarHBondContact O-ND2 3.18Å; A177-L187 HydrophobicContact CB-CB 3.68Å; A177-L187 HydrophobicContact CB-CD1 3.52Å; A177-L187 HydrophobicContact CB-CG 4.23Å
178	R	67	Low	68.6	Low	44 Å²	44	28.5 Å²	28.5	17%	0.166	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-63.9	-16.8	179.7	-62.4	-178.3	177.4	-164.1	-3.8	113	N33 F163 E175 M176 L180 L188	N33-R178 PolarHBondContact O-NH2 3.22Å; F163-R178 HydrophobicContact CD1-CB 3.98Å; F163-R178 HydrophobicContact CE1-CB 3.88Å; E175-R178 VanDerWaalsContact O-CB 3.3Å; E175-R178 WeakPolarHBondContact O-CB 2.82Å; E175-R178 PolarHBondContact O-N 2.9Å; M176-R178 PolarHBondContact O-N 3.49Å; R178-L180 PolarHBondContact O-N 3.02Å; R178-L188 HydrophobicContact CG-CD2 4.41Å
179	L	64.6	Low	67.5	Low	12 Å²	12	29.9 Å²	29.9	6%	0.063	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-72.9	-17.2	170.1	-70.8	161.7	0	0	0	113	L99 F102 I159 F163 M176 A177	L99-L179 HydrophobicContact CD2-CD2 3.64Å; F102-L179 HydrophobicContact CD1-CB 3.7Å; F102-L179 HydrophobicContact CD1-CD1 4.46Å; F102-L179 HydrophobicContact CD1-CG 4.48Å; F102-L179 HydrophobicContact CD2-CD1 4.31Å; F102-L179 HydrophobicContact CE1-CB 3.36Å; F102-L179 HydrophobicContact CE1-CD1 3.97Å; F102-L179 HydrophobicContact CE1-CG 4.21Å; F102-L179 HydrophobicContact CE2-CD1 3.77Å; F102-L179 HydrophobicContact CG-CB 4.5Å; F102-L179 HydrophobicContact CZ-CB 3.89Å; F102-L179 HydrophobicContact CZ-CD1 3.59Å; F102-L179 HydrophobicContact CZ-CG 4.33Å; I159-L179 HydrophobicContact CG2-CD1 4.37Å; F163-L179 HydrophobicContact CD1-CG 4.14Å; F163-L179 HydrophobicContact CD2-CD1 4.17Å; F163-L179 HydrophobicContact CD2-CD2 4.02Å; F163-L179 HydrophobicContact CD2-CG 4.06Å; F163-L179 HydrophobicContact CE1-CD2 3.9Å; F163-L179 HydrophobicContact CE1-CG 3.74Å; F163-L179 HydrophobicContact CE2-CD1 4.19Å; F163-L179 HydrophobicContact CE2-CD2 3.22Å; F163-L179 HydrophobicContact CE2-CG 3.7Å; F163-L179 HydrophobicContact CG-CD1 4.49Å; F163-L179 HydrophobicContact CG-CG 4.3Å; F163-L179 HydrophobicContact CZ-CD1 4.48Å; F163-L179 HydrophobicContact CZ-CD2 3.14Å; F163-L179 HydrophobicContact CZ-CG 3.53Å; M176-L179 HydrophobicContact CG-CD1 3.78Å; M176-L179 VanDerWaalsContact O-CB 3.25Å; M176-L179 WeakPolarHBondContact O-CB 3.42Å; M176-L179 PolarHBondContact O-N 3.09Å; A177-L179 PolarHBondContact O-N 3.49Å; A177-L179 VanDerWaalsContact O-N 3.13Å
180	L	63.1	Low	66.3	Low	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-83.4	137.3	178.8	-60.3	176.7	0	0	0	111.3	F102 V106 F112 A177 R178 V182 N185	F102-L180 HydrophobicContact CE1-CD2 4.49Å; V106-L180 HydrophobicContact CB-CD2 3.99Å; V106-L180 HydrophobicContact CG2-CD2 3.69Å; F112-L180 HydrophobicContact CB-CD1 3.98Å; F112-L180 HydrophobicContact CB-CD2 3.79Å; F112-L180 HydrophobicContact CB-CG 4.46Å; F112-L180 HydrophobicContact CD1-CD1 3.65Å; F112-L180 HydrophobicContact CD1-CG 4.44Å; F112-L180 HydrophobicContact CD2-CD1 4.12Å; F112-L180 HydrophobicContact CD2-CD2 3.6Å; F112-L180 HydrophobicContact CD2-CG 4.04Å; F112-L180 HydrophobicContact CE1-CD1 4.11Å; F112-L180 HydrophobicContact CE2-CD2 4.31Å; F112-L180 HydrophobicContact CE2-CG 4.37Å; F112-L180 HydrophobicContact CG-CD1 3.64Å; F112-L180 HydrophobicContact CG-CD2 3.74Å; F112-L180 HydrophobicContact CG-CG 4.06Å; A177-L180 WeakPolarHBondContact O-CA 3.4Å; A177-L180 VanDerWaalsContact O-CB 3.24Å; A177-L180 WeakPolarHBondContact O-CB 3.45Å; A177-L180 PolarHBondContact O-N 3.08Å; R178-L180 PolarHBondContact O-N 3.02Å; L180-V182 PolarHBondContact O-N 3.17Å; L180-N185 HydrophobicContact CB-CB 4.44Å; L180-N185 PolarHBondContact O-ND2 2.93Å
181	P	58.2	Low	64.9	Low	29 Å²	29	28.3 Å²	28.3	19%	0.188	14%	0.137	C	C	.	.			trans	-57	129.8	172.7	19.3	-26.5	0	0	0	110.9	R103 K183 E184 N185	R103-P181 HydrophobicContact CG-CG 4.33Å; P181-K183 PolarHBondContact O-N 2.96Å; P181-E184 PolarHBondContact O-N 2.87Å; P181-N185 PolarHBondContact O-N 3.34Å
182	V	53	Low	63.5	Low	27 Å²	27	30.4 Å²	30.4	16%	0.164	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-59.6	-24.6	-169.8	167.6	0	0	0	0	114.7	N78 E84 L180 E184 N185 L188	N78-V182 WeakPolarHBondContact ND2-CB 3.47Å; N78-V182 WeakPolarHBondContact ND2-CG1 3.09Å; E84-V182 HydrophobicContact CG-CG2 4.09Å; E84-V182 WeakPolarHBondContact OE1-CB 3.13Å; E84-V182 WeakPolarHBondContact OE1-CG2 3.28Å; E84-V182 WeakPolarHBondContact OE2-CG2 3.44Å; L180-V182 PolarHBondContact O-N 3.17Å; V182-E184 PolarHBondContact O-N 3.2Å; V182-N185 PolarHBondContact O-N 3.22Å; V182-N185 VanDerWaalsContact O-N 3.15Å; V182-L188 HydrophobicContact CG2-CD1 3.85Å
183	K	53.8	Low	62.4	Low	148 Å²	148	31 Å²	31	64%	0.643	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-51.5	-34.9	174	-81	-170.5	178.1	173.3	0	112.4	K77 N78 P181	K77-K183 WeakPolarHBondContact O-CE 3.5Å; K77-K183 PolarHBondContact O-NZ 3.16Å; K77-K183 VanDerWaalsContact O-NZ 3.08Å; N78-K183 HydrophobicContact CB-CG 4.3Å; P181-K183 PolarHBondContact O-N 2.96Å
184	E	56.3	Low	61.6	Low	89 Å²	89	38.3 Å²	38.3	42%	0.416	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-113.7	2	-176.3	-62.9	180	171.8	0	0	113.1	S108 S109 P181 V182 F186	S108-E184 VanDerWaalsContact CA-OE2 3.26Å; S108-E184 WeakPolarHBondContact CA-OE2 3.48Å; S109-E184 WeakPolarHBondContact CB-O 3.3Å; P181-E184 PolarHBondContact O-N 2.87Å; V182-E184 PolarHBondContact O-N 3.2Å; E184-F186 VanDerWaalsContact C-N 3.3Å; E184-F186 PolarHBondContact O-N 3.02Å
185	N	59.8	Low	61.4	Low	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.189	C	C	.	.			trans	-79.4	77.2	-173.5	-160.7	-21.2	0	0	0	112.2	A177 L180 P181 V182 L187 L188 K189	A177-N185 PolarHBondContact O-ND2 3.18Å; L180-N185 HydrophobicContact CB-CB 4.44Å; L180-N185 PolarHBondContact O-ND2 2.93Å; P181-N185 PolarHBondContact O-N 3.34Å; V182-N185 PolarHBondContact O-N 3.22Å; V182-N185 VanDerWaalsContact O-N 3.15Å; N185-L187 PolarHBondContact O-N 2.78Å; N185-L188 HydrophobicContact CB-CB 4.5Å; N185-L188 HydrophobicContact CB-CD1 4.02Å; N185-L188 HydrophobicContact CB-CG 4.28Å; N185-L188 VanDerWaalsContact CG-CD1 3.5Å; N185-L188 VanDerWaalsContact CG-CG 3.46Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.29Å; N185-L188 WeakPolarHBondContact ND2-CG 3.31Å; N185-L188 PolarHBondContact O-N 2.91Å; N185-L188 PolarHBondContact OD1-N 3.04Å; N185-K189 PolarHBondContact O-N 3.46Å
186	F	65.3	Low	61.1	Low	3 Å²	3	41.6 Å²	41.6	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-32.8	179.4	80	-83	0	0	0	113.3	M113 E184 L188 K189 F190 Y243 S246 I247 V264	M113-F186 HydrophobicContact CE-CE1 4.35Å; M113-F186 HydrophobicContact CE-CZ 3.7Å; M113-F186 HydrophobicContact CG-CE1 3.8Å; M113-F186 HydrophobicContact CG-CZ 3.96Å; M113-F186 HydrophobicContact SD-CE1 3.8Å; M113-F186 HydrophobicContact SD-CZ 3.76Å; E184-F186 VanDerWaalsContact C-N 3.3Å; E184-F186 PolarHBondContact O-N 3.02Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 2.81Å; F186-K189 PolarHBondContact O-N 2.9Å; F186-F190 PolarHBondContact O-N 3.38Å; F186-Y243 HydrophobicContact CB-CD1 3.24Å; F186-Y243 HydrophobicContact CB-CE1 3.27Å; F186-Y243 HydrophobicContact CB-CG 4.47Å; F186-Y243 HydrophobicContact CD2-CD1 4.39Å; F186-Y243 HydrophobicContact CG-CD1 4.15Å; F186-S246 VanDerWaalsContact CE1-CB 3.44Å; F186-I247 HydrophobicContact CE2-CG1 4.05Å; F186-V264 HydrophobicContact CE2-CG1 3.96Å
187	L	62.6	Low	61.1	Low	12 Å²	12	44.5 Å²	44.5	6%	0.063	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-39.5	-177	-67.5	164.5	0	0	0	110.6	F112 M113 L173 A177 N185 Q191 V264	F112-L187 HydrophobicContact CE1-CD1 4.19Å; M113-L187 HydrophobicContact CE-CD2 4.49Å; M113-L187 HydrophobicContact SD-CD1 4.05Å; L173-L187 HydrophobicContact CD1-CD1 4.08Å; L173-L187 HydrophobicContact CD2-CD1 4.07Å; L173-L187 HydrophobicContact CD2-CD2 3.56Å; L173-L187 HydrophobicContact CD2-CG 4.48Å; L173-L187 HydrophobicContact CG-CD1 3.76Å; L173-L187 HydrophobicContact CG-CD2 4.1Å; A177-L187 HydrophobicContact CB-CB 3.68Å; A177-L187 HydrophobicContact CB-CD1 3.52Å; A177-L187 HydrophobicContact CB-CG 4.23Å; N185-L187 PolarHBondContact O-N 2.78Å; L187-Q191 WeakPolarHBondContact O-CG 3.47Å; L187-Q191 PolarHBondContact O-N 3.03Å; L187-V264 HydrophobicContact CD2-CG1 4.34Å
