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Lymphatic vessel endothelial hyaluronic acid receptor 1

Ligand-specific transporter trafficking between intracellular organelles (TGN) and the plasma membrane. Plays a role in autocrine regulation of cell growth mediated by growth regulators containing cell surface retention sequence binding (CRS). May act as a hyaluronan (HA) transporter, either mediating its uptake for catabolism within lymphatic endothelial cells themselves, or its transport into the lumen of afferent lymphatic vessels for subsequent re-uptake and degradation in lymph nodes. Binds to pericelluar hyaluronan matrices deposited on the surface of leukocytes and facilitates cell adhesion and migration through lymphatic endothelium.

AlphaFold DB , UniProt , Accession A0A096MN11, Species PAPAN (Papio anubis, Olive baboon), Gene LYVE1, Length 321 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	54.8	Low	70.6	Confident	178 Å²	178	108.3 Å²	108.3	88%	0.877	56%	0.563	S	S	*	*				0	-69.6	0	-64.6	-174.7	-70.1	0	0	110.1	R3 C4 F5	M1-R3 PolarHBondContact O-N 2.82Å; M1-R3 VanDerWaalsContact O-N 3.12Å; M1-C4 PolarHBondContact O-N 2.74Å; M1-F5 PolarHBondContact O-N 3.25Å
2	A	60.8	Low	71.2	Confident	74 Å²	74	103.4 Å²	103.4	61%	0.612	54%	0.541	S	S	*	.	H	α-helix	trans	-31.8	-61.5	-179.6	0	0	0	0	0	116.7	C4 F5 S6	A2-C4 VanDerWaalsContact C-N 3.26Å; A2-C4 PolarHBondContact O-N 2.62Å; A2-C4 VanDerWaalsContact O-N 3.09Å; A2-F5 WeakPolarHBondContact O-CB 3.48Å; A2-F5 PolarHBondContact O-N 2.95Å; A2-S6 PolarHBondContact O-N 2.6Å; A2-S6 PolarHBondContact O-OG 2.64Å
3	R	67.4	Low	71.5	Confident	235 Å²	235	99.4 Å²	99.4	89%	0.887	53%	0.527	S	S	*	.	H	α-helix	trans	-55.9	-30.5	-175.1	-70.3	-168.3	179.7	-167.4	0.6	115.4	M1 L7	M1-R3 PolarHBondContact O-N 2.82Å; M1-R3 VanDerWaalsContact O-N 3.12Å; R3-L7 PolarHBondContact O-N 3.25Å
4	C	63	Low	71.8	Confident	56 Å²	56	98.9 Å²	98.9	38%	0.378	52%	0.524	S	S	.	.	H	α-helix	trans	-82.5	-35.2	176.5	-64.4	0	0	0	0	112	M1 A2 L7 V8 C256	M1-C4 PolarHBondContact O-N 2.74Å; A2-C4 VanDerWaalsContact C-N 3.26Å; A2-C4 PolarHBondContact O-N 2.62Å; A2-C4 VanDerWaalsContact O-N 3.09Å; C4-L7 PolarHBondContact O-N 3.04Å; C4-V8 WeakPolarHBondContact O-CG2 3.29Å; C4-V8 PolarHBondContact O-N 3.26Å; C4-C256 WeakPolarHBondContact CB-SG 3.38Å
5	F	68.6	Low	71.5	Confident	124 Å²	124	103.9 Å²	103.9	54%	0.544	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-43.9	175	-166.9	-112.4	0	0	0	111	M1 A2 L7 V8 L9	M1-F5 PolarHBondContact O-N 3.25Å; A2-F5 WeakPolarHBondContact O-CB 3.48Å; A2-F5 PolarHBondContact O-N 2.95Å; F5-L7 VanDerWaalsContact C-N 3.33Å; F5-L7 PolarHBondContact O-N 3.26Å; F5-V8 PolarHBondContact O-N 3.17Å; F5-L9 HydrophobicContact CD1-CD1 3.71Å; F5-L9 HydrophobicContact CD1-CG 4.46Å; F5-L9 HydrophobicContact CE1-CD1 3.57Å; F5-L9 HydrophobicContact CE1-CG 4.36Å; F5-L9 HydrophobicContact CG-CD1 4.47Å; F5-L9 HydrophobicContact CZ-CD1 4.23Å; F5-L9 WeakPolarHBondContact O-CB 3.36Å; F5-L9 WeakPolarHBondContact O-CG 3.47Å; F5-L9 PolarHBondContact O-N 3.23Å
6	S	73.2	Confident	71.4	Confident	64 Å²	64	101 Å²	101	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-58.3	-41.1	171.8	-56.2	0	0	0	0	112.8	A2 L9 L10	A2-S6 PolarHBondContact O-N 2.6Å; A2-S6 PolarHBondContact O-OG 2.64Å; S6-L9 PolarHBondContact O-N 2.93Å; S6-L10 WeakPolarHBondContact O-CB 3.46Å; S6-L10 VanDerWaalsContact O-CG 3.24Å; S6-L10 WeakPolarHBondContact O-CG 3.45Å; S6-L10 PolarHBondContact O-N 3.48Å
7	L	75.7	Confident	71.1	Confident	110 Å²	110	99.9 Å²	99.9	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-67	-41.7	180	-159.1	84.4	0	0	0	112	R3 C4 F5 L10 L11	R3-L7 PolarHBondContact O-N 3.25Å; C4-L7 PolarHBondContact O-N 3.04Å; F5-L7 VanDerWaalsContact C-N 3.33Å; F5-L7 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 2.95Å; L7-L11 HydrophobicContact CG-CD1 4.48Å; L7-L11 WeakPolarHBondContact O-CG 3.35Å; L7-L11 PolarHBondContact O-N 3.44Å
8	V	79.3	Confident	70.4	Confident	48 Å²	48	104.5 Å²	104.5	29%	0.291	53%	0.53	S	S	.	.	H	α-helix	trans	-65.4	-44.9	175.9	174.4	0	0	0	0	110.7	C4 F5 L10 L11 V12	C4-V8 WeakPolarHBondContact O-CG2 3.29Å; C4-V8 PolarHBondContact O-N 3.26Å; F5-V8 PolarHBondContact O-N 3.17Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.4Å; V8-L11 PolarHBondContact O-N 2.98Å; V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.43Å; V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.26Å; V8-V12 PolarHBondContact O-N 3.19Å
9	L	77	Confident	69.7	Low	92 Å²	92	104.4 Å²	104.4	48%	0.482	53%	0.53	S	S	.	.	H	α-helix	trans	-60.2	-41	176	-74.6	173	0	0	0	112.6	F5 S6 V12 S13	F5-L9 HydrophobicContact CD1-CD1 3.71Å; F5-L9 HydrophobicContact CD1-CG 4.46Å; F5-L9 HydrophobicContact CE1-CD1 3.57Å; F5-L9 HydrophobicContact CE1-CG 4.36Å; F5-L9 HydrophobicContact CG-CD1 4.47Å; F5-L9 HydrophobicContact CZ-CD1 4.23Å; F5-L9 WeakPolarHBondContact O-CB 3.36Å; F5-L9 WeakPolarHBondContact O-CG 3.47Å; F5-L9 PolarHBondContact O-N 3.23Å; S6-L9 PolarHBondContact O-N 2.93Å; L9-V12 PolarHBondContact O-N 3.14Å; L9-S13 WeakPolarHBondContact O-CB 3.5Å; L9-S13 PolarHBondContact O-N 2.82Å; L9-S13 PolarHBondContact O-OG 3.06Å; L9-S13 VanDerWaalsContact O-OG 3.13Å