188	L	61.6	Low	61.3	Low	23 Å²	23	52.1 Å²	52.1	12%	0.12	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-41	172.6	-66.9	179	0	0	0	112.4	Y35 R178 V182 N185 F186 F190 Q191	Y35-L188 VanDerWaalsContact OH-CD1 3.28Å; Y35-L188 WeakPolarHBondContact OH-CD1 3.35Å; R178-L188 HydrophobicContact CG-CD2 4.41Å; V182-L188 HydrophobicContact CG2-CD1 3.85Å; N185-L188 HydrophobicContact CB-CB 4.5Å; N185-L188 HydrophobicContact CB-CD1 4.02Å; N185-L188 HydrophobicContact CB-CG 4.28Å; N185-L188 VanDerWaalsContact CG-CD1 3.5Å; N185-L188 VanDerWaalsContact CG-CG 3.46Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.29Å; N185-L188 WeakPolarHBondContact ND2-CG 3.31Å; N185-L188 PolarHBondContact O-N 2.91Å; N185-L188 PolarHBondContact OD1-N 3.04Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 2.81Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 3.23Å; L188-Q191 VanDerWaalsContact O-CB 3.26Å; L188-Q191 WeakPolarHBondContact O-CB 3.44Å; L188-Q191 WeakPolarHBondContact O-CG 3.32Å; L188-Q191 PolarHBondContact O-N 2.8Å
189	K	57.5	Low	61.8	Low	91 Å²	91	54.7 Å²	54.7	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-69.2	-31.8	-180	-65.3	179.7	-177.1	172.2	0	112.4	N185 F186 Q191 Y243	N185-K189 PolarHBondContact O-N 3.46Å; F186-K189 PolarHBondContact O-N 2.9Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Y243 WeakPolarHBondContact CD-OH 3.41Å
190	F	57.4	Low	62.5	Low	8 Å²	8	54.1 Å²	54.1	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-77.7	-12	175.3	-111.8	-98.3	0	0	0	114	F186 L188 G192 I193 L224 L227 Y228 Y243 L265	F186-F190 PolarHBondContact O-N 3.38Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 3.23Å; F190-G192 PolarHBondContact O-N 2.95Å; F190-I193 HydrophobicContact CD1-CB 4.48Å; F190-I193 HydrophobicContact CD1-CD1 3.86Å; F190-I193 HydrophobicContact CE1-CD1 3.61Å; F190-I193 HydrophobicContact CZ-CD1 4.11Å; F190-I193 PolarHBondContact O-N 2.94Å; F190-L224 HydrophobicContact CE1-CD2 4.37Å; F190-L224 HydrophobicContact CE2-CD2 4.45Å; F190-L224 HydrophobicContact CZ-CD2 3.66Å; F190-L227 HydrophobicContact CE1-CD1 4.5Å; F190-Y228 AromaticContact CE2-CE2 3.67Å; F190-Y228 HydrophobicContact CE2-CE2 3.67Å; F190-Y228 AromaticContact CE2-CZ 3.82Å; F190-Y228 WeakPolarHBondContact CE2-OH 3.09Å; F190-Y228 AromaticContact CZ-CE2 3.75Å; F190-Y228 HydrophobicContact CZ-CE2 3.75Å; F190-Y243 AromaticContact CE2-CD2 3.98Å; F190-Y243 HydrophobicContact CE2-CD2 3.98Å; F190-Y243 HydrophobicContact CE2-CE2 4.48Å; F190-Y243 HydrophobicContact CE2-CG 4.17Å; F190-L265 HydrophobicContact CD1-CD2 3.86Å; F190-L265 HydrophobicContact CE1-CD2 3.61Å
191	Q	54.6	Low	63.3	Low	54 Å²	54	56.3 Å²	56.3	25%	0.252	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.1	178	-71	-178	-5.3	0	0	114.8	L187 L188 K189 I193	L187-Q191 WeakPolarHBondContact O-CG 3.47Å; L187-Q191 PolarHBondContact O-N 3.03Å; L188-Q191 VanDerWaalsContact O-CB 3.26Å; L188-Q191 WeakPolarHBondContact O-CB 3.44Å; L188-Q191 WeakPolarHBondContact O-CG 3.32Å; L188-Q191 PolarHBondContact O-N 2.8Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; Q191-I193 VanDerWaalsContact C-N 3.27Å; Q191-I193 PolarHBondContact O-N 3.39Å
192	G	51.5	Low	64.5	Low	44 Å²	44	58.1 Å²	58.1	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.1	176.6	0	0	0	0	0	114.5	F190	F190-G192 PolarHBondContact O-N 2.95Å
193	I	58.2	Low	65.8	Low	21 Å²	21	58.1 Å²	58.1	11%	0.108	31%	0.305	C	S	.	.			trans	-100.9	91.4	-178.2	-56	178.7	0	0	0	107.5	F190 Q191 L195 L227 N231	F190-I193 HydrophobicContact CD1-CB 4.48Å; F190-I193 HydrophobicContact CD1-CD1 3.86Å; F190-I193 HydrophobicContact CE1-CD1 3.61Å; F190-I193 HydrophobicContact CZ-CD1 4.11Å; F190-I193 PolarHBondContact O-N 2.94Å; Q191-I193 VanDerWaalsContact C-N 3.27Å; Q191-I193 PolarHBondContact O-N 3.39Å; I193-L195 HydrophobicContact CG2-CD1 4.35Å; I193-L195 HydrophobicContact CG2-CG 4.16Å; I193-L227 HydrophobicContact CD1-CB 4.46Å; I193-L227 HydrophobicContact CG2-CD2 4.26Å; I193-N231 WeakPolarHBondContact CG1-ND2 3.4Å
194	K	58.8	Low	67.2	Low	160 Å²	160	51.8 Å²	51.8	70%	0.696	28%	0.278	S	S	*	.			trans	-91.6	106.2	174.8	-69.7	-174.7	178.1	-175.1	0	109.1
195	L	66.1	Low	68.5	Low	25 Å²	25	51 Å²	51	13%	0.131	29%	0.286	C	S	.	.			trans	-103.2	131.7	169.9	-65.2	169.6	0	0	0	109.3	I193 Q199 F200 I203 L227 L265	I193-L195 HydrophobicContact CG2-CD1 4.35Å; I193-L195 HydrophobicContact CG2-CG 4.16Å; L195-Q199 HydrophobicContact CB-CB 4.45Å; L195-Q199 HydrophobicContact CD2-CB 4.13Å; L195-F200 HydrophobicContact CB-CB 4.47Å; L195-I203 HydrophobicContact CD1-CD1 3.68Å; L195-I203 HydrophobicContact CD2-CD1 3.62Å; L195-I203 HydrophobicContact CG-CD1 4.29Å; L195-L227 HydrophobicContact CD1-CD2 4.12Å; L195-L265 HydrophobicContact CD1-CB 4.37Å
196	T	70.9	Confident	69.8	Low	75 Å²	75	57.2 Å²	57.2	46%	0.46	31%	0.313	S	S	.	.			trans	-69.2	156.8	166.5	67.7	0	0	0	0	109.8	E198 Q199 F200	T196-E198 PolarHBondContact O-N 3.41Å; T196-E198 VanDerWaalsContact O-N 3.15Å; T196-Q199 VanDerWaalsContact N-OE1 3.12Å; T196-Q199 PolarHBondContact O-N 3.21Å; T196-Q199 VanDerWaalsContact OG1-CG 3.32Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.35Å; T196-Q199 PolarHBondContact OG1-N 2.98Å; T196-F200 WeakPolarHBondContact O-CB 3.48Å; T196-F200 PolarHBondContact O-N 3.35Å
197	S	72.6	Confident	70.8	Confident	64 Å²	64	58 Å²	58	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-55.2	-34.3	176.6	-53.6	0	0	0	0	112.3	N201	S197-N201 WeakPolarHBondContact O-CB 3.44Å; S197-N201 PolarHBondContact O-N 3.29Å; S197-N201 PolarHBondContact O-ND2 2.88Å; S197-N201 VanDerWaalsContact O-ND2 3.09Å; S197-N201 PolarHBondContact O-OD1 3.16Å
198	E	75.3	Confident	71.9	Confident	161 Å²	161	58.4 Å²	58.4	75%	0.752	32%	0.319	S	S	*	.	H	α-helix	trans	-67	-44.1	174.8	-67.7	-178.1	169.9	0	0	112.9	T196 F200 N201 A202	T196-E198 PolarHBondContact O-N 3.41Å; T196-E198 VanDerWaalsContact O-N 3.15Å; E198-F200 VanDerWaalsContact C-N 3.33Å; E198-N201 PolarHBondContact O-N 3.33Å; E198-A202 PolarHBondContact O-N 2.85Å
199	Q	76.3	Confident	72.7	Confident	97 Å²	97	65.2 Å²	65.2	45%	0.453	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-41	176.3	-72.1	172.7	-25.5	0	0	111.1	L195 T196 A202 I203	L195-Q199 HydrophobicContact CB-CB 4.45Å; L195-Q199 HydrophobicContact CD2-CB 4.13Å; T196-Q199 VanDerWaalsContact N-OE1 3.12Å; T196-Q199 PolarHBondContact O-N 3.21Å; T196-Q199 VanDerWaalsContact OG1-CG 3.32Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.35Å; T196-Q199 PolarHBondContact OG1-N 2.98Å; Q199-A202 PolarHBondContact O-N 2.94Å; Q199-I203 WeakPolarHBondContact O-CB 3.33Å; Q199-I203 WeakPolarHBondContact O-CD1 3.35Å; Q199-I203 VanDerWaalsContact O-CG1 3.24Å; Q199-I203 WeakPolarHBondContact O-CG1 3.28Å; Q199-I203 PolarHBondContact O-N 3.21Å
200	F	79.6	Confident	73.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-43.8	174.7	173.2	-98.2	0	0	0	111.7	L195 T196 E198 A202 I203 F204 R258 L261 E262 L265 C266	L195-F200 HydrophobicContact CB-CB 4.47Å; T196-F200 WeakPolarHBondContact O-CB 3.48Å; T196-F200 PolarHBondContact O-N 3.35Å; E198-F200 VanDerWaalsContact C-N 3.33Å; F200-A202 VanDerWaalsContact C-N 3.33Å; F200-A202 PolarHBondContact O-N 2.95Å; F200-I203 PolarHBondContact O-N 3.15Å; F200-F204 HydrophobicContact CE1-CD2 4.5Å; F200-F204 HydrophobicContact CZ-CD2 4.02Å; F200-F204 WeakPolarHBondContact O-CB 3.26Å; F200-F204 PolarHBondContact O-N 2.95Å; F200-R258 HydrophobicContact CE1-CG 3.73Å; F200-R258 HydrophobicContact CZ-CG 4.3Å; F200-L261 HydrophobicContact CE2-CB 4.09Å; F200-L261 HydrophobicContact CE2-CD2 3.9Å; F200-L261 HydrophobicContact CE2-CG 3.94Å; F200-L261 HydrophobicContact CZ-CB 3.98Å; F200-L261 HydrophobicContact CZ-CD2 4.26Å; F200-L261 HydrophobicContact CZ-CG 4.31Å; F200-E262 HydrophobicContact CD1-CB 4.34Å; F200-E262 HydrophobicContact CD1-CG 4.12Å; F200-E262 HydrophobicContact CE1-CB 3.62Å; F200-E262 HydrophobicContact CE1-CG 3.88Å; F200-E262 HydrophobicContact CE2-CB 4.42Å; F200-E262 VanDerWaalsContact CZ-CA 3.5Å; F200-E262 HydrophobicContact CZ-CB 3.68Å; F200-E262 HydrophobicContact CZ-CG 4.34Å; F200-E262 VanDerWaalsContact CZ-N 3.31Å; F200-L265 HydrophobicContact CD2-CB 4.01Å; F200-L265 HydrophobicContact CD2-CD1 4.31Å; F200-L265 HydrophobicContact CE2-CB 4.11Å; F200-L265 HydrophobicContact CE2-CD1 4.1Å; F200-C266 WeakPolarHBondContact CB-SG 3.4Å; F200-C266 WeakPolarHBondContact CG-SG 3.4Å
201	N	80.3	Confident	75.1	Confident	51 Å²	51	68.1 Å²	68.1	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176.7	-67.7	-18.4	0	0	0	112.2	S197 E198 I203 A205 R258	S197-N201 WeakPolarHBondContact O-CB 3.44Å; S197-N201 PolarHBondContact O-N 3.29Å; S197-N201 PolarHBondContact O-ND2 2.88Å; S197-N201 VanDerWaalsContact O-ND2 3.09Å; S197-N201 PolarHBondContact O-OD1 3.16Å; E198-N201 PolarHBondContact O-N 3.33Å; N201-I203 VanDerWaalsContact C-N 3.34Å; N201-A205 WeakPolarHBondContact O-CB 3.46Å; N201-A205 PolarHBondContact O-N 3.46Å; N201-R258 VanDerWaalsContact CG-NH2 3.32Å; N201-R258 PolarHBondContact ND2-NH2 2.98Å; N201-R258 PolarHBondContact OD1-NE 2.9Å; N201-R258 PolarHBondContact OD1-NH1 2.9Å; N201-R258 PolarHBondContact OD1-NH2 2.96Å
202	A	82.3	Confident	76.5	Confident	66 Å²	66	67.9 Å²	67.9	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-39.2	176.6	0	0	0	0	0	111.9	E198 Q199 F200 F206	E198-A202 PolarHBondContact O-N 2.85Å; Q199-A202 PolarHBondContact O-N 2.94Å; F200-A202 VanDerWaalsContact C-N 3.33Å; F200-A202 PolarHBondContact O-N 2.95Å; A202-F206 WeakPolarHBondContact O-CB 3.37Å; A202-F206 PolarHBondContact O-N 3.25Å; A202-F206 VanDerWaalsContact O-N 3.13Å
203	I	81.4	Confident	78.1	Confident	28 Å²	28	67.4 Å²	67.4	14%	0.144	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-52.4	175.1	-75.1	166.2	0	0	0	109.9	L195 Q199 F200 N201 A205 F206 Y207 L223 L227	L195-I203 HydrophobicContact CD1-CD1 3.68Å; L195-I203 HydrophobicContact CD2-CD1 3.62Å; L195-I203 HydrophobicContact CG-CD1 4.29Å; Q199-I203 WeakPolarHBondContact O-CB 3.33Å; Q199-I203 WeakPolarHBondContact O-CD1 3.35Å; Q199-I203 VanDerWaalsContact O-CG1 3.24Å; Q199-I203 WeakPolarHBondContact O-CG1 3.28Å; Q199-I203 PolarHBondContact O-N 3.21Å; F200-I203 PolarHBondContact O-N 3.15Å; N201-I203 VanDerWaalsContact C-N 3.34Å; I203-A205 PolarHBondContact O-N 3.47Å; I203-F206 WeakPolarHBondContact O-CB 3.35Å; I203-F206 PolarHBondContact O-N 2.93Å; I203-Y207 HydrophobicContact CG2-CD2 3.8Å; I203-Y207 HydrophobicContact CG2-CE2 3.85Å; I203-Y207 WeakPolarHBondContact O-CD2 2.88Å; I203-Y207 PolarHBondContact O-N 3.47Å; I203-L223 HydrophobicContact CG2-CD1 3.47Å; I203-L223 VanDerWaalsContact CG2-CD1 3.47Å; I203-L223 HydrophobicContact CG2-CG 4.23Å; I203-L227 HydrophobicContact CD1-CD2 4.35Å
204	F	82.6	Confident	79.5	Confident	15 Å²	15	68.7 Å²	68.7	7%	0.066	38%	0.381	C	S	.	.	H	α-helix	trans	-56.2	-50.5	-178.9	-167.9	-80.6	0	0	0	111.2	F200 F206 Y207 D208 I215 R258 L261	F200-F204 HydrophobicContact CE1-CD2 4.5Å; F200-F204 HydrophobicContact CZ-CD2 4.02Å; F200-F204 WeakPolarHBondContact O-CB 3.26Å; F200-F204 PolarHBondContact O-N 2.95Å; F204-F206 PolarHBondContact O-N 3.06Å; F204-Y207 PolarHBondContact O-N 2.96Å; F204-D208 HydrophobicContact CD1-CB 4.36Å; F204-D208 HydrophobicContact CE1-CB 4.2Å; F204-D208 WeakPolarHBondContact O-CB 3.39Å; F204-D208 PolarHBondContact O-N 3.11Å; F204-I215 HydrophobicContact CD2-CD1 3.91Å; F204-I215 HydrophobicContact CD2-CG1 4.18Å; F204-I215 HydrophobicContact CE2-CD1 4.01Å; F204-I215 HydrophobicContact CE2-CG1 3.78Å; F204-I215 HydrophobicContact CG-CD1 4.48Å; F204-I215 HydrophobicContact CZ-CG1 4.04Å; F204-R258 HydrophobicContact CD2-CB 4.39Å; F204-R258 HydrophobicContact CD2-CG 4.42Å; F204-R258 HydrophobicContact CE1-CB 4.32Å; F204-R258 VanDerWaalsContact CE2-CA 3.48Å; F204-R258 HydrophobicContact CE2-CB 3.97Å; F204-R258 HydrophobicContact CE2-CG 4.49Å; F204-R258 HydrophobicContact CZ-CB 3.94Å; F204-L261 HydrophobicContact CD2-CD2 3.87Å; F204-L261 HydrophobicContact CE2-CD2 4.18Å
205	A	85	Confident	80.9	Confident	72 Å²	72	61 Å²	61	60%	0.595	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-21.5	177.9	0	0	0	0	0	113.9	N201 I203	N201-A205 WeakPolarHBondContact O-CB 3.46Å; N201-A205 PolarHBondContact O-N 3.46Å; I203-A205 PolarHBondContact O-N 3.47Å
206	F	85.9	Confident	82	Confident	132 Å²	132	62 Å²	62	58%	0.579	35%	0.353	S	S	*	.	H	α-helix	trans	-79.9	-34.3	175.9	179.5	-95.3	0	0	0	112.3	A202 I203 F204	A202-F206 WeakPolarHBondContact O-CB 3.37Å; A202-F206 PolarHBondContact O-N 3.25Å; A202-F206 VanDerWaalsContact O-N 3.13Å; I203-F206 WeakPolarHBondContact O-CB 3.35Å; I203-F206 PolarHBondContact O-N 2.93Å; F204-F206 PolarHBondContact O-N 3.06Å
207	Y	86.1	Confident	82.7	Confident	18 Å²	18	63.6 Å²	63.6	7%	0.071	36%	0.355	C	S	.	.	H	α-helix	trans	-92	-26.9	-179.4	-69.2	-78.4	0	0	0	114	I203 F204 K209 E219 A222 L223 D226	I203-Y207 HydrophobicContact CG2-CD2 3.8Å; I203-Y207 HydrophobicContact CG2-CE2 3.85Å; I203-Y207 WeakPolarHBondContact O-CD2 2.88Å; I203-Y207 PolarHBondContact O-N 3.47Å; F204-Y207 PolarHBondContact O-N 2.96Å; Y207-K209 PolarHBondContact O-N 3.14Å; Y207-E219 VanDerWaalsContact O-CD 3.24Å; Y207-E219 WeakPolarHBondContact O-CG 3.49Å; Y207-A222 HydrophobicContact CD1-CB 4.05Å; Y207-A222 HydrophobicContact CE1-CB 4.05Å; Y207-L223 HydrophobicContact CD1-CB 4Å; Y207-L223 HydrophobicContact CD2-CB 3.88Å; Y207-L223 HydrophobicContact CD2-CD1 3.64Å; Y207-L223 HydrophobicContact CD2-CG 4.02Å; Y207-L223 HydrophobicContact CE1-CB 4.22Å; Y207-L223 HydrophobicContact CE2-CB 4.11Å; Y207-L223 HydrophobicContact CE2-CD1 4.2Å; Y207-L223 HydrophobicContact CE2-CG 4.18Å; Y207-L223 HydrophobicContact CG-CB 3.85Å; Y207-L223 HydrophobicContact CG-CD1 4.16Å; Y207-L223 HydrophobicContact CG-CG 4.45Å; Y207-D226 WeakPolarHBondContact OH-CB 3.17Å; Y207-D226 PolarHBondContact OH-OD2 2.79Å
208	D	86.4	Confident	83.4	Confident	21 Å²	21	68.1 Å²	68.1	11%	0.112	37%	0.369	C	S	.	.			trans	-70.3	76.6	166.3	179.2	7	0	0	0	109.1	F204 G211 N212 G213	F204-D208 HydrophobicContact CD1-CB 4.36Å; F204-D208 HydrophobicContact CE1-CB 4.2Å; F204-D208 WeakPolarHBondContact O-CB 3.39Å; F204-D208 PolarHBondContact O-N 3.11Å; D208-G211 PolarHBondContact O-N 2.71Å; D208-G211 WeakPolarHBondContact OD1-CA 3.03Å; D208-G211 PolarHBondContact OD1-N 3.03Å; D208-N212 PolarHBondContact OD1-N 3.41Å; D208-G213 WeakPolarHBondContact OD2-CA 3.25Å; D208-G213 PolarHBondContact OD2-N 2.82Å; D208-G213 VanDerWaalsContact OD2-N 3.07Å
209	K	78.2	Confident	84	Confident	166 Å²	166	61.4 Å²	61.4	72%	0.722	34%	0.338	S	S	*	.			trans	-75.3	-30	-168.9	-77	-176.2	-178.9	173.4	0	112.4	Y207 E219	Y207-K209 PolarHBondContact O-N 3.14Å; K209-E219 PolarHBondContact N-OE1 2.85Å; K209-E219 VanDerWaalsContact N-OE1 3.11Å
210	D	81.6	Confident	84.5	Confident	102 Å²	102	56.8 Å²	56.8	55%	0.545	32%	0.316	S	S	.	.	S	Bend	trans	-90.7	-7.5	179.3	70.1	-1.2	0	0	0	112.4	N212	D210-N212 PolarHBondContact O-N 3.3Å; D210-N212 WeakPolarHBondContact OD1-CB 3.48Å; D210-N212 PolarHBondContact OD1-N 2.79Å; D210-N212 VanDerWaalsContact OD1-N 3.09Å; D210-N212 PolarHBondContact OD1-ND2 2.71Å; D210-N212 PolarHBondContact OD2-ND2 3.41Å
211	G	83.6	Confident	84.7	Confident	58 Å²	58	58.7 Å²	58.7	60%	0.598	33%	0.327	S	S	*	.			trans	68.6	25.5	177	0	0	0	0	0	112.4	D208 G213	D208-G211 PolarHBondContact O-N 2.71Å; D208-G211 WeakPolarHBondContact OD1-CA 3.03Å; D208-G211 PolarHBondContact OD1-N 3.03Å; G211-G213 PolarHBondContact O-N 3.06Å
212	N	84.8	Confident	84.9	Confident	49 Å²	49	57.9 Å²	57.9	26%	0.262	33%	0.327	S	S	.	.	S	Bend	trans	-77.3	-8	-176.6	72.5	28.9	0	0	0	112.4	D208 D210 Y214	D208-N212 PolarHBondContact OD1-N 3.41Å; D210-N212 PolarHBondContact O-N 3.3Å; D210-N212 WeakPolarHBondContact OD1-CB 3.48Å; D210-N212 PolarHBondContact OD1-N 2.79Å; D210-N212 VanDerWaalsContact OD1-N 3.09Å; D210-N212 PolarHBondContact OD1-ND2 2.71Å; D210-N212 PolarHBondContact OD2-ND2 3.41Å; N212-Y214 HydrophobicContact CB-CD1 4.21Å; N212-Y214 HydrophobicContact CB-CE1 3.75Å; N212-Y214 WeakPolarHBondContact ND2-CE2 3.22Å; N212-Y214 PolarHBondContact ND2-OH 3.18Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.43Å; N212-Y214 WeakPolarHBondContact OD1-CD1 3.48Å; N212-Y214 WeakPolarHBondContact OD1-CD2 3.37Å; N212-Y214 WeakPolarHBondContact OD1-CE1 3.2Å; N212-Y214 PolarHBondContact OD1-N 2.89Å; N212-Y214 PolarHBondContact OD1-O 2.94Å