10	L	79.8	Confident	68.9	Low	101 Å²	101	106.2 Å²	106.2	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-42.4	175.8	-74.9	168.2	0	0	0	112.1	S6 L7 V8 S13 I14	S6-L10 WeakPolarHBondContact O-CB 3.46Å; S6-L10 VanDerWaalsContact O-CG 3.24Å; S6-L10 WeakPolarHBondContact O-CG 3.45Å; S6-L10 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 2.95Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.4Å; L10-S13 PolarHBondContact O-N 2.92Å; L10-S13 PolarHBondContact O-OG 3.01Å; L10-I14 WeakPolarHBondContact O-CB 3.15Å; L10-I14 WeakPolarHBondContact O-CD1 3.37Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 3.02Å
11	L	76.8	Confident	67.8	Low	109 Å²	109	106.3 Å²	106.3	57%	0.571	55%	0.546	S	S	*	.	H	α-helix	trans	-66	-40.3	176.7	-71.3	170.1	0	0	0	111.6	L7 V8 W15	L7-L11 HydrophobicContact CG-CD1 4.48Å; L7-L11 WeakPolarHBondContact O-CG 3.35Å; L7-L11 PolarHBondContact O-N 3.44Å; V8-L11 PolarHBondContact O-N 2.98Å; L11-W15 WeakPolarHBondContact O-CB 3.5Å; L11-W15 PolarHBondContact O-N 2.92Å
12	V	78.6	Confident	67.7	Low	50 Å²	50	105.1 Å²	105.1	30%	0.303	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-45.4	174.9	168.3	0	0	0	0	111.4	V8 L9 W15 T16 L245	V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.43Å; V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.26Å; V8-V12 PolarHBondContact O-N 3.19Å; L9-V12 PolarHBondContact O-N 3.14Å; V12-W15 PolarHBondContact O-N 2.95Å; V12-W15 VanDerWaalsContact O-N 3.13Å; V12-T16 PolarHBondContact O-N 2.94Å; V12-T16 PolarHBondContact O-OG1 3.23Å; V12-L245 HydrophobicContact CG1-CD2 3.5Å
13	S	74.6	Confident	67.6	Low	51 Å²	51	105.6 Å²	105.6	36%	0.357	55%	0.55	S	S	.	.	H	α-helix	trans	-71.1	-32.4	179.7	65	0	0	0	0	113.1	L9 L10 W15 T16 T17	L9-S13 WeakPolarHBondContact O-CB 3.5Å; L9-S13 PolarHBondContact O-N 2.82Å; L9-S13 PolarHBondContact O-OG 3.06Å; L9-S13 VanDerWaalsContact O-OG 3.13Å; L10-S13 PolarHBondContact O-N 2.92Å; L10-S13 PolarHBondContact O-OG 3.01Å; S13-W15 VanDerWaalsContact C-N 3.31Å; S13-T16 PolarHBondContact O-OG1 2.97Å; S13-T17 WeakPolarHBondContact O-CB 3.38Å; S13-T17 VanDerWaalsContact O-CG2 3.3Å; S13-T17 WeakPolarHBondContact O-CG2 3.41Å; S13-T17 PolarHBondContact O-N 2.89Å; S13-T17 PolarHBondContact O-OG1 2.89Å
14	I	75.3	Confident	67.7	Low	93 Å²	93	98.1 Å²	98.1	48%	0.477	53%	0.534	S	S	.	.	H	α-helix	trans	-63.8	-38.3	167.8	-70.3	164.8	0	0	0	110.5	L10 T17 R18	L10-I14 WeakPolarHBondContact O-CB 3.15Å; L10-I14 WeakPolarHBondContact O-CD1 3.37Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 3.02Å; I14-T17 WeakPolarHBondContact CA-OG1 3.33Å; I14-T17 PolarHBondContact O-OG1 3.36Å; I14-R18 HydrophobicContact CG2-CG 4.47Å; I14-R18 VanDerWaalsContact O-CB 3.3Å; I14-R18 WeakPolarHBondContact O-CB 3.45Å; I14-R18 WeakPolarHBondContact O-CG 3.38Å; I14-R18 PolarHBondContact O-N 3.34Å
15	W	68.4	Low	68.6	Low	173 Å²	173	96.2 Å²	96.2	66%	0.655	52%	0.52	S	S	*	.	H	α-helix	trans	-71.4	-43.7	179.6	-153.6	72.3	0	0	0	112.5	L11 V12 S13 R18 L19	L11-W15 WeakPolarHBondContact O-CB 3.5Å; L11-W15 PolarHBondContact O-N 2.92Å; V12-W15 PolarHBondContact O-N 2.95Å; V12-W15 VanDerWaalsContact O-N 3.13Å; S13-W15 VanDerWaalsContact C-N 3.31Å; W15-R18 PolarHBondContact O-N 3.37Å; W15-L19 WeakPolarHBondContact O-CB 3.18Å; W15-L19 PolarHBondContact O-N 3.35Å
16	T	70.1	Confident	69.3	Low	58 Å²	58	95.7 Å²	95.7	36%	0.356	52%	0.519	S	S	.	.	H	α-helix	trans	-67.7	-39.4	176.5	56.9	0	0	0	0	112.6	V12 S13 L19 L20	V12-T16 PolarHBondContact O-N 2.94Å; V12-T16 PolarHBondContact O-OG1 3.23Å; S13-T16 PolarHBondContact O-OG1 2.97Å; T16-L19 PolarHBondContact O-N 3.32Å; T16-L20 PolarHBondContact O-N 3.09Å
17	T	65.5	Low	69.8	Low	82 Å²	82	94.9 Å²	94.9	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-67.7	-34	174.1	52.2	0	0	0	0	112.5	S13 I14 V21	S13-T17 WeakPolarHBondContact O-CB 3.38Å; S13-T17 VanDerWaalsContact O-CG2 3.3Å; S13-T17 WeakPolarHBondContact O-CG2 3.41Å; S13-T17 PolarHBondContact O-N 2.89Å; S13-T17 PolarHBondContact O-OG1 2.89Å; I14-T17 WeakPolarHBondContact CA-OG1 3.33Å; I14-T17 PolarHBondContact O-OG1 3.36Å; T17-V21 WeakPolarHBondContact O-CG2 3.29Å
18	R	59.3	Low	70.3	Confident	183 Å²	183	97.5 Å²	97.5	69%	0.691	53%	0.525	S	S	*	.	H	α-helix	trans	-67.2	-38.8	170.9	-76.2	-70.6	-174.8	-158.7	-0.3	112.8	I14 W15 L20 V21	I14-R18 HydrophobicContact CG2-CG 4.47Å; I14-R18 VanDerWaalsContact O-CB 3.3Å; I14-R18 WeakPolarHBondContact O-CB 3.45Å; I14-R18 WeakPolarHBondContact O-CG 3.38Å; I14-R18 PolarHBondContact O-N 3.34Å; W15-R18 PolarHBondContact O-N 3.37Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.04Å; R18-V21 PolarHBondContact O-N 2.89Å; R18-V21 VanDerWaalsContact O-N 3.11Å
19	L	56.2	Low	70.7	Confident	102 Å²	102	99.6 Å²	99.6	53%	0.534	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-31.1	179.6	-163.4	69.1	0	0	0	112.4	W15 T16 V21	W15-L19 WeakPolarHBondContact O-CB 3.18Å; W15-L19 PolarHBondContact O-N 3.35Å; T16-L19 PolarHBondContact O-N 3.32Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.87Å
20	L	53.1	Low	71.4	Confident	141 Å²	141	95.7 Å²	95.7	74%	0.738	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-5.2	174.2	-73.2	165.3	0	0	0	114.4	T16 R18	T16-L20 PolarHBondContact O-N 3.09Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.04Å
21	V	47.7	Very low	71.9	Confident	109 Å²	109	93 Å²	93	66%	0.661	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	31.3	-179.8	-179	0	0	0	0	111.5	T17 R18 L19	T17-V21 WeakPolarHBondContact O-CG2 3.29Å; R18-V21 PolarHBondContact O-N 2.89Å; R18-V21 VanDerWaalsContact O-N 3.11Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.87Å