213	G	84.2	Confident	85	Confident	35 Å²	35	54.8 Å²	54.8	36%	0.361	30%	0.301	S	S	.	.	S	Bend	trans	84.1	9.8	177.6	0	0	0	0	0	114.8	D208 G211	D208-G213 WeakPolarHBondContact OD2-CA 3.25Å; D208-G213 PolarHBondContact OD2-N 2.82Å; D208-G213 VanDerWaalsContact OD2-N 3.07Å; G211-G213 PolarHBondContact O-N 3.06Å
214	Y	87.3	Confident	84.9	Confident	47 Å²	47	53.5 Å²	53.5	18%	0.184	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155	174.6	60.8	-96.1	0	0	0	111	N212 D216 K255 L256 Y257	N212-Y214 HydrophobicContact CB-CD1 4.21Å; N212-Y214 HydrophobicContact CB-CE1 3.75Å; N212-Y214 WeakPolarHBondContact ND2-CE2 3.22Å; N212-Y214 PolarHBondContact ND2-OH 3.18Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.43Å; N212-Y214 WeakPolarHBondContact OD1-CD1 3.48Å; N212-Y214 WeakPolarHBondContact OD1-CD2 3.37Å; N212-Y214 WeakPolarHBondContact OD1-CE1 3.2Å; N212-Y214 PolarHBondContact OD1-N 2.89Å; N212-Y214 PolarHBondContact OD1-O 2.94Å; Y214-D216 HydrophobicContact CE2-CB 4.49Å; Y214-K255 HydrophobicContact CD1-CB 4.34Å; Y214-K255 HydrophobicContact CD1-CD 3.92Å; Y214-K255 HydrophobicContact CD1-CG 4.34Å; Y214-K255 HydrophobicContact CD2-CB 3.69Å; Y214-K255 HydrophobicContact CD2-CD 4.14Å; Y214-K255 HydrophobicContact CD2-CG 3.68Å; Y214-K255 HydrophobicContact CE1-CD 3.72Å; Y214-K255 HydrophobicContact CE1-CG 4.33Å; Y214-K255 HydrophobicContact CE2-CB 4.23Å; Y214-K255 HydrophobicContact CE2-CD 3.96Å; Y214-K255 HydrophobicContact CE2-CG 3.69Å; Y214-K255 HydrophobicContact CG-CB 3.75Å; Y214-K255 HydrophobicContact CG-CD 4.13Å; Y214-K255 HydrophobicContact CG-CG 4.03Å; Y214-L256 CarbonylContact C-O 3.58Å; Y214-L256 VanDerWaalsContact CA-O 3.3Å; Y214-L256 WeakPolarHBondContact CA-O 3.37Å; Y214-Y257 HydrophobicContact CD1-CE1 4.29Å
215	I	88.6	Confident	84.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.1	172.3	-70.1	-165.4	0	0	0	108.4	F204 E219 L220 L223 L256 L261	F204-I215 HydrophobicContact CD2-CD1 3.91Å; F204-I215 HydrophobicContact CD2-CG1 4.18Å; F204-I215 HydrophobicContact CE2-CD1 4.01Å; F204-I215 HydrophobicContact CE2-CG1 3.78Å; F204-I215 HydrophobicContact CG-CD1 4.48Å; F204-I215 HydrophobicContact CZ-CG1 4.04Å; I215-E219 WeakPolarHBondContact CA-OE2 3.33Å; I215-E219 HydrophobicContact CG2-CB 3.73Å; I215-L220 HydrophobicContact CG2-CB 3.82Å; I215-L220 VanDerWaalsContact CG2-N 3.32Å; I215-L223 HydrophobicContact CD1-CD1 3.92Å; I215-L256 HydrophobicContact CB-CB 4.29Å; I215-L256 PolarHBondContact N-O 3.33Å; I215-L256 WeakPolarHBondContact O-CB 3.23Å; I215-L256 PolarHBondContact O-N 2.94Å; I215-L261 HydrophobicContact CD1-CD2 3.73Å
216	D	88.9	Confident	84.5	Confident	46 Å²	46	58.8 Å²	58.8	25%	0.246	30%	0.303	C	S	.	.			trans	-85.5	179	172.7	79.1	22.6	0	0	0	112.8	Y214 Q218 E219 L220	Y214-D216 HydrophobicContact CE2-CB 4.49Å; D216-Q218 VanDerWaalsContact C-N 3.25Å; D216-Q218 PolarHBondContact O-N 2.86Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.12Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.45Å; D216-Q218 PolarHBondContact OD1-N 3.05Å; D216-E219 PolarHBondContact N-OE2 3.4Å; D216-E219 PolarHBondContact O-N 3.31Å; D216-E219 PolarHBondContact OD1-N 3.1Å; D216-L220 WeakPolarHBondContact O-CB 3.5Å; D216-L220 PolarHBondContact O-N 3.24Å
217	E	86.6	Confident	84	Confident	108 Å²	108	53 Å²	53	51%	0.505	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-32.6	-178.3	-170.5	-175.9	168.8	0	0	113.5	D221 K244 M248	E217-D221 PolarHBondContact O-N 3.45Å; E217-K244 VanDerWaalsContact CG-NZ 3.26Å; E217-K244 VanDerWaalsContact O-CE 3.29Å; E217-K244 WeakPolarHBondContact O-CE 3.33Å; E217-K244 VanDerWaalsContact OE1-CE 3.22Å; E217-K244 WeakPolarHBondContact OE1-CE 3.11Å; E217-K244 IonicContact OE1-NZ 2.85Å; E217-K244 PolarHBondContact OE1-NZ 3.44Å; E217-M248 HydrophobicContact CB-CE 4.15Å; E217-M248 HydrophobicContact CB-SD 4.36Å; E217-M248 HydrophobicContact CG-CG 4.48Å
218	Q	86.5	Confident	83.3	Confident	158 Å²	158	53.6 Å²	53.6	74%	0.738	28%	0.28	S	S	*	.	H	α-helix	trans	-78.8	-41.8	-178.5	-58.5	176.6	15.2	0	0	110.7	D216 D221 A222	D216-Q218 VanDerWaalsContact C-N 3.25Å; D216-Q218 PolarHBondContact O-N 2.86Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.12Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.45Å; D216-Q218 PolarHBondContact OD1-N 3.05Å; Q218-D221 WeakPolarHBondContact O-CB 3.27Å; Q218-D221 PolarHBondContact O-N 2.84Å; Q218-A222 PolarHBondContact O-N 2.93Å
219	E	88.1	Confident	82.6	Confident	21 Å²	21	59.5 Å²	59.5	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-38.7	175.4	-67.5	173.6	143.2	0	0	111.4	Y207 K209 I215 D216 D221 A222 L223	Y207-E219 VanDerWaalsContact O-CD 3.24Å; Y207-E219 WeakPolarHBondContact O-CG 3.49Å; K209-E219 PolarHBondContact N-OE1 2.85Å; K209-E219 VanDerWaalsContact N-OE1 3.11Å; I215-E219 WeakPolarHBondContact CA-OE2 3.33Å; I215-E219 HydrophobicContact CG2-CB 3.73Å; D216-E219 PolarHBondContact N-OE2 3.4Å; D216-E219 PolarHBondContact O-N 3.31Å; D216-E219 PolarHBondContact OD1-N 3.1Å; E219-D221 VanDerWaalsContact C-N 3.35Å; E219-D221 PolarHBondContact O-N 3.36Å; E219-A222 PolarHBondContact O-N 3.1Å; E219-L223 WeakPolarHBondContact O-CB 3.47Å; E219-L223 PolarHBondContact O-N 3.04Å
220	L	85.9	Confident	82.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-40.8	173.1	-178.6	67.5	0	0	0	111.7	I215 D216 A222 L223 L224 K244 I247 M248 L256 L261	I215-L220 HydrophobicContact CG2-CB 3.82Å; I215-L220 VanDerWaalsContact CG2-N 3.32Å; D216-L220 WeakPolarHBondContact O-CB 3.5Å; D216-L220 PolarHBondContact O-N 3.24Å; L220-A222 VanDerWaalsContact C-N 3.31Å; L220-A222 PolarHBondContact O-N 3.27Å; L220-L223 HydrophobicContact CD1-CD2 4.22Å; L220-L223 PolarHBondContact O-N 3.25Å; L220-L224 HydrophobicContact CD1-CD1 4.14Å; L220-L224 HydrophobicContact CD1-CD2 4.48Å; L220-L224 HydrophobicContact CD1-CG 4.03Å; L220-L224 HydrophobicContact CD2-CD1 4.35Å; L220-L224 HydrophobicContact CG-CD1 3.9Å; L220-L224 HydrophobicContact CG-CG 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.35Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.29Å; L220-L224 PolarHBondContact O-N 3.23Å; L220-K244 HydrophobicContact CD2-CG 4Å; L220-I247 HydrophobicContact CD1-CG2 3.99Å; L220-I247 HydrophobicContact CD2-CB 4.1Å; L220-I247 HydrophobicContact CD2-CG2 4Å; L220-M248 HydrophobicContact CD2-CG 3.63Å; L220-M248 HydrophobicContact CD2-SD 3.56Å; L220-M248 VanDerWaalsContact CD2-SD 3.56Å; L220-L256 HydrophobicContact CB-CD1 4.47Å; L220-L256 HydrophobicContact CD1-CD1 4.14Å; L220-L256 HydrophobicContact CD2-CD1 3.71Å; L220-L256 HydrophobicContact CG-CD1 4.31Å; L220-L261 HydrophobicContact CD1-CD1 4.05Å
221	D	84.6	Confident	81.2	Confident	40 Å²	40	57.7 Å²	57.7	21%	0.214	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-43.7	178	-162.3	87.4	0	0	0	111.1	E217 Q218 E219 R225 K244	E217-D221 PolarHBondContact O-N 3.45Å; Q218-D221 WeakPolarHBondContact O-CB 3.27Å; Q218-D221 PolarHBondContact O-N 2.84Å; E219-D221 VanDerWaalsContact C-N 3.35Å; E219-D221 PolarHBondContact O-N 3.36Å; D221-R225 VanDerWaalsContact O-CG 3.31Å; D221-R225 WeakPolarHBondContact O-CG 3.33Å; D221-R225 PolarHBondContact O-N 2.99Å; D221-R225 VanDerWaalsContact O-N 3.1Å; D221-R225 IonicContact OD2-CZ 2.8Å; D221-R225 IonicContact OD2-NE 3.86Å; D221-R225 PolarHBondContact OD2-NE 3.19Å; D221-R225 IonicContact OD2-NH2 3.76Å; D221-R225 PolarHBondContact OD2-NH2 2.83Å; D221-K244 IonicContact OD1-NZ 3.61Å
222	A	85.5	Confident	79.9	Confident	34 Å²	34	64.1 Å²	64.1	28%	0.281	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-46	176.4	0	0	0	0	0	112	Y207 Q218 E219 L220 L224 R225 D226	Y207-A222 HydrophobicContact CD1-CB 4.05Å; Y207-A222 HydrophobicContact CE1-CB 4.05Å; Q218-A222 PolarHBondContact O-N 2.93Å; E219-A222 PolarHBondContact O-N 3.1Å; L220-A222 VanDerWaalsContact C-N 3.31Å; L220-A222 PolarHBondContact O-N 3.27Å; A222-L224 PolarHBondContact O-N 3.42Å; A222-R225 PolarHBondContact O-N 3.07Å; A222-D226 PolarHBondContact O-N 2.95Å; A222-D226 VanDerWaalsContact O-N 3.14Å