22	Q	52	Low	72.5	Confident	153 Å²	153	91.2 Å²	91.2	72%	0.715	49%	0.492	S	S	*	.	S	Bend	trans	-92.9	117.7	152.5	-65.1	-173.6	-85.2	0	0	107.1	S24	Q22-S24 PolarHBondContact O-N 3.39Å
23	G	58.7	Low	72.4	Confident	83 Å²	83	93.7 Å²	93.7	86%	0.856	50%	0.5	S	S	*	.			trans	-50.9	102.2	-161	0	0	0	0	0	114.6	L25	G23-L25 PolarHBondContact O-N 2.98Å
24	S	69.1	Low	72.3	Confident	79 Å²	79	94.7 Å²	94.7	55%	0.552	50%	0.504	S	S	*	.			trans	-73.7	114.6	172.6	-174.6	0	0	0	0	109	Q22 H26	Q22-S24 PolarHBondContact O-N 3.39Å; S24-H26 PolarHBondContact O-CE1 3.48Å; S24-H26 PolarHBondContact O-N 2.92Å; S24-H26 PolarHBondContact O-ND1 2.86Å
25	L	81.1	Confident	72.2	Confident	15 Å²	15	95.9 Å²	95.9	8%	0.079	52%	0.52	C	S	.	.			trans	-60.4	126	167.6	-170.6	72.2	0	0	0	108.8	G23 L30 K46 L52 E56 E59 A60 L63	G23-L25 PolarHBondContact O-N 2.98Å; L25-L30 HydrophobicContact CD1-CD2 4.15Å; L25-L30 HydrophobicContact CD2-CD2 4.11Å; L25-L30 HydrophobicContact CG-CD2 4.21Å; L25-K46 HydrophobicContact CD1-CD 4.06Å; L25-K46 HydrophobicContact CD1-CG 4.21Å; L25-L52 HydrophobicContact CD1-CD2 4.16Å; L25-L52 HydrophobicContact CD2-CD2 4.19Å; L25-E56 HydrophobicContact CD2-CB 4.41Å; L25-E56 WeakPolarHBondContact CD2-O 3.34Å; L25-E59 HydrophobicContact CD2-CB 4.37Å; L25-E59 HydrophobicContact CD2-CG 4.48Å; L25-A60 HydrophobicContact CD2-CB 3.9Å; L25-L63 HydrophobicContact CB-CD1 4.31Å; L25-L63 HydrophobicContact CD2-CD1 4.26Å; L25-L63 HydrophobicContact CG-CD1 4.26Å; L25-L63 VanDerWaalsContact O-CD1 3.26Å; L25-L63 WeakPolarHBondContact O-CD1 3.5Å
26	H	84.7	Confident	72.9	Confident	113 Å²	113	88.9 Å²	88.9	52%	0.523	50%	0.497	S	S	.	.			trans	-103.3	145.5	176.7	-73.8	68.5	0	0	0	110.9	S24 E28 E29	S24-H26 PolarHBondContact O-CE1 3.48Å; S24-H26 PolarHBondContact O-N 2.92Å; S24-H26 PolarHBondContact O-ND1 2.86Å; H26-E28 PolarHBondContact O-N 3.47Å; H26-E29 HydrophobicContact CB-CG 4.1Å; H26-E29 PolarHBondContact N-OE2 3.3Å; H26-E29 WeakPolarHBondContact O-CB 3.43Å; H26-E29 PolarHBondContact O-N 3.31Å
27	A	83.8	Confident	74	Confident	48 Å²	48	89.6 Å²	89.6	40%	0.397	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-58.7	-32.2	179.2	0	0	0	0	0	112.6	E29 L30 L63	A27-E29 VanDerWaalsContact C-N 3.27Å; A27-E29 PolarHBondContact O-N 3.4Å; A27-L30 WeakPolarHBondContact O-CB 3.33Å; A27-L30 PolarHBondContact O-N 2.92Å; A27-L63 HydrophobicContact CB-CB 4.28Å
28	E	86.1	Confident	75.3	Confident	164 Å²	164	86.4 Å²	86.4	77%	0.766	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-67.5	-23.6	174.9	-173.6	172.9	-177.3	0	0	113.3	H26 L30 K47	H26-E28 PolarHBondContact O-N 3.47Å; E28-L30 PolarHBondContact O-N 3.18Å; E28-K47 WeakPolarHBondContact O-CD 3.31Å; E28-K47 WeakPolarHBondContact O-CE 3.31Å; E28-K47 PolarHBondContact O-NZ 2.89Å
29	E	86.9	Confident	77	Confident	92 Å²	92	81 Å²	81	43%	0.43	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-77.7	-9.7	175.8	-60.6	177.2	122.2	0	0	112.6	H26 A27 K46 K47	H26-E29 HydrophobicContact CB-CG 4.1Å; H26-E29 PolarHBondContact N-OE2 3.3Å; H26-E29 WeakPolarHBondContact O-CB 3.43Å; H26-E29 PolarHBondContact O-N 3.31Å; A27-E29 VanDerWaalsContact C-N 3.27Å; A27-E29 PolarHBondContact O-N 3.4Å; E29-K46 CarbonylContact O-C 3.54Å; E29-K46 VanDerWaalsContact O-CA 3.3Å; E29-K46 WeakPolarHBondContact O-CA 3.3Å; E29-K47 PolarHBondContact O-N 3.12Å
30	L	91.5	Very high	78.8	Confident	11 Å²	11	76.2 Å²	76.2	6%	0.058	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	145.2	-175.2	-60.6	175.9	0	0	0	112.6	L25 A27 E28 V44 S45 K47 A60 L63 L64	L25-L30 HydrophobicContact CD1-CD2 4.15Å; L25-L30 HydrophobicContact CD2-CD2 4.11Å; L25-L30 HydrophobicContact CG-CD2 4.21Å; A27-L30 WeakPolarHBondContact O-CB 3.33Å; A27-L30 PolarHBondContact O-N 2.92Å; E28-L30 PolarHBondContact O-N 3.18Å; L30-V44 HydrophobicContact CB-CG1 4.39Å; L30-V44 HydrophobicContact CD2-CG1 4.27Å; L30-S45 CarbonylContact C-O 3.59Å; L30-S45 WeakPolarHBondContact CA-O 3.24Å; L30-K47 WeakPolarHBondContact O-CE 3.24Å; L30-A60 HydrophobicContact CD1-CB 4.01Å; L30-A60 WeakPolarHBondContact CD1-O 3.46Å; L30-A60 HydrophobicContact CD2-CB 3.76Å; L30-L63 HydrophobicContact CD1-CB 4.25Å; L30-L64 HydrophobicContact CB-CD1 4.46Å; L30-L64 HydrophobicContact CD1-CD1 4.03Å; L30-L64 HydrophobicContact CD1-CD2 4.2Å; L30-L64 HydrophobicContact CD1-CG 3.85Å
31	S	90.4	Very high	80.9	Confident	44 Å²	44	69.5 Å²	69.5	31%	0.308	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.1	172.6	-163.9	0	0	0	0	109.5	V44 S45	S31-V44 WeakPolarHBondContact O-CA 3.35Å; S31-S45 PolarHBondContact N-O 3.06Å; S31-S45 PolarHBondContact O-N 2.97Å
32	I	89.5	Confident	83.2	Confident	72 Å²	72	64.5 Å²	64.5	37%	0.369	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	115	166.3	-73.3	169.1	0	0	0	106.1	V34 T42 V44 L64	I32-V34 WeakPolarHBondContact CG2-O 3.33Å; I32-V34 PolarHBondContact O-N 3.42Å; I32-T42 WeakPolarHBondContact CG2-OG1 3.37Å; I32-V44 HydrophobicContact CG1-CG2 4.16Å; I32-L64 HydrophobicContact CG1-CD1 4.38Å
33	Q	75.8	Confident	85.2	Confident	101 Å²	101	57.4 Å²	57.4	47%	0.472	33%	0.333	S	S	.	.	S	Bend	trans	-68.2	-23.7	-172.2	-172.6	173.4	-2.8	0	0	112.6	L43 S86	Q33-L43 HydrophobicContact CB-CD2 4.28Å; Q33-L43 PolarHBondContact N-O 3.09Å; Q33-S86 PolarHBondContact NE2-OG 2.71Å; Q33-S86 PolarHBondContact OE1-OG 3.02Å
34	V	73.7	Confident	87	Confident	72 Å²	72	53.4 Å²	53.4	44%	0.436	29%	0.293	S	S	.	.	S	Bend	trans	-138.7	115.5	175.6	179.1	0	0	0	0	108	I32 C36 T42	I32-V34 WeakPolarHBondContact CG2-O 3.33Å; I32-V34 PolarHBondContact O-N 3.42Å; V34-C36 PolarHBondContact O-N 3.32Å; V34-C36 VanDerWaalsContact O-O 3.11Å; V34-T42 PolarHBondContact O-OG1 3.25Å
35	S	72.7	Confident	88.2	Confident	119 Å²	119	50 Å²	50	83%	0.832	27%	0.269	S	S	*	.	S	Bend	trans	-63	-13.1	-169.9	-48.9	0	0	0	0	115.5
36	C	84	Confident	88.8	Confident	25 Å²	25	50.8 Å²	50.8	17%	0.169	27%	0.271	C	S	.	.	S	Bend	trans	-104.7	158.8	175.9	47.3	0	0	0	0	112.6	V34 S138 C139	V34-C36 PolarHBondContact O-N 3.32Å; V34-C36 VanDerWaalsContact O-O 3.11Å; C36-S138 VanDerWaalsContact CB-C 3.44Å; C36-C139 VanDerWaalsContact CB-CA 3.46Å; C36-C139 HydrophobicContact CB-CB 3.7Å; C36-C139 WeakPolarHBondContact CB-SG 3.24Å; C36-C139 VanDerWaalsContact SG-CA 3.57Å; C36-C139 WeakPolarHBondContact SG-CB 3.12Å; C36-C139 CovalentContact SG-SG 2.03Å; C36-C139 PolarHBondContact SG-SG 3.12Å
37	R	91.9	Very high	89	Confident	74 Å²	74	51.6 Å²	51.6	28%	0.279	27%	0.273	S	S	.	.			trans	-109	152.1	175.5	-73	170.4	-51.1	-94.7	-0.5	110.4	I41 T42 D133 N137 S138	R37-I41 WeakPolarHBondContact CA-O 3.28Å; R37-T42 HydrophobicContact CG-CG2 4.31Å; R37-D133 VanDerWaalsContact CB-OD2 3.22Å; R37-D133 WeakPolarHBondContact CB-OD2 3.22Å; R37-D133 WeakPolarHBondContact CD-OD2 3.45Å; R37-D133 IonicContact CZ-OD1 2.76Å; R37-D133 IonicContact CZ-OD2 3.43Å; R37-D133 VanDerWaalsContact NE-CG 3.27Å; R37-D133 IonicContact NE-OD1 2.69Å; R37-D133 PolarHBondContact NE-OD1 2.81Å; R37-D133 IonicContact NE-OD2 3.93Å; R37-D133 PolarHBondContact NE-OD2 2.88Å; R37-D133 IonicContact NH2-OD1 3.36Å; R37-D133 PolarHBondContact NH2-OD1 2.73Å; R37-D133 IonicContact NH2-OD2 3.12Å; R37-N137 CarbonylContact O-C 3.56Å; R37-S138 PolarHBondContact O-N 2.8Å; R37-S138 PolarHBondContact O-OG 2.94Å
38	I	93.6	Very high	89.1	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.077	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-125.7	122.7	168.1	-63.5	-177	0	0	0	107.1	G40 I41 A77 A80 F82 T136 N137	I38-G40 PolarHBondContact O-N 2.92Å; I38-I41 PolarHBondContact N-O 3.05Å; I38-I41 VanDerWaalsContact N-O 3.11Å; I38-I41 WeakPolarHBondContact O-CB 3.45Å; I38-I41 PolarHBondContact O-N 3.45Å; I38-A77 HydrophobicContact CG2-CB 4.35Å; I38-A77 WeakPolarHBondContact O-CB 3.3Å; I38-A80 HydrophobicContact CG2-CB 3.64Å; I38-A80 WeakPolarHBondContact CG2-O 3.48Å; I38-F82 HydrophobicContact CB-CB 4.06Å; I38-F82 HydrophobicContact CB-CD2 4.26Å; I38-F82 HydrophobicContact CB-CG 4.46Å; I38-F82 HydrophobicContact CD1-CB 4.11Å; I38-F82 HydrophobicContact CD1-CD2 4.27Å; I38-F82 HydrophobicContact CG1-CD2 4.47Å; I38-F82 HydrophobicContact CG2-CB 4.04Å; I38-T136 CarbonylContact C-O 3.48Å; I38-T136 WeakPolarHBondContact CA-O 3.32Å; I38-N137 HydrophobicContact CG1-CB 4.25Å
39	M	94.9	Very high	89.2	Confident	69 Å²	69	50 Å²	50	34%	0.34	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	44.7	-171.6	-60.1	-65	-168.1	0	0	112.7	I41 T76 A77 A80 Y129 T136	M39-I41 PolarHBondContact O-N 3Å; M39-I41 VanDerWaalsContact O-N 3.15Å; M39-T76 HydrophobicContact CB-CG2 4.38Å; M39-T76 HydrophobicContact CG-CG2 4.18Å; M39-A77 HydrophobicContact CB-CB 4.22Å; M39-A80 HydrophobicContact CE-CB 3.78Å; M39-A80 HydrophobicContact CG-CB 3.75Å; M39-Y129 WeakPolarHBondContact O-CE2 3.36Å; M39-T136 HydrophobicContact CE-CG2 3.88Å; M39-T136 PolarHBondContact N-O 2.92Å; M39-T136 HydrophobicContact SD-CG2 4.43Å
40	G	94.6	Very high	89.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	-8	-176.7	0	0	0	0	0	116.2	I38 Y129 N130 D133	I38-G40 PolarHBondContact O-N 2.92Å; G40-Y129 WeakPolarHBondContact O-CA 3.41Å; G40-N130 PolarHBondContact O-N 3.16Å; G40-D133 WeakPolarHBondContact CA-OD2 3.37Å
41	I	96.2	Very high	89.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.3	-179.5	-61.7	-66.8	0	0	0	111.5	R37 I38 M39 A69 Q73 V74 A77 F82 Y127 C128 Y129	R37-I41 WeakPolarHBondContact CA-O 3.28Å; I38-I41 PolarHBondContact N-O 3.05Å; I38-I41 VanDerWaalsContact N-O 3.11Å; I38-I41 WeakPolarHBondContact O-CB 3.45Å; I38-I41 PolarHBondContact O-N 3.45Å; M39-I41 PolarHBondContact O-N 3Å; M39-I41 VanDerWaalsContact O-N 3.15Å; I41-A69 HydrophobicContact CD1-CB 3.36Å; I41-Q73 HydrophobicContact CD1-CB 3.96Å; I41-V74 HydrophobicContact CD1-CG2 4.18Å; I41-A77 HydrophobicContact CB-CB 3.93Å; I41-A77 HydrophobicContact CG1-CB 3.7Å; I41-F82 HydrophobicContact CB-CE1 4.49Å; I41-F82 HydrophobicContact CG2-CD1 4.17Å; I41-F82 HydrophobicContact CG2-CE1 3.47Å; I41-F82 VanDerWaalsContact CG2-CE1 3.47Å; I41-F82 HydrophobicContact CG2-CE2 4.35Å; I41-F82 HydrophobicContact CG2-CZ 3.59Å; I41-Y127 HydrophobicContact CG2-CD1 4.03Å; I41-C128 WeakPolarHBondContact CA-O 3.47Å; I41-Y129 HydrophobicContact CD1-CD2 3.98Å; I41-Y129 HydrophobicContact CD1-CG 4.44Å
42	T	95.1	Very high	89.4	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	171.7	161.8	-169.7	0	0	0	0	111.2	I32 V34 R37 V44 L66 C128	I32-T42 WeakPolarHBondContact CG2-OG1 3.37Å; V34-T42 PolarHBondContact O-OG1 3.25Å; R37-T42 HydrophobicContact CG-CG2 4.31Å; T42-V44 HydrophobicContact CG2-CG2 4.25Å; T42-L66 HydrophobicContact CG2-CD1 3.97Å; T42-C128 HydrophobicContact CG2-CB 4.39Å; T42-C128 PolarHBondContact N-O 2.93Å; T42-C128 PolarHBondContact O-N 2.73Å