223	L	84.1	Confident	78.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.1	-46.1	177.8	175.7	143.1	0	0	0	111.7	I203 Y207 I215 E219 L220 D226 L227 L261 L265	I203-L223 HydrophobicContact CG2-CD1 3.47Å; I203-L223 VanDerWaalsContact CG2-CD1 3.47Å; I203-L223 HydrophobicContact CG2-CG 4.23Å; Y207-L223 HydrophobicContact CD1-CB 4Å; Y207-L223 HydrophobicContact CD2-CB 3.88Å; Y207-L223 HydrophobicContact CD2-CD1 3.64Å; Y207-L223 HydrophobicContact CD2-CG 4.02Å; Y207-L223 HydrophobicContact CE1-CB 4.22Å; Y207-L223 HydrophobicContact CE2-CB 4.11Å; Y207-L223 HydrophobicContact CE2-CD1 4.2Å; Y207-L223 HydrophobicContact CE2-CG 4.18Å; Y207-L223 HydrophobicContact CG-CB 3.85Å; Y207-L223 HydrophobicContact CG-CD1 4.16Å; Y207-L223 HydrophobicContact CG-CG 4.45Å; I215-L223 HydrophobicContact CD1-CD1 3.92Å; E219-L223 WeakPolarHBondContact O-CB 3.47Å; E219-L223 PolarHBondContact O-N 3.04Å; L220-L223 HydrophobicContact CD1-CD2 4.22Å; L220-L223 PolarHBondContact O-N 3.25Å; L223-D226 PolarHBondContact O-N 3.23Å; L223-L227 HydrophobicContact CD2-CD1 3.62Å; L223-L227 HydrophobicContact CD2-CG 4.49Å; L223-L227 HydrophobicContact CG-CD1 4.18Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 2.98Å; L223-L261 HydrophobicContact CD1-CD2 4.13Å; L223-L265 HydrophobicContact CD2-CD1 3.96Å
224	L	79.3	Confident	76.7	Confident	1 Å²	1	75 Å²	75	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-66	-44.1	-179.4	-67.8	174.1	0	0	0	111.1	F190 L220 A222 D226 L227 Y228 L240 K244 I247	F190-L224 HydrophobicContact CE1-CD2 4.37Å; F190-L224 HydrophobicContact CE2-CD2 4.45Å; F190-L224 HydrophobicContact CZ-CD2 3.66Å; L220-L224 HydrophobicContact CD1-CD1 4.14Å; L220-L224 HydrophobicContact CD1-CD2 4.48Å; L220-L224 HydrophobicContact CD1-CG 4.03Å; L220-L224 HydrophobicContact CD2-CD1 4.35Å; L220-L224 HydrophobicContact CG-CD1 3.9Å; L220-L224 HydrophobicContact CG-CG 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.35Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.29Å; L220-L224 PolarHBondContact O-N 3.23Å; A222-L224 PolarHBondContact O-N 3.42Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.74Å; L224-L227 PolarHBondContact O-N 3.13Å; L224-Y228 VanDerWaalsContact O-CD2 3.24Å; L224-Y228 WeakPolarHBondContact O-CD2 3.35Å; L224-Y228 PolarHBondContact O-N 3.37Å; L224-L240 HydrophobicContact CB-CD1 3.71Å; L224-L240 HydrophobicContact CD1-CD1 4.5Å; L224-K244 HydrophobicContact CD1-CB 3.96Å; L224-K244 HydrophobicContact CD1-CG 4.45Å; L224-I247 HydrophobicContact CD1-CD1 4.34Å; L224-I247 HydrophobicContact CD2-CD1 3.79Å
225	R	80.1	Confident	74.9	Confident	139 Å²	139	76.4 Å²	76.4	53%	0.525	36%	0.36	S	S	.	.	H	α-helix	trans	-55.5	-48.6	176.8	-74.9	178.3	-166.4	-148.8	4.7	112.1	D221 A222 L227 Y228 E229 L240	D221-R225 VanDerWaalsContact O-CG 3.31Å; D221-R225 WeakPolarHBondContact O-CG 3.33Å; D221-R225 PolarHBondContact O-N 2.99Å; D221-R225 VanDerWaalsContact O-N 3.1Å; D221-R225 IonicContact OD2-CZ 2.8Å; D221-R225 IonicContact OD2-NE 3.86Å; D221-R225 PolarHBondContact OD2-NE 3.19Å; D221-R225 IonicContact OD2-NH2 3.76Å; D221-R225 PolarHBondContact OD2-NH2 2.83Å; A222-R225 PolarHBondContact O-N 3.07Å; R225-L227 PolarHBondContact O-N 2.99Å; R225-Y228 PolarHBondContact O-N 3.48Å; R225-E229 WeakPolarHBondContact O-CG 3.25Å; R225-E229 PolarHBondContact O-N 2.84Å; R225-L240 HydrophobicContact CG-CD2 4.12Å
226	D	79.1	Confident	73.5	Confident	60 Å²	60	80.5 Å²	80.5	32%	0.321	38%	0.383	S	S	.	.	H	α-helix	trans	-68.8	-36.2	-177.6	-74.7	1.3	0	0	0	112.3	Y207 A222 L223 L224 Y228 K230	Y207-D226 WeakPolarHBondContact OH-CB 3.17Å; Y207-D226 PolarHBondContact OH-OD2 2.79Å; A222-D226 PolarHBondContact O-N 2.95Å; A222-D226 VanDerWaalsContact O-N 3.14Å; L223-D226 PolarHBondContact O-N 3.23Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.74Å; D226-Y228 VanDerWaalsContact C-N 3.32Å; D226-K230 WeakPolarHBondContact O-CB 3.46Å; D226-K230 PolarHBondContact O-N 2.92Å
227	L	73.9	Confident	72	Confident	10 Å²	10	83 Å²	83	5%	0.052	40%	0.4	C	S	.	.	H	α-helix	trans	-62.9	-39.3	172.1	-75.7	177.4	0	0	0	111.7	F190 I193 L195 I203 L223 L224 R225 N231 L265	F190-L227 HydrophobicContact CE1-CD1 4.5Å; I193-L227 HydrophobicContact CD1-CB 4.46Å; I193-L227 HydrophobicContact CG2-CD2 4.26Å; L195-L227 HydrophobicContact CD1-CD2 4.12Å; I203-L227 HydrophobicContact CD1-CD2 4.35Å; L223-L227 HydrophobicContact CD2-CD1 3.62Å; L223-L227 HydrophobicContact CD2-CG 4.49Å; L223-L227 HydrophobicContact CG-CD1 4.18Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 3.13Å; R225-L227 PolarHBondContact O-N 2.99Å; L227-N231 WeakPolarHBondContact O-CB 3.2Å; L227-N231 PolarHBondContact O-N 2.87Å; L227-N231 PolarHBondContact O-ND2 3.46Å; L227-L265 HydrophobicContact CD1-CD1 4.2Å; L227-L265 HydrophobicContact CD1-CD2 4.13Å
228	Y	71.2	Confident	70.8	Confident	30 Å²	30	85.4 Å²	85.4	12%	0.118	41%	0.408	C	S	.	.	H	α-helix	trans	-69.5	-44.5	176.8	-91	-82	0	0	0	112.4	F190 L224 R225 D226 K230 N231 K232 V235 L240 Y243	F190-Y228 AromaticContact CE2-CE2 3.67Å; F190-Y228 HydrophobicContact CE2-CE2 3.67Å; F190-Y228 AromaticContact CE2-CZ 3.82Å; F190-Y228 WeakPolarHBondContact CE2-OH 3.09Å; F190-Y228 AromaticContact CZ-CE2 3.75Å; F190-Y228 HydrophobicContact CZ-CE2 3.75Å; L224-Y228 VanDerWaalsContact O-CD2 3.24Å; L224-Y228 WeakPolarHBondContact O-CD2 3.35Å; L224-Y228 PolarHBondContact O-N 3.37Å; R225-Y228 PolarHBondContact O-N 3.48Å; D226-Y228 VanDerWaalsContact C-N 3.32Å; Y228-K230 VanDerWaalsContact C-N 3.35Å; Y228-K230 PolarHBondContact O-N 3.08Å; Y228-N231 PolarHBondContact O-N 2.8Å; Y228-K232 PolarHBondContact O-N 2.91Å; Y228-V235 HydrophobicContact CD1-CG2 4.42Å; Y228-L240 HydrophobicContact CD2-CD1 3.61Å; Y228-L240 HydrophobicContact CE2-CD1 3.8Å; Y228-L240 HydrophobicContact CG-CD1 4.49Å; Y228-Y243 HydrophobicContact CE2-CD2 4.04Å; Y228-Y243 HydrophobicContact CE2-CE2 4.4Å; Y228-Y243 AromaticContact CZ-CD2 3.81Å; Y228-Y243 AromaticContact CZ-CE2 3.71Å; Y228-Y243 WeakPolarHBondContact OH-CD2 3.38Å; Y228-Y243 WeakPolarHBondContact OH-CE2 3.25Å
229	E	72.9	Confident	69.9	Low	146 Å²	146	80.3 Å²	80.3	68%	0.682	39%	0.386	S	S	*	.	H	α-helix	trans	-60.4	-43	177.2	-75.2	-173.7	-179.1	0	0	112.1	R225 N231	R225-E229 WeakPolarHBondContact O-CG 3.25Å; R225-E229 PolarHBondContact O-N 2.84Å; E229-N231 VanDerWaalsContact C-N 3.33Å; E229-N231 PolarHBondContact O-N 3.45Å
230	K	68.4	Low	69.1	Low	165 Å²	165	80.2 Å²	80.2	72%	0.717	39%	0.386	S	S	*	.	H	α-helix	trans	-65.8	-33.4	177.5	-82.1	-178.1	176.7	173.2	0	113.4	D226 Y228	D226-K230 WeakPolarHBondContact O-CB 3.46Å; D226-K230 PolarHBondContact O-N 2.92Å; Y228-K230 VanDerWaalsContact C-N 3.35Å; Y228-K230 PolarHBondContact O-N 3.08Å
231	N	61.8	Low	68.6	Low	65 Å²	65	85.1 Å²	85.1	35%	0.348	41%	0.412	S	S	.	.	H	α-helix	trans	-89	-0.2	-175.5	-76.5	-67.4	0	0	0	114.5	I193 L227 Y228 E229 K233	I193-N231 WeakPolarHBondContact CG1-ND2 3.4Å; L227-N231 WeakPolarHBondContact O-CB 3.2Å; L227-N231 PolarHBondContact O-N 2.87Å; L227-N231 PolarHBondContact O-ND2 3.46Å; Y228-N231 PolarHBondContact O-N 2.8Å; E229-N231 VanDerWaalsContact C-N 3.33Å; E229-N231 PolarHBondContact O-N 3.45Å; N231-K233 PolarHBondContact O-N 2.92Å
232	K	56	Low	68.1	Low	193 Å²	193	87.1 Å²	87.1	84%	0.839	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	26.2	174.6	-67.1	-170.6	177	-178.2	0	115.2	Y228	Y228-K232 PolarHBondContact O-N 2.91Å
233	K	55.6	Low	67.6	Low	116 Å²	116	86.2 Å²	86.2	50%	0.504	41%	0.411	S	S	.	.			trans	-82	133.4	169.2	-72.4	-170.5	177.1	-176.4	0	107.3	N231 V235	N231-K233 PolarHBondContact O-N 2.92Å; K233-V235 PolarHBondContact O-N 3.44Å
234	E	46.3	Very low	67.5	Low	197 Å²	197	87.8 Å²	87.8	92%	0.921	42%	0.418	S	S	*	.			trans	-49.3	117.7	178.4	-69.2	-173.8	153.9	0	0	109.8	D236	E234-D236 PolarHBondContact O-N 3.23Å; E234-D236 VanDerWaalsContact O-N 3.09Å
235	V	50.8	Low	67.6	Low	75 Å²	75	94 Å²	94	46%	0.455	45%	0.446	S	S	.	.			trans	-77	99	-175.6	178.3	0	0	0	0	108.1	Y228 K233 T237	Y228-V235 HydrophobicContact CD1-CG2 4.42Å; K233-V235 PolarHBondContact O-N 3.44Å; V235-T237 HydrophobicContact CG1-CG2 4.25Å; V235-T237 PolarHBondContact O-N 3.26Å
236	D	57.2	Low	67.5	Low	87 Å²	87	87.5 Å²	87.5	47%	0.465	42%	0.421	S	S	.	.			trans	-77.1	101.1	157.6	-168.7	-12.2	0	0	0	107.5	E234 K238 N239	E234-D236 PolarHBondContact O-N 3.23Å; E234-D236 VanDerWaalsContact O-N 3.09Å; D236-K238 PolarHBondContact O-N 2.82Å; D236-K238 VanDerWaalsContact O-N 3.07Å; D236-K238 PolarHBondContact OD1-N 2.97Å; D236-N239 HydrophobicContact CB-CB 4.47Å; D236-N239 WeakPolarHBondContact CB-ND2 3.49Å; D236-N239 WeakPolarHBondContact O-CB 3.21Å; D236-N239 PolarHBondContact O-N 3.46Å
237	T	57.8	Low	67.6	Low	99 Å²	99	84.6 Å²	84.6	61%	0.607	41%	0.406	S	S	*	.	H	α-helix	trans	-58.7	-21.3	-175.3	3.8	0	0	0	0	112.6	V235	V235-T237 HydrophobicContact CG1-CG2 4.25Å; V235-T237 PolarHBondContact O-N 3.26Å
238	K	62.8	Low	68.1	Low	157 Å²	157	85.4 Å²	85.4	68%	0.683	41%	0.409	S	S	*	.	H	α-helix	trans	-68.3	-42	172.2	-77	179	174.2	176.9	0	112.2	D236 L240 I241 D242	D236-K238 PolarHBondContact O-N 2.82Å; D236-K238 VanDerWaalsContact O-N 3.07Å; D236-K238 PolarHBondContact OD1-N 2.97Å; K238-L240 VanDerWaalsContact C-N 3.26Å; K238-L240 PolarHBondContact O-N 3.26Å; K238-I241 PolarHBondContact O-N 2.93Å; K238-D242 PolarHBondContact O-N 3.42Å
239	N	66.5	Low	68.7	Low	51 Å²	51	85.1 Å²	85.1	27%	0.273	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-32.5	-178.6	-67.8	-30.4	0	0	0	111.7	D236 I241 D242 Y243	D236-N239 HydrophobicContact CB-CB 4.47Å; D236-N239 WeakPolarHBondContact CB-ND2 3.49Å; D236-N239 WeakPolarHBondContact O-CB 3.21Å; D236-N239 PolarHBondContact O-N 3.46Å; N239-I241 VanDerWaalsContact C-N 3.32Å; N239-I241 PolarHBondContact O-N 3.12Å; N239-D242 PolarHBondContact O-N 3.36Å; N239-Y243 HydrophobicContact CB-CD2 4.31Å; N239-Y243 HydrophobicContact CB-CE2 3.59Å; N239-Y243 WeakPolarHBondContact O-CD2 3.41Å; N239-Y243 WeakPolarHBondContact O-CE2 3.39Å; N239-Y243 PolarHBondContact O-N 2.87Å
240	L	70.9	Confident	69	Low	20 Å²	20	78.4 Å²	78.4	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-40.2	177.8	-170.5	69.4	0	0	0	112.7	L224 R225 Y228 K238 Y243 K244	L224-L240 HydrophobicContact CB-CD1 3.71Å; L224-L240 HydrophobicContact CD1-CD1 4.5Å; R225-L240 HydrophobicContact CG-CD2 4.12Å; Y228-L240 HydrophobicContact CD2-CD1 3.61Å; Y228-L240 HydrophobicContact CE2-CD1 3.8Å; Y228-L240 HydrophobicContact CG-CD1 4.49Å; K238-L240 VanDerWaalsContact C-N 3.26Å; K238-L240 PolarHBondContact O-N 3.26Å; L240-Y243 PolarHBondContact O-N 2.86Å; L240-K244 WeakPolarHBondContact O-CB 3.27Å; L240-K244 PolarHBondContact O-N 3.35Å
241	I	76.7	Confident	69.8	Low	103 Å²	103	71.3 Å²	71.3	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-42	179.4	-63	172.6	0	0	0	110.3	K238 N239 K244 K245	K238-I241 PolarHBondContact O-N 2.93Å; N239-I241 VanDerWaalsContact C-N 3.32Å; N239-I241 PolarHBondContact O-N 3.12Å; I241-K244 PolarHBondContact O-N 3.26Å; I241-K245 PolarHBondContact O-N 3.36Å
242	D	74.5	Confident	70.8	Confident	81 Å²	81	71.1 Å²	71.1	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-69.6	-36.1	178.9	-65.2	-29	0	0	0	111.6	K238 N239 K245 S246	K238-D242 PolarHBondContact O-N 3.42Å; N239-D242 PolarHBondContact O-N 3.36Å; D242-K245 PolarHBondContact O-N 3.49Å; D242-S246 WeakPolarHBondContact O-CB 3.45Å; D242-S246 PolarHBondContact O-N 2.81Å; D242-S246 PolarHBondContact O-OG 2.81Å
243	Y	74.3	Confident	72	Confident	15 Å²	15	65.9 Å²	65.9	6%	0.059	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-47.5	172.4	-60.7	-30.3	0	0	0	112.1	F186 K189 F190 Y228 N239 L240 K245 S246 I247	F186-Y243 HydrophobicContact CB-CD1 3.24Å; F186-Y243 HydrophobicContact CB-CE1 3.27Å; F186-Y243 HydrophobicContact CB-CG 4.47Å; F186-Y243 HydrophobicContact CD2-CD1 4.39Å; F186-Y243 HydrophobicContact CG-CD1 4.15Å; K189-Y243 WeakPolarHBondContact CD-OH 3.41Å; F190-Y243 AromaticContact CE2-CD2 3.98Å; F190-Y243 HydrophobicContact CE2-CD2 3.98Å; F190-Y243 HydrophobicContact CE2-CE2 4.48Å; F190-Y243 HydrophobicContact CE2-CG 4.17Å; Y228-Y243 HydrophobicContact CE2-CD2 4.04Å; Y228-Y243 HydrophobicContact CE2-CE2 4.4Å; Y228-Y243 AromaticContact CZ-CD2 3.81Å; Y228-Y243 AromaticContact CZ-CE2 3.71Å; Y228-Y243 WeakPolarHBondContact OH-CD2 3.38Å; Y228-Y243 WeakPolarHBondContact OH-CE2 3.25Å; N239-Y243 HydrophobicContact CB-CD2 4.31Å; N239-Y243 HydrophobicContact CB-CE2 3.59Å; N239-Y243 WeakPolarHBondContact O-CD2 3.41Å; N239-Y243 WeakPolarHBondContact O-CE2 3.39Å; N239-Y243 PolarHBondContact O-N 2.87Å; L240-Y243 PolarHBondContact O-N 2.86Å; Y243-K245 VanDerWaalsContact C-N 3.32Å; Y243-K245 PolarHBondContact O-N 3.45Å; Y243-S246 PolarHBondContact O-N 3.49Å; Y243-S246 VanDerWaalsContact O-N 3.12Å; Y243-I247 WeakPolarHBondContact O-CG1 3.33Å; Y243-I247 PolarHBondContact O-N 2.92Å
244	K	81.4	Confident	73.3	Confident	34 Å²	34	61.8 Å²	61.8	15%	0.148	34%	0.343	C	S	.	.	H	α-helix	trans	-55.3	-48.7	175.4	-175.2	-171.3	179.9	-171.6	0	110.9	E217 L220 D221 L224 L240 I241 S246 I247 M248	E217-K244 VanDerWaalsContact CG-NZ 3.26Å; E217-K244 VanDerWaalsContact O-CE 3.29Å; E217-K244 WeakPolarHBondContact O-CE 3.33Å; E217-K244 VanDerWaalsContact OE1-CE 3.22Å; E217-K244 WeakPolarHBondContact OE1-CE 3.11Å; E217-K244 IonicContact OE1-NZ 2.85Å; E217-K244 PolarHBondContact OE1-NZ 3.44Å; L220-K244 HydrophobicContact CD2-CG 4Å; D221-K244 IonicContact OD1-NZ 3.61Å; L224-K244 HydrophobicContact CD1-CB 3.96Å; L224-K244 HydrophobicContact CD1-CG 4.45Å; L240-K244 WeakPolarHBondContact O-CB 3.27Å; L240-K244 PolarHBondContact O-N 3.35Å; I241-K244 PolarHBondContact O-N 3.26Å; K244-S246 VanDerWaalsContact C-N 3.34Å; K244-S246 PolarHBondContact O-N 3.24Å; K244-I247 PolarHBondContact O-N 3.41Å; K244-M248 HydrophobicContact CG-CG 4.44Å; K244-M248 VanDerWaalsContact O-CB 3.32Å; K244-M248 WeakPolarHBondContact O-CB 3.16Å; K244-M248 VanDerWaalsContact O-CG 3.25Å; K244-M248 WeakPolarHBondContact O-CG 3.12Å; K244-M248 PolarHBondContact O-N 2.88Å
245	K	82.4	Confident	75.3	Confident	132 Å²	132	56.1 Å²	56.1	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-59.3	-42.8	175.7	-83.6	-177.4	176.3	177.2	0	112.8	I241 D242 Y243 A249	I241-K245 PolarHBondContact O-N 3.36Å; D242-K245 PolarHBondContact O-N 3.49Å; Y243-K245 VanDerWaalsContact C-N 3.32Å; Y243-K245 PolarHBondContact O-N 3.45Å; K245-A249 PolarHBondContact O-N 2.94Å
246	S	77.8	Confident	77	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-43.3	-178.6	-55.1	0	0	0	0	111.5	S109 M113 F186 D242 Y243 K244 A249	S109-S246 WeakPolarHBondContact CB-OG 3.36Å; S109-S246 PolarHBondContact OG-OG 3.27Å; M113-S246 WeakPolarHBondContact CG-O 3.28Å; F186-S246 VanDerWaalsContact CE1-CB 3.44Å; D242-S246 WeakPolarHBondContact O-CB 3.45Å; D242-S246 PolarHBondContact O-N 2.81Å; D242-S246 PolarHBondContact O-OG 2.81Å; Y243-S246 PolarHBondContact O-N 3.49Å; Y243-S246 VanDerWaalsContact O-N 3.12Å; K244-S246 VanDerWaalsContact C-N 3.34Å; K244-S246 PolarHBondContact O-N 3.24Å; S246-A249 WeakPolarHBondContact O-CB 3.46Å; S246-A249 PolarHBondContact O-N 2.91Å
247	I	80.1	Confident	78.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-44.6	177.1	-61.4	171.7	0	0	0	110.1	F186 L220 L224 Y243 K244 A249 L250 L256 L261 V264	F186-I247 HydrophobicContact CE2-CG1 4.05Å; L220-I247 HydrophobicContact CD1-CG2 3.99Å; L220-I247 HydrophobicContact CD2-CB 4.1Å; L220-I247 HydrophobicContact CD2-CG2 4Å; L224-I247 HydrophobicContact CD1-CD1 4.34Å; L224-I247 HydrophobicContact CD2-CD1 3.79Å; Y243-I247 WeakPolarHBondContact O-CG1 3.33Å; Y243-I247 PolarHBondContact O-N 2.92Å; K244-I247 PolarHBondContact O-N 3.41Å; I247-A249 PolarHBondContact O-N 3.45Å; I247-A249 VanDerWaalsContact O-N 3.13Å; I247-L250 WeakPolarHBondContact O-CB 3.43Å; I247-L250 PolarHBondContact O-N 2.75Å; I247-L256 HydrophobicContact CG2-CD1 3.75Å; I247-L256 HydrophobicContact CG2-CD2 4.25Å; I247-L256 WeakPolarHBondContact O-CD2 3.23Å; I247-L261 HydrophobicContact CG2-CD1 3.84Å; I247-V264 HydrophobicContact CD1-CG1 4.21Å; I247-V264 HydrophobicContact CG1-CG1 4.14Å