43	L	95.4	Very high	89.7	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.8	-178.6	-171.5	73.1	0	0	0	110.3	Q33 T84 A125 A126 Y127	Q33-L43 HydrophobicContact CB-CD2 4.28Å; Q33-L43 PolarHBondContact N-O 3.09Å; L43-T84 HydrophobicContact CD2-CG2 4.2Å; L43-A125 HydrophobicContact CD1-CB 3.57Å; L43-A125 HydrophobicContact CD2-CB 4.25Å; L43-A125 HydrophobicContact CG-CB 3.88Å; L43-A126 WeakPolarHBondContact CA-O 3.41Å; L43-Y127 HydrophobicContact CD1-CD1 3.8Å; L43-Y127 HydrophobicContact CD1-CD2 4.33Å; L43-Y127 HydrophobicContact CD1-CE1 3.67Å; L43-Y127 HydrophobicContact CD1-CE2 4.21Å; L43-Y127 HydrophobicContact CD1-CG 4.14Å
44	V	95.6	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.3	-174.9	179	0	0	0	0	110.9	L30 S31 I32 T42 A60 L64 A125 A126 C128	L30-V44 HydrophobicContact CB-CG1 4.39Å; L30-V44 HydrophobicContact CD2-CG1 4.27Å; S31-V44 WeakPolarHBondContact O-CA 3.35Å; I32-V44 HydrophobicContact CG1-CG2 4.16Å; T42-V44 HydrophobicContact CG2-CG2 4.25Å; V44-A60 HydrophobicContact CG1-CB 4.09Å; V44-L64 HydrophobicContact CB-CD1 4.42Å; V44-L64 HydrophobicContact CG1-CD1 3.73Å; V44-L64 HydrophobicContact CG2-CD1 3.74Å; V44-A125 CarbonylContact O-C 3.33Å; V44-A125 WeakPolarHBondContact O-CA 3.47Å; V44-A126 HydrophobicContact CB-CB 4.44Å; V44-A126 PolarHBondContact N-O 2.85Å; V44-A126 PolarHBondContact O-N 3.19Å; V44-C128 HydrophobicContact CG2-CB 4.08Å; V44-C128 WeakPolarHBondContact CG2-SG 3.43Å
45	S	94.6	Very high	91.8	Very high	7 Å²	7	48.1 Å²	48.1	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	177.8	176.5	70.1	0	0	0	0	110.4	L30 S31 P50	L30-S45 CarbonylContact C-O 3.59Å; L30-S45 WeakPolarHBondContact CA-O 3.24Å; S31-S45 PolarHBondContact N-O 3.06Å; S31-S45 PolarHBondContact O-N 2.97Å; S45-P50 WeakPolarHBondContact CB-O 3.24Å
46	K	93.2	Very high	92.9	Very high	31 Å²	31	44.7 Å²	44.7	14%	0.135	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.8	167.4	-33.7	-179	173	95	0	110.3	L25 E29 A48 N49 P50 Q51 L52 E56	L25-K46 HydrophobicContact CD1-CD 4.06Å; L25-K46 HydrophobicContact CD1-CG 4.21Å; E29-K46 CarbonylContact O-C 3.54Å; E29-K46 VanDerWaalsContact O-CA 3.3Å; E29-K46 WeakPolarHBondContact O-CA 3.3Å; K46-A48 PolarHBondContact O-N 3.29Å; K46-N49 WeakPolarHBondContact CB-O 3.32Å; K46-N49 CarbonylContact O-C 3.58Å; K46-P50 WeakPolarHBondContact O-CA 3.45Å; K46-Q51 PolarHBondContact NZ-O 3.2Å; K46-L52 HydrophobicContact CD-CD2 4.28Å; K46-L52 HydrophobicContact CG-CD2 3.61Å; K46-L52 HydrophobicContact CG-CG 4.23Å; K46-E56 WeakPolarHBondContact CE-OE1 3.44Å; K46-E56 IonicContact NZ-OE1 2.92Å; K46-E56 PolarHBondContact NZ-OE1 3.49Å; K46-E56 IonicContact NZ-OE2 3.63Å; K46-E56 PolarHBondContact NZ-OE2 2.92Å
47	K	89.9	Confident	93.5	Very high	131 Å²	131	43.5 Å²	43.5	57%	0.57	24%	0.236	S	C	*	.	S	Bend	trans	-58.7	-45.5	176.5	-70	175.7	179.8	169.7	0	112.7	E28 E29 L30	E28-K47 WeakPolarHBondContact O-CD 3.31Å; E28-K47 WeakPolarHBondContact O-CE 3.31Å; E28-K47 PolarHBondContact O-NZ 2.89Å; E29-K47 PolarHBondContact O-N 3.12Å; L30-K47 WeakPolarHBondContact O-CE 3.24Å
48	A	86.4	Confident	93.7	Very high	108 Å²	108	46.6 Å²	46.6	89%	0.893	25%	0.251	S	S	*	.	S	Bend	trans	-84.8	-28.2	-174	0	0	0	0	0	114.2	K46	K46-A48 PolarHBondContact O-N 3.29Å
49	N	87.3	Confident	93.8	Very high	71 Å²	71	48.9 Å²	48.9	38%	0.38	26%	0.262	S	S	.	.	S	Bend	trans	-144.6	113.8	173.3	174.1	-0.4	0	0	0	107.4	K46 Q51	K46-N49 WeakPolarHBondContact CB-O 3.32Å; K46-N49 CarbonylContact O-C 3.58Å; N49-Q51 PolarHBondContact O-N 2.94Å; N49-Q51 PolarHBondContact OD1-N 3.25Å
50	P	85.8	Confident	93.9	Very high	80 Å²	80	45.6 Å²	45.6	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	-74.4	30.9	-170.1	32	-37.5	0	0	0	114.3	S45 K46	S45-P50 WeakPolarHBondContact CB-O 3.24Å; K46-P50 WeakPolarHBondContact O-CA 3.45Å
51	Q	91.6	Very high	94	Very high	89 Å²	89	45.6 Å²	45.6	42%	0.416	25%	0.245	S	C	.	.			trans	-133.4	139.9	-177.3	-49.1	-172.6	1.3	0	0	112.3	K46 N49 Q123 F124	K46-Q51 PolarHBondContact NZ-O 3.2Å; N49-Q51 PolarHBondContact O-N 2.94Å; N49-Q51 PolarHBondContact OD1-N 3.25Å; Q51-Q123 HydrophobicContact CB-CB 3.54Å; Q51-Q123 PolarHBondContact OE1-O 3.11Å; Q51-F124 CarbonylContact C-O 3.58Å
52	L	95.1	Very high	94	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-130.6	136	-175.7	-65	158.1	0	0	0	108.1	L25 K46 E56 A57 A60 W89 Q123 F124 A126	L25-L52 HydrophobicContact CD1-CD2 4.16Å; L25-L52 HydrophobicContact CD2-CD2 4.19Å; K46-L52 HydrophobicContact CD-CD2 4.28Å; K46-L52 HydrophobicContact CG-CD2 3.61Å; K46-L52 HydrophobicContact CG-CG 4.23Å; L52-E56 WeakPolarHBondContact CA-OE2 3.15Å; L52-E56 HydrophobicContact CB-CB 4.07Å; L52-E56 HydrophobicContact CD2-CB 3.74Å; L52-A57 HydrophobicContact CB-CB 4.09Å; L52-A60 HydrophobicContact CD1-CB 3.9Å; L52-A60 HydrophobicContact CD2-CB 4.28Å; L52-W89 PolarHBondContact O-NE1 3.02Å; L52-Q123 CarbonylContact O-C 3.25Å; L52-Q123 VanDerWaalsContact O-CA 3.3Å; L52-Q123 WeakPolarHBondContact O-CA 3.37Å; L52-F124 WeakPolarHBondContact CA-O 3.48Å; L52-F124 WeakPolarHBondContact CB-O 3.46Å; L52-F124 PolarHBondContact N-O 3.46Å; L52-F124 PolarHBondContact O-N 2.9Å; L52-F124 VanDerWaalsContact O-O 3.12Å; L52-A126 HydrophobicContact CD1-CB 3.97Å