248	M	84.5	Confident	79.5	Confident	26 Å²	26	52.8 Å²	52.8	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-21.6	176.2	-73.6	-54.6	-60.2	0	0	113.6	E217 L220 K244 L250 S251 L256	E217-M248 HydrophobicContact CB-CE 4.15Å; E217-M248 HydrophobicContact CB-SD 4.36Å; E217-M248 HydrophobicContact CG-CG 4.48Å; L220-M248 HydrophobicContact CD2-CG 3.63Å; L220-M248 HydrophobicContact CD2-SD 3.56Å; L220-M248 VanDerWaalsContact CD2-SD 3.56Å; K244-M248 HydrophobicContact CG-CG 4.44Å; K244-M248 VanDerWaalsContact O-CB 3.32Å; K244-M248 WeakPolarHBondContact O-CB 3.16Å; K244-M248 VanDerWaalsContact O-CG 3.25Å; K244-M248 WeakPolarHBondContact O-CG 3.12Å; K244-M248 PolarHBondContact O-N 2.88Å; M248-L250 PolarHBondContact O-N 2.74Å; M248-S251 WeakPolarHBondContact O-CB 3.32Å; M248-S251 PolarHBondContact O-N 3.01Å; M248-S251 PolarHBondContact O-OG 2.89Å; M248-L256 HydrophobicContact SD-CD1 3.46Å; M248-L256 WeakPolarHBondContact SD-CD1 3.43Å; M248-L256 HydrophobicContact SD-CG 4.11Å
249	A	83.7	Confident	80.2	Confident	25 Å²	25	47.6 Å²	47.6	21%	0.207	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.9	173	0	0	0	0	0	113.2	S110 M113 K245 S246 I247 S251	S110-A249 WeakPolarHBondContact O-CB 3.37Å; M113-A249 HydrophobicContact CB-CB 3.89Å; K245-A249 PolarHBondContact O-N 2.94Å; S246-A249 WeakPolarHBondContact O-CB 3.46Å; S246-A249 PolarHBondContact O-N 2.91Å; I247-A249 PolarHBondContact O-N 3.45Å; I247-A249 VanDerWaalsContact O-N 3.13Å; A249-S251 VanDerWaalsContact C-N 3.31Å
250	L	79.9	Confident	80.8	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.3	166.8	-67.2	177.6	0	0	0	113.7	M113 R117 I247 M248 L256 E260 V264	M113-L250 HydrophobicContact CB-CD2 4.05Å; M113-L250 HydrophobicContact CB-CG 4.18Å; M113-L250 HydrophobicContact CE-CD1 3.24Å; M113-L250 HydrophobicContact CE-CD2 3.57Å; M113-L250 HydrophobicContact CE-CG 3.37Å; R117-L250 HydrophobicContact CB-CD2 4.39Å; R117-L250 VanDerWaalsContact CD-O 3.31Å; R117-L250 WeakPolarHBondContact CD-O 3.43Å; R117-L250 PolarHBondContact NE-O 2.95Å; I247-L250 WeakPolarHBondContact O-CB 3.43Å; I247-L250 PolarHBondContact O-N 2.75Å; M248-L250 PolarHBondContact O-N 2.74Å; L250-L256 HydrophobicContact CB-CD2 4.09Å; L250-E260 HydrophobicContact CB-CB 4.32Å; L250-V264 HydrophobicContact CD1-CG2 3.42Å; L250-V264 VanDerWaalsContact CD1-CG2 3.42Å
251	S	84.7	Confident	81.2	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.112	25%	0.246	C	C	.	.	S	Bend	trans	-72.9	151.3	-173.6	76.4	0	0	0	0	112.8	R117 M248 A249 G253 G254 K255	R117-S251 VanDerWaalsContact CZ-O 3.31Å; R117-S251 PolarHBondContact NE-O 2.92Å; R117-S251 PolarHBondContact NH1-O 2.92Å; M248-S251 WeakPolarHBondContact O-CB 3.32Å; M248-S251 PolarHBondContact O-N 3.01Å; M248-S251 PolarHBondContact O-OG 2.89Å; A249-S251 VanDerWaalsContact C-N 3.31Å; S251-G253 PolarHBondContact O-N 2.85Å; S251-G254 WeakPolarHBondContact OG-CA 3.49Å; S251-G254 PolarHBondContact OG-N 3.17Å; S251-G254 VanDerWaalsContact OG-N 3.11Å; S251-K255 CarbonylContact C-O 3.6Å; S251-K255 WeakPolarHBondContact CA-O 3.34Å
252	D	82.6	Confident	81.2	Confident	62 Å²	62	42.3 Å²	42.3	33%	0.332	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-86.3	91.1	168.3	-140	-13.6	0	0	0	111.7	R117 R123 G254 K255 Y257	R117-D252 VanDerWaalsContact CZ-CA 3.49Å; R117-D252 IonicContact CZ-OD1 3.55Å; R117-D252 IonicContact CZ-OD2 2.97Å; R117-D252 IonicContact NH1-OD1 3.75Å; R117-D252 PolarHBondContact NH1-OD1 3.35Å; R117-D252 IonicContact NH1-OD2 3.44Å; R117-D252 VanDerWaalsContact NH2-CA 3.29Å; R117-D252 IonicContact NH2-OD1 2.76Å; R117-D252 PolarHBondContact NH2-OD1 2.9Å; R117-D252 IonicContact NH2-OD2 3.64Å; R117-D252 PolarHBondContact NH2-OD2 3.47Å; R117-D252 VanDerWaalsContact NH2-OD2 3.1Å; R123-D252 IonicContact CZ-OD2 3.55Å; R123-D252 IonicContact NH1-OD2 2.8Å; R123-D252 IonicContact NH2-OD2 3.96Å; R123-D252 PolarHBondContact NH2-OD2 3.03Å; D252-G254 PolarHBondContact O-N 3.49Å; D252-K255 PolarHBondContact N-O 3.46Å; D252-K255 WeakPolarHBondContact O-CB 3.28Å; D252-K255 PolarHBondContact O-N 3.34Å; D252-K255 VanDerWaalsContact O-N 3.17Å; D252-Y257 HydrophobicContact CB-CD2 4.37Å; D252-Y257 HydrophobicContact CB-CE2 3.87Å
253	G	81.9	Confident	81.2	Confident	83 Å²	83	40.4 Å²	40.4	86%	0.856	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	36	179.9	0	0	0	0	0	112.9	S251	S251-G253 PolarHBondContact O-N 2.85Å
254	G	82.8	Confident	81.1	Confident	29 Å²	29	40.6 Å²	40.6	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	4.3	-178.2	0	0	0	0	0	115	S251 D252	S251-G254 WeakPolarHBondContact OG-CA 3.49Å; S251-G254 PolarHBondContact OG-N 3.17Å; S251-G254 VanDerWaalsContact OG-N 3.11Å; D252-G254 PolarHBondContact O-N 3.49Å
255	K	87.1	Confident	80.6	Confident	79 Å²	79	39.1 Å²	39.1	34%	0.343	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-110.4	113.5	178.9	-57.3	-175.9	176.2	-169.3	0	110.7	Y214 S251 D252 Y257	Y214-K255 HydrophobicContact CD1-CB 4.34Å; Y214-K255 HydrophobicContact CD1-CD 3.92Å; Y214-K255 HydrophobicContact CD1-CG 4.34Å; Y214-K255 HydrophobicContact CD2-CB 3.69Å; Y214-K255 HydrophobicContact CD2-CD 4.14Å; Y214-K255 HydrophobicContact CD2-CG 3.68Å; Y214-K255 HydrophobicContact CE1-CD 3.72Å; Y214-K255 HydrophobicContact CE1-CG 4.33Å; Y214-K255 HydrophobicContact CE2-CB 4.23Å; Y214-K255 HydrophobicContact CE2-CD 3.96Å; Y214-K255 HydrophobicContact CE2-CG 3.69Å; Y214-K255 HydrophobicContact CG-CB 3.75Å; Y214-K255 HydrophobicContact CG-CD 4.13Å; Y214-K255 HydrophobicContact CG-CG 4.03Å; S251-K255 CarbonylContact C-O 3.6Å; S251-K255 WeakPolarHBondContact CA-O 3.34Å; D252-K255 PolarHBondContact N-O 3.46Å; D252-K255 WeakPolarHBondContact O-CB 3.28Å; D252-K255 PolarHBondContact O-N 3.34Å; D252-K255 VanDerWaalsContact O-N 3.17Å; K255-Y257 HydrophobicContact CB-CE2 4Å
256	L	86.4	Confident	79.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.4	174.8	-74.7	163.4	0	0	0	110.2	Y214 I215 L220 I247 M248 L250 E260 L261	Y214-L256 CarbonylContact C-O 3.58Å; Y214-L256 VanDerWaalsContact CA-O 3.3Å; Y214-L256 WeakPolarHBondContact CA-O 3.37Å; I215-L256 HydrophobicContact CB-CB 4.29Å; I215-L256 PolarHBondContact N-O 3.33Å; I215-L256 WeakPolarHBondContact O-CB 3.23Å; I215-L256 PolarHBondContact O-N 2.94Å; L220-L256 HydrophobicContact CB-CD1 4.47Å; L220-L256 HydrophobicContact CD1-CD1 4.14Å; L220-L256 HydrophobicContact CD2-CD1 3.71Å; L220-L256 HydrophobicContact CG-CD1 4.31Å; I247-L256 HydrophobicContact CG2-CD1 3.75Å; I247-L256 HydrophobicContact CG2-CD2 4.25Å; I247-L256 WeakPolarHBondContact O-CD2 3.23Å; M248-L256 HydrophobicContact SD-CD1 3.46Å; M248-L256 WeakPolarHBondContact SD-CD1 3.43Å; M248-L256 HydrophobicContact SD-CG 4.11Å; L250-L256 HydrophobicContact CB-CD2 4.09Å; L256-E260 WeakPolarHBondContact CA-OE2 3.16Å; L256-E260 HydrophobicContact CD2-CB 4.28Å; L256-L261 HydrophobicContact CD1-CD1 4.47Å
257	Y	86.3	Confident	78.8	Confident	79 Å²	79	37.5 Å²	37.5	31%	0.31	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	160.4	175.2	-67.6	-82.3	0	0	0	110.8	Y214 D252 K255 S259 E260 L261	Y214-Y257 HydrophobicContact CD1-CE1 4.29Å; D252-Y257 HydrophobicContact CB-CD2 4.37Å; D252-Y257 HydrophobicContact CB-CE2 3.87Å; K255-Y257 HydrophobicContact CB-CE2 4Å; Y257-S259 VanDerWaalsContact C-N 3.27Å; Y257-S259 PolarHBondContact O-N 3.42Å; Y257-E260 PolarHBondContact N-OE2 3.19Å; Y257-E260 PolarHBondContact O-N 3.03Å; Y257-E260 VanDerWaalsContact O-N 3.07Å; Y257-L261 PolarHBondContact O-N 3.36Å; Y257-L261 VanDerWaalsContact O-N 3.16Å
258	R	81.7	Confident	77.3	Confident	111 Å²	111	43.7 Å²	43.7	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-49.9	-46.3	179.6	-176.8	178	160.7	167.9	-10.1	113.1	F200 N201 F204 E260 L261 E262	F200-R258 HydrophobicContact CE1-CG 3.73Å; F200-R258 HydrophobicContact CZ-CG 4.3Å; N201-R258 VanDerWaalsContact CG-NH2 3.32Å; N201-R258 PolarHBondContact ND2-NH2 2.98Å; N201-R258 PolarHBondContact OD1-NE 2.9Å; N201-R258 PolarHBondContact OD1-NH1 2.9Å; N201-R258 PolarHBondContact OD1-NH2 2.96Å; F204-R258 HydrophobicContact CD2-CB 4.39Å; F204-R258 HydrophobicContact CD2-CG 4.42Å; F204-R258 HydrophobicContact CE1-CB 4.32Å; F204-R258 VanDerWaalsContact CE2-CA 3.48Å; F204-R258 HydrophobicContact CE2-CB 3.97Å; F204-R258 HydrophobicContact CE2-CG 4.49Å; F204-R258 HydrophobicContact CZ-CB 3.94Å; R258-E260 VanDerWaalsContact C-N 3.34Å; R258-E260 PolarHBondContact O-N 3.4Å; R258-L261 PolarHBondContact O-N 3.35Å; R258-E262 IonicContact NE-OE2 3.93Å; R258-E262 VanDerWaalsContact O-CB 3.22Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 PolarHBondContact O-N 3.35Å
259	S	78.3	Confident	75.1	Confident	48 Å²	48	47.2 Å²	47.2	34%	0.336	27%	0.265	S	S	.	.	H	α-helix	trans	-58.7	-44	179.9	52.7	0	0	0	0	112.2	Y257 L261 E262 I263	Y257-S259 VanDerWaalsContact C-N 3.27Å; Y257-S259 PolarHBondContact O-N 3.42Å; S259-L261 PolarHBondContact O-N 3.45Å; S259-E262 PolarHBondContact O-N 3.27Å; S259-I263 WeakPolarHBondContact O-CD1 3.39Å; S259-I263 WeakPolarHBondContact O-CG1 3.35Å; S259-I263 PolarHBondContact O-N 3.17Å; S259-I263 VanDerWaalsContact O-N 3.17Å
260	E	79.4	Confident	72.9	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-41.4	-178.7	-66.2	161.4	168	0	0	111.6	R117 R123 L250 L256 Y257 R258	R117-E260 IonicContact CZ-OE1 2.77Å; R117-E260 IonicContact NE-OE1 3.18Å; R117-E260 PolarHBondContact NE-OE1 3.29Å; R117-E260 IonicContact NH2-OE1 3.7Å; R117-E260 PolarHBondContact NH2-OE1 3.43Å; R123-E260 IonicContact NH1-OE1 2.78Å; L250-E260 HydrophobicContact CB-CB 4.32Å; L256-E260 WeakPolarHBondContact CA-OE2 3.16Å; L256-E260 HydrophobicContact CD2-CB 4.28Å; Y257-E260 PolarHBondContact N-OE2 3.19Å; Y257-E260 PolarHBondContact O-N 3.03Å; Y257-E260 VanDerWaalsContact O-N 3.07Å; R258-E260 VanDerWaalsContact C-N 3.34Å; R258-E260 PolarHBondContact O-N 3.4Å
261	L	78.8	Confident	70.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-76.7	-31.7	179.9	-161.6	75.3	0	0	0	112.3	F200 F204 I215 L220 L223 I247 L256 Y257 R258 S259 I263 V264 L265	F200-L261 HydrophobicContact CE2-CB 4.09Å; F200-L261 HydrophobicContact CE2-CD2 3.9Å; F200-L261 HydrophobicContact CE2-CG 3.94Å; F200-L261 HydrophobicContact CZ-CB 3.98Å; F200-L261 HydrophobicContact CZ-CD2 4.26Å; F200-L261 HydrophobicContact CZ-CG 4.31Å; F204-L261 HydrophobicContact CD2-CD2 3.87Å; F204-L261 HydrophobicContact CE2-CD2 4.18Å; I215-L261 HydrophobicContact CD1-CD2 3.73Å; L220-L261 HydrophobicContact CD1-CD1 4.05Å; L223-L261 HydrophobicContact CD1-CD2 4.13Å; I247-L261 HydrophobicContact CG2-CD1 3.84Å; L256-L261 HydrophobicContact CD1-CD1 4.47Å; Y257-L261 PolarHBondContact O-N 3.36Å; Y257-L261 VanDerWaalsContact O-N 3.16Å; R258-L261 PolarHBondContact O-N 3.35Å; S259-L261 PolarHBondContact O-N 3.45Å; L261-I263 VanDerWaalsContact C-N 3.32Å; L261-V264 PolarHBondContact O-N 3.24Å; L261-L265 HydrophobicContact CD1-CD1 4.13Å; L261-L265 HydrophobicContact CD2-CD1 3.98Å; L261-L265 HydrophobicContact CG-CD1 3.73Å; L261-L265 HydrophobicContact CG-CG 4.28Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 PolarHBondContact O-N 3.18Å
262	E	77.7	Confident	69.9	Low	54 Å²	54	61.5 Å²	61.5	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-40	175.8	-165.2	161.5	-169.4	0	0	110.4	F200 R258 S259 V264 L265 C266	F200-E262 HydrophobicContact CD1-CB 4.34Å; F200-E262 HydrophobicContact CD1-CG 4.12Å; F200-E262 HydrophobicContact CE1-CB 3.62Å; F200-E262 HydrophobicContact CE1-CG 3.88Å; F200-E262 HydrophobicContact CE2-CB 4.42Å; F200-E262 VanDerWaalsContact CZ-CA 3.5Å; F200-E262 HydrophobicContact CZ-CB 3.68Å; F200-E262 HydrophobicContact CZ-CG 4.34Å; F200-E262 VanDerWaalsContact CZ-N 3.31Å; R258-E262 IonicContact NE-OE2 3.93Å; R258-E262 VanDerWaalsContact O-CB 3.22Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 PolarHBondContact O-N 3.35Å; S259-E262 PolarHBondContact O-N 3.27Å; E262-V264 PolarHBondContact O-N 3.28Å; E262-L265 PolarHBondContact O-N 2.93Å; E262-C266 HydrophobicContact CG-CB 3.71Å; E262-C266 WeakPolarHBondContact O-CA 3.26Å; E262-C266 VanDerWaalsContact O-CB 3.28Å; E262-C266 WeakPolarHBondContact O-CB 3.36Å; E262-C266 PolarHBondContact O-N 2.87Å
263	I	73.8	Confident	69.2	Low	41 Å²	41	61.4 Å²	61.4	21%	0.21	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-35.7	175.9	-64.8	159.5	0	0	0	112.1	L173 S259 L261	L173-I263 HydrophobicContact CB-CG2 3.67Å; L173-I263 HydrophobicContact CD2-CG2 3.54Å; L173-I263 HydrophobicContact CG-CG2 4.15Å; S259-I263 WeakPolarHBondContact O-CD1 3.39Å; S259-I263 WeakPolarHBondContact O-CG1 3.35Å; S259-I263 PolarHBondContact O-N 3.17Å; S259-I263 VanDerWaalsContact O-N 3.17Å; L261-I263 VanDerWaalsContact C-N 3.32Å
264	V	71.1	Confident	68.5	Low	18 Å²	18	60.2 Å²	60.2	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-85.5	-39.2	-177.7	-177.8	0	0	0	0	112.2	M113 L173 F186 L187 I247 L250 L261 E262	M113-V264 HydrophobicContact CE-CG2 4.05Å; L173-V264 HydrophobicContact CD2-CG2 4.1Å; F186-V264 HydrophobicContact CE2-CG1 3.96Å; L187-V264 HydrophobicContact CD2-CG1 4.34Å; I247-V264 HydrophobicContact CD1-CG1 4.21Å; I247-V264 HydrophobicContact CG1-CG1 4.14Å; L250-V264 HydrophobicContact CD1-CG2 3.42Å; L250-V264 VanDerWaalsContact CD1-CG2 3.42Å; L261-V264 PolarHBondContact O-N 3.24Å; E262-V264 PolarHBondContact O-N 3.28Å
265	L	71.2	Confident	67.6	Low	3 Å²	3	62.1 Å²	62.1	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-102	-23.9	-168.7	-63.5	-176	0	0	0	114.4	F190 L195 F200 L223 L227 L261 E262	F190-L265 HydrophobicContact CD1-CD2 3.86Å; F190-L265 HydrophobicContact CE1-CD2 3.61Å; L195-L265 HydrophobicContact CD1-CB 4.37Å; F200-L265 HydrophobicContact CD2-CB 4.01Å; F200-L265 HydrophobicContact CD2-CD1 4.31Å; F200-L265 HydrophobicContact CE2-CB 4.11Å; F200-L265 HydrophobicContact CE2-CD1 4.1Å; L223-L265 HydrophobicContact CD2-CD1 3.96Å; L227-L265 HydrophobicContact CD1-CD1 4.2Å; L227-L265 HydrophobicContact CD1-CD2 4.13Å; L261-L265 HydrophobicContact CD1-CD1 4.13Å; L261-L265 HydrophobicContact CD2-CD1 3.98Å; L261-L265 HydrophobicContact CG-CD1 3.73Å; L261-L265 HydrophobicContact CG-CG 4.28Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 PolarHBondContact O-N 3.18Å; E262-L265 PolarHBondContact O-N 2.93Å
266	C	63.4	Low	66.4	Low	21 Å²	21	61 Å²	61	14%	0.142	30%	0.303	C	S	.	.			trans	-104.5	115	176.3	-74.4	0	0	0	0	109.5	F200 E262	F200-C266 WeakPolarHBondContact CB-SG 3.4Å; F200-C266 WeakPolarHBondContact CG-SG 3.4Å; E262-C266 HydrophobicContact CG-CB 3.71Å; E262-C266 WeakPolarHBondContact O-CA 3.26Å; E262-C266 VanDerWaalsContact O-CB 3.28Å; E262-C266 WeakPolarHBondContact O-CB 3.36Å; E262-C266 PolarHBondContact O-N 2.87Å
267	R	59.3	Low	65.1	Low	79 Å²	79	65.1 Å²	65.1	30%	0.298	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-86.3	131.1	166.9	-106.9	-176.6	160.9	-178.3	-8.7	109.4
268	E	48.5	Very low	63.6	Low	130 Å²	130	64.1 Å²	64.1	61%	0.607	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-65.9	137.7	143.3	-76.9	-167.9	158.2	0	0	108	Y126 M270	Y126-E268 PolarHBondContact OH-OE2 3.29Å; Y126-E268 VanDerWaalsContact OH-OE2 3.09Å; E268-M270 PolarHBondContact O-N 3.06Å
269	P	37.7	Very low	62.2	Low	99 Å²	99	60.5 Å²	60.5	64%	0.643	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-59.8	125.7	175.9	23.7	-29.6	0	0	0	108.7	L271	P269-L271 VanDerWaalsContact C-N 3.34Å; P269-L271 PolarHBondContact O-N 2.69Å
270	M	37.7	Very low	60.9	Low	71 Å²	71	61.5 Å²	61.5	35%	0.35	32%	0.315	S	S	.	.			trans	-57.3	104.7	158.2	-66.1	-71	-173.3	0	0	105.6	L165 S174 E175 E268	L165-M270 HydrophobicContact CD1-CE 4.29Å; L165-M270 HydrophobicContact CD1-SD 4.32Å; S174-M270 WeakPolarHBondContact OG-CE 3.22Å; E175-M270 HydrophobicContact CG-CE 3.62Å; E268-M270 PolarHBondContact O-N 3.06Å
271	L	31.6	Very low	59.2	Low	212 Å²	212	66.2 Å²	66.2	100%	1.11	34%	0.34	S	S	*	.			trans	-81	0	175.7	-87.9	165.5	0	0	0	109.7	P269	P269-L271 VanDerWaalsContact C-N 3.34Å; P269-L271 PolarHBondContact O-N 2.69Å

Retrieved 271 of 271 residues in 161.3 ms (Link to these results)

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