53	N	96.1	Very high	94	Very high	39 Å²	39	54.9 Å²	54.9	21%	0.209	28%	0.283	C	S	.	.			trans	-72.9	169.5	163.5	74.2	61.6	0	0	0	111.1	T55 E56 A57 R122	N53-T55 VanDerWaalsContact C-N 3.3Å; N53-T55 PolarHBondContact O-N 2.94Å; N53-T55 WeakPolarHBondContact OD1-CB 3.48Å; N53-T55 PolarHBondContact OD1-N 2.91Å; N53-E56 PolarHBondContact N-OE2 2.83Å; N53-E56 VanDerWaalsContact ND2-CG 3.31Å; N53-E56 WeakPolarHBondContact ND2-CG 3.38Å; N53-E56 PolarHBondContact ND2-OE2 2.73Å; N53-E56 VanDerWaalsContact ND2-OE2 3.09Å; N53-E56 CarbonylContact O-C 3.59Å; N53-E56 PolarHBondContact O-N 3.37Å; N53-E56 PolarHBondContact OD1-N 3.37Å; N53-A57 VanDerWaalsContact O-CB 3.31Å; N53-A57 WeakPolarHBondContact O-CB 3.16Å; N53-A57 PolarHBondContact O-N 2.95Å; N53-R122 VanDerWaalsContact CA-O 3.3Å; N53-R122 WeakPolarHBondContact CA-O 3.39Å
54	F	97.1	Very high	94	Very high	41 Å²	41	57.6 Å²	57.6	18%	0.18	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-38.7	-173.7	177.9	-116.4	0	0	0	113.5	A57 K58 L68 W89 I90 V120	F54-A57 PolarHBondContact O-N 3.47Å; F54-K58 PolarHBondContact O-N 3.27Å; F54-L68 HydrophobicContact CD2-CD1 4.42Å; F54-L68 HydrophobicContact CE2-CD1 3.82Å; F54-L68 HydrophobicContact CZ-CD1 4.49Å; F54-W89 HydrophobicContact CB-CD2 3.98Å; F54-W89 HydrophobicContact CB-CE3 3.96Å; F54-W89 HydrophobicContact CB-CH2 4.06Å; F54-W89 HydrophobicContact CB-CZ2 4.04Å; F54-W89 HydrophobicContact CB-CZ3 4.01Å; F54-W89 HydrophobicContact CD2-CB 4.38Å; F54-W89 AromaticContact CD2-CD2 3.95Å; F54-W89 HydrophobicContact CD2-CD2 3.95Å; F54-W89 AromaticContact CD2-CE3 3.63Å; F54-W89 HydrophobicContact CD2-CE3 3.63Å; F54-W89 HydrophobicContact CD2-CG 4.3Å; F54-W89 HydrophobicContact CD2-CZ3 4.25Å; F54-W89 HydrophobicContact CG-CD2 4.45Å; F54-W89 HydrophobicContact CG-CE3 4.16Å; F54-W89 HydrophobicContact CG-CZ3 4.39Å; F54-I90 WeakPolarHBondContact CE2-O 3.43Å; F54-V120 HydrophobicContact CB-CB 3.98Å; F54-V120 HydrophobicContact CB-CG1 4.25Å; F54-V120 HydrophobicContact CD1-CG1 4.16Å; F54-V120 HydrophobicContact CG-CG1 4.42Å; F54-V120 PolarHBondContact N-O 3.05Å; F54-V120 VanDerWaalsContact N-O 3.09Å
55	T	96.1	Very high	93.9	Very high	102 Å²	102	60.9 Å²	60.9	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-68.6	-45.1	177.3	-52.2	0	0	0	0	111	N53 A57 K58 E59	N53-T55 VanDerWaalsContact C-N 3.3Å; N53-T55 PolarHBondContact O-N 2.94Å; N53-T55 WeakPolarHBondContact OD1-CB 3.48Å; N53-T55 PolarHBondContact OD1-N 2.91Å; T55-A57 VanDerWaalsContact C-N 3.3Å; T55-A57 PolarHBondContact O-N 3.41Å; T55-K58 PolarHBondContact O-N 2.93Å; T55-E59 WeakPolarHBondContact O-CB 3.37Å; T55-E59 PolarHBondContact O-N 3.45Å
56	E	95.8	Very high	94	Very high	48 Å²	48	61.7 Å²	61.7	22%	0.224	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-36.6	173.4	-69.8	175.7	134.4	0	0	112.1	L25 K46 L52 N53 E59 A60	L25-E56 HydrophobicContact CD2-CB 4.41Å; L25-E56 WeakPolarHBondContact CD2-O 3.34Å; K46-E56 WeakPolarHBondContact CE-OE1 3.44Å; K46-E56 IonicContact NZ-OE1 2.92Å; K46-E56 PolarHBondContact NZ-OE1 3.49Å; K46-E56 IonicContact NZ-OE2 3.63Å; K46-E56 PolarHBondContact NZ-OE2 2.92Å; L52-E56 WeakPolarHBondContact CA-OE2 3.15Å; L52-E56 HydrophobicContact CB-CB 4.07Å; L52-E56 HydrophobicContact CD2-CB 3.74Å; N53-E56 PolarHBondContact N-OE2 2.83Å; N53-E56 VanDerWaalsContact ND2-CG 3.31Å; N53-E56 WeakPolarHBondContact ND2-CG 3.38Å; N53-E56 PolarHBondContact ND2-OE2 2.73Å; N53-E56 VanDerWaalsContact ND2-OE2 3.09Å; N53-E56 CarbonylContact O-C 3.59Å; N53-E56 PolarHBondContact O-N 3.37Å; N53-E56 PolarHBondContact OD1-N 3.37Å; E56-E59 PolarHBondContact O-N 3.35Å; E56-A60 WeakPolarHBondContact O-CB 3.32Å; E56-A60 PolarHBondContact O-N 3.39Å
57	A	97	Very high	94.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-68	-40.9	179.2	0	0	0	0	0	111.9	L52 N53 F54 T55 E59 A60 C61 L68 W89 A126	L52-A57 HydrophobicContact CB-CB 4.09Å; N53-A57 VanDerWaalsContact O-CB 3.31Å; N53-A57 WeakPolarHBondContact O-CB 3.16Å; N53-A57 PolarHBondContact O-N 2.95Å; F54-A57 PolarHBondContact O-N 3.47Å; T55-A57 VanDerWaalsContact C-N 3.3Å; T55-A57 PolarHBondContact O-N 3.41Å; A57-E59 VanDerWaalsContact C-N 3.35Å; A57-A60 PolarHBondContact O-N 2.9Å; A57-C61 PolarHBondContact O-N 2.94Å; A57-C61 PolarHBondContact O-SG 3.35Å; A57-L68 HydrophobicContact CB-CD2 4.43Å; A57-W89 HydrophobicContact CB-CB 3.9Å; A57-W89 HydrophobicContact CB-CG 3.9Å; A57-A126 HydrophobicContact CB-CB 3.7Å
58	K	96.9	Very high	94.6	Very high	138 Å²	138	58.8 Å²	58.8	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-62	-43.9	172.8	-172.3	172	-179.2	174.3	0	111.6	F54 T55 R62 L68	F54-K58 PolarHBondContact O-N 3.27Å; T55-K58 PolarHBondContact O-N 2.93Å; K58-R62 WeakPolarHBondContact O-CB 3.3Å; K58-R62 PolarHBondContact O-N 3.42Å; K58-L68 HydrophobicContact CB-CD1 3.67Å; K58-L68 HydrophobicContact CB-CG 4.46Å; K58-L68 HydrophobicContact CG-CD1 4.11Å
59	E	96.1	Very high	95.1	Very high	64 Å²	64	53.6 Å²	53.6	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-70.7	-36.1	178.5	-171.6	60.9	-172.6	0	0	112.3	L25 T55 E56 A57 C61 R62 L63	L25-E59 HydrophobicContact CD2-CB 4.37Å; L25-E59 HydrophobicContact CD2-CG 4.48Å; T55-E59 WeakPolarHBondContact O-CB 3.37Å; T55-E59 PolarHBondContact O-N 3.45Å; E56-E59 PolarHBondContact O-N 3.35Å; A57-E59 VanDerWaalsContact C-N 3.35Å; E59-C61 PolarHBondContact O-N 2.89Å; E59-R62 PolarHBondContact O-N 2.99Å; E59-R62 IonicContact OE1-CZ 3.7Å; E59-R62 IonicContact OE1-NE 2.79Å; E59-R62 PolarHBondContact OE1-NE 2.84Å; E59-R62 IonicContact OE1-NH2 3.75Å; E59-R62 PolarHBondContact OE1-NH2 3.35Å; E59-R62 IonicContact OE2-CZ 3.63Å; E59-R62 IonicContact OE2-NE 2.71Å; E59-R62 PolarHBondContact OE2-NE 3.4Å; E59-R62 IonicContact OE2-NH2 3.65Å; E59-L63 HydrophobicContact CG-CD1 3.92Å; E59-L63 HydrophobicContact CG-CG 4.2Å; E59-L63 WeakPolarHBondContact O-CB 3.34Å; E59-L63 VanDerWaalsContact O-CG 3.28Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 3.44Å
60	A	95.9	Very high	95.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-47.9	176.4	0	0	0	0	0	112.1	L25 L30 V44 L52 E56 A57 L64	L25-A60 HydrophobicContact CD2-CB 3.9Å; L30-A60 HydrophobicContact CD1-CB 4.01Å; L30-A60 WeakPolarHBondContact CD1-O 3.46Å; L30-A60 HydrophobicContact CD2-CB 3.76Å; V44-A60 HydrophobicContact CG1-CB 4.09Å; L52-A60 HydrophobicContact CD1-CB 3.9Å; L52-A60 HydrophobicContact CD2-CB 4.28Å; E56-A60 WeakPolarHBondContact O-CB 3.32Å; E56-A60 PolarHBondContact O-N 3.39Å; A57-A60 PolarHBondContact O-N 2.9Å; A60-L64 WeakPolarHBondContact O-CG 3.3Å; A60-L64 PolarHBondContact O-N 3.46Å
61	C	96.7	Very high	96.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-47.6	174	-57.7	0	0	0	0	110.6	A57 E59 L63 L64 G65 L66 C128	A57-C61 PolarHBondContact O-N 2.94Å; A57-C61 PolarHBondContact O-SG 3.35Å; E59-C61 PolarHBondContact O-N 2.89Å; C61-L63 VanDerWaalsContact C-N 3.34Å; C61-L63 PolarHBondContact O-N 3.26Å; C61-L64 CarbonylContact O-C 3.58Å; C61-L64 PolarHBondContact O-N 2.89Å; C61-G65 PolarHBondContact O-N 2.92Å; C61-L66 CarbonylContact C-O 3.5Å; C61-L66 HydrophobicContact CB-CB 4.1Å; C61-L66 CarbonylContact O-C 3.56Å; C61-L66 WeakPolarHBondContact O-CA 3.46Å; C61-L66 WeakPolarHBondContact O-CB 3.26Å; C61-L66 PolarHBondContact O-N 3.19Å; C61-L66 VanDerWaalsContact O-O 3.08Å; C61-C128 WeakPolarHBondContact CA-SG 3.36Å; C61-C128 HydrophobicContact CB-CB 3.8Å; C61-C128 WeakPolarHBondContact CB-SG 3.49Å; C61-C128 VanDerWaalsContact SG-CA 3.52Å; C61-C128 WeakPolarHBondContact SG-CB 3.48Å; C61-C128 CovalentContact SG-SG 2.04Å; C61-C128 PolarHBondContact SG-SG 2.93Å
62	R	96.7	Very high	96.5	Very high	146 Å²	146	51.5 Å²	51.5	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-58.5	-41.9	-177.7	-164.8	-163.7	70.9	73.8	-1.1	112.9	K58 E59 L64 G65 L66	K58-R62 WeakPolarHBondContact O-CB 3.3Å; K58-R62 PolarHBondContact O-N 3.42Å; E59-R62 PolarHBondContact O-N 2.99Å; E59-R62 IonicContact OE1-CZ 3.7Å; E59-R62 IonicContact OE1-NE 2.79Å; E59-R62 PolarHBondContact OE1-NE 2.84Å; E59-R62 IonicContact OE1-NH2 3.75Å; E59-R62 PolarHBondContact OE1-NH2 3.35Å; E59-R62 IonicContact OE2-CZ 3.63Å; E59-R62 IonicContact OE2-NE 2.71Å; E59-R62 PolarHBondContact OE2-NE 3.4Å; E59-R62 IonicContact OE2-NH2 3.65Å; R62-L64 PolarHBondContact O-N 3.13Å; R62-G65 PolarHBondContact O-N 2.95Å; R62-G65 VanDerWaalsContact O-N 3.11Å; R62-L66 WeakPolarHBondContact CA-O 3.03Å; R62-L66 PolarHBondContact N-O 3.48Å
63	L	95.6	Very high	96.6	Very high	54 Å²	54	54 Å²	54	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-23.1	178.3	-73.9	170.3	0	0	0	113.3	L25 A27 L30 E59 C61	L25-L63 HydrophobicContact CB-CD1 4.31Å; L25-L63 HydrophobicContact CD2-CD1 4.26Å; L25-L63 HydrophobicContact CG-CD1 4.26Å; L25-L63 VanDerWaalsContact O-CD1 3.26Å; L25-L63 WeakPolarHBondContact O-CD1 3.5Å; A27-L63 HydrophobicContact CB-CB 4.28Å; L30-L63 HydrophobicContact CD1-CB 4.25Å; E59-L63 HydrophobicContact CG-CD1 3.92Å; E59-L63 HydrophobicContact CG-CG 4.2Å; E59-L63 WeakPolarHBondContact O-CB 3.34Å; E59-L63 VanDerWaalsContact O-CG 3.28Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 3.44Å; C61-L63 VanDerWaalsContact C-N 3.34Å; C61-L63 PolarHBondContact O-N 3.26Å
64	L	93.8	Very high	96.7	Very high	60 Å²	60	52.1 Å²	52.1	31%	0.314	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	7.5	174.2	-62.4	173.6	0	0	0	112.9	L30 I32 V44 A60 C61 R62 L66	L30-L64 HydrophobicContact CB-CD1 4.46Å; L30-L64 HydrophobicContact CD1-CD1 4.03Å; L30-L64 HydrophobicContact CD1-CD2 4.2Å; L30-L64 HydrophobicContact CD1-CG 3.85Å; I32-L64 HydrophobicContact CG1-CD1 4.38Å; V44-L64 HydrophobicContact CB-CD1 4.42Å; V44-L64 HydrophobicContact CG1-CD1 3.73Å; V44-L64 HydrophobicContact CG2-CD1 3.74Å; A60-L64 WeakPolarHBondContact O-CG 3.3Å; A60-L64 PolarHBondContact O-N 3.46Å; C61-L64 CarbonylContact O-C 3.58Å; C61-L64 PolarHBondContact O-N 2.89Å; R62-L64 PolarHBondContact O-N 3.13Å; L64-L66 VanDerWaalsContact C-N 3.26Å; L64-L66 HydrophobicContact CB-CD1 4.27Å; L64-L66 HydrophobicContact CB-CG 4.12Å; L64-L66 PolarHBondContact O-N 3.13Å
65	G	94.9	Very high	96.7	Very high	70 Å²	70	52.5 Å²	52.5	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	14.9	-174.7	0	0	0	0	0	114.2	C61 R62	C61-G65 PolarHBondContact O-N 2.92Å; R62-G65 PolarHBondContact O-N 2.95Å; R62-G65 VanDerWaalsContact O-N 3.11Å
66	L	95.9	Very high	96.8	Very high	24 Å²	24	50.6 Å²	50.6	13%	0.126	27%	0.267	C	S	.	.			trans	-106.7	168.1	-177	-53.8	-177.2	0	0	0	111.7	T42 C61 R62 L64 C128 N130	T42-L66 HydrophobicContact CG2-CD1 3.97Å; C61-L66 CarbonylContact C-O 3.5Å; C61-L66 HydrophobicContact CB-CB 4.1Å; C61-L66 CarbonylContact O-C 3.56Å; C61-L66 WeakPolarHBondContact O-CA 3.46Å; C61-L66 WeakPolarHBondContact O-CB 3.26Å; C61-L66 PolarHBondContact O-N 3.19Å; C61-L66 VanDerWaalsContact O-O 3.08Å; R62-L66 WeakPolarHBondContact CA-O 3.03Å; R62-L66 PolarHBondContact N-O 3.48Å; L64-L66 VanDerWaalsContact C-N 3.26Å; L64-L66 HydrophobicContact CB-CD1 4.27Å; L64-L66 HydrophobicContact CB-CG 4.12Å; L64-L66 PolarHBondContact O-N 3.13Å; L66-C128 HydrophobicContact CB-CB 3.88Å; L66-C128 HydrophobicContact CD1-CB 3.55Å; L66-C128 HydrophobicContact CG-CB 4.38Å; L66-N130 HydrophobicContact CD2-CB 3.62Å
67	T	97.5	Very high	96.8	Very high	75 Å²	75	48.3 Å²	48.3	46%	0.46	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	158.4	170.5	55.2	0	0	0	0	110.4	A69 C128 Y129	T67-A69 PolarHBondContact O-N 3.42Å; T67-C128 CarbonylContact O-C 3.13Å; T67-C128 WeakPolarHBondContact O-CA 3.47Å; T67-Y129 PolarHBondContact N-O 3.41Å; T67-Y129 PolarHBondContact O-N 3.47Å; T67-Y129 PolarHBondContact OG1-O 3.17Å
68	L	97.9	Very high	96.8	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.2	163.2	-91.8	173	0	0	0	108.2	F54 A57 K58 W89 A126	F54-L68 HydrophobicContact CD2-CD1 4.42Å; F54-L68 HydrophobicContact CE2-CD1 3.82Å; F54-L68 HydrophobicContact CZ-CD1 4.49Å; A57-L68 HydrophobicContact CB-CD2 4.43Å; K58-L68 HydrophobicContact CB-CD1 3.67Å; K58-L68 HydrophobicContact CB-CG 4.46Å; K58-L68 HydrophobicContact CG-CD1 4.11Å; L68-W89 HydrophobicContact CD2-CB 4.33Å; L68-A126 HydrophobicContact CD2-CB 4.23Å
69	A	98.2	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63.4	147.5	179.9	0	0	0	0	0	111.9	I41 T67 V74 I90 G91 Y127	I41-A69 HydrophobicContact CD1-CB 3.36Å; T67-A69 PolarHBondContact O-N 3.42Å; A69-V74 HydrophobicContact CB-CG2 3.9Å; A69-I90 CarbonylContact O-C 3.46Å; A69-I90 WeakPolarHBondContact O-CA 3.5Å; A69-I90 VanDerWaalsContact O-CB 3.26Å; A69-I90 WeakPolarHBondContact O-CB 3.21Å; A69-G91 PolarHBondContact O-N 3.09Å; A69-Y127 WeakPolarHBondContact CB-O 3.45Å; A69-Y127 PolarHBondContact N-O 2.91Å
70	S	98.1	Very high	96.7	Very high	39 Å²	39	49.9 Å²	49.9	27%	0.273	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-80	160.3	164.5	76.4	0	0	0	0	111.1	D72 Q73 V74	S70-D72 PolarHBondContact O-N 3.41Å; S70-D72 PolarHBondContact OG-N 3.2Å; S70-Q73 PolarHBondContact O-N 3.1Å; S70-Q73 WeakPolarHBondContact OG-CG 3.39Å; S70-Q73 PolarHBondContact OG-N 3.07Å; S70-V74 PolarHBondContact O-N 3.31Å
71	K	97.6	Very high	96.6	Very high	64 Å²	64	54 Å²	54	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-45.5	-48.2	169.5	173	-166.8	157.3	-65.4	0	112.2	Q73 V74 E75 I90 I115	K71-Q73 PolarHBondContact O-N 3.11Å; K71-V74 PolarHBondContact O-N 2.99Å; K71-E75 WeakPolarHBondContact CE-OE1 3.36Å; K71-E75 IonicContact NZ-OE1 2.67Å; K71-E75 PolarHBondContact NZ-OE1 2.69Å; K71-E75 IonicContact NZ-OE2 3.36Å; K71-E75 PolarHBondContact NZ-OE2 3.01Å; K71-E75 VanDerWaalsContact NZ-OE2 3.09Å; K71-E75 PolarHBondContact O-N 3.17Å; K71-I90 HydrophobicContact CB-CD1 3.94Å; K71-I115 HydrophobicContact CD-CD1 3.89Å; K71-I115 HydrophobicContact CG-CD1 4.1Å
72	D	97.6	Very high	96.5	Very high	92 Å²	92	54.8 Å²	54.8	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-75.1	-26.7	-169.8	-54.8	-28.5	0	0	0	112.5	S70 T76	S70-D72 PolarHBondContact O-N 3.41Å; S70-D72 PolarHBondContact OG-N 3.2Å; D72-T76 WeakPolarHBondContact O-CB 3.41Å; D72-T76 PolarHBondContact O-N 3.25Å; D72-T76 PolarHBondContact O-OG1 2.79Å
73	Q	97.9	Very high	96.4	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-42.1	169	-67.4	166.7	-22.1	0	0	111	I41 S70 K71 E75 T76 A77 Y129	I41-Q73 HydrophobicContact CD1-CB 3.96Å; S70-Q73 PolarHBondContact O-N 3.1Å; S70-Q73 WeakPolarHBondContact OG-CG 3.39Å; S70-Q73 PolarHBondContact OG-N 3.07Å; K71-Q73 PolarHBondContact O-N 3.11Å; Q73-E75 PolarHBondContact O-N 3.04Å; Q73-T76 PolarHBondContact O-N 3.16Å; Q73-T76 VanDerWaalsContact O-N 3.16Å; Q73-A77 PolarHBondContact O-N 3.39Å; Q73-Y129 HydrophobicContact CB-CD2 4.43Å; Q73-Y129 HydrophobicContact CG-CD2 4.39Å; Q73-Y129 HydrophobicContact CG-CE2 4.49Å
74	V	97.7	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-37.8	174.4	-177.5	0	0	0	0	111.3	I41 A69 S70 K71 T76 A77 W78 I90 V96 V113 Y127	I41-V74 HydrophobicContact CD1-CG2 4.18Å; A69-V74 HydrophobicContact CB-CG2 3.9Å; S70-V74 PolarHBondContact O-N 3.31Å; K71-V74 PolarHBondContact O-N 2.99Å; V74-T76 VanDerWaalsContact C-N 3.31Å; V74-T76 PolarHBondContact O-N 3.21Å; V74-A77 PolarHBondContact O-N 2.93Å; V74-W78 WeakPolarHBondContact O-CB 3.26Å; V74-W78 PolarHBondContact O-N 3.43Å; V74-I90 HydrophobicContact CG2-CG2 3.99Å; V74-V96 HydrophobicContact CG1-CG2 4.21Å; V74-V113 HydrophobicContact CB-CG1 4.43Å; V74-V113 HydrophobicContact CG1-CG1 3.94Å; V74-V113 HydrophobicContact CG1-CG2 3.96Å; V74-Y127 HydrophobicContact CG2-CD1 4.47Å; V74-Y127 HydrophobicContact CG2-CG 4.23Å
75	E	97.8	Very high	96.3	Very high	48 Å²	48	50.2 Å²	50.2	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-30.5	172.2	-78.5	179.9	-168.7	0	0	113.3	K71 Q73 K79 V113	K71-E75 WeakPolarHBondContact CE-OE1 3.36Å; K71-E75 IonicContact NZ-OE1 2.67Å; K71-E75 PolarHBondContact NZ-OE1 2.69Å; K71-E75 IonicContact NZ-OE2 3.36Å; K71-E75 PolarHBondContact NZ-OE2 3.01Å; K71-E75 VanDerWaalsContact NZ-OE2 3.09Å; K71-E75 PolarHBondContact O-N 3.17Å; Q73-E75 PolarHBondContact O-N 3.04Å; E75-K79 WeakPolarHBondContact O-CD 3.46Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 3.39Å; E75-K79 VanDerWaalsContact O-N 3.13Å; E75-V113 HydrophobicContact CB-CG2 4.31Å; E75-V113 HydrophobicContact CG-CB 3.8Å; E75-V113 HydrophobicContact CG-CG1 4.4Å; E75-V113 HydrophobicContact CG-CG2 3.64Å
76	T	97.1	Very high	96.3	Very high	62 Å²	62	48.2 Å²	48.2	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-72.6	-41.9	175.5	-59.1	0	0	0	0	110.9	M39 D72 Q73 V74 K79 A80	M39-T76 HydrophobicContact CB-CG2 4.38Å; M39-T76 HydrophobicContact CG-CG2 4.18Å; D72-T76 WeakPolarHBondContact O-CB 3.41Å; D72-T76 PolarHBondContact O-N 3.25Å; D72-T76 PolarHBondContact O-OG1 2.79Å; Q73-T76 PolarHBondContact O-N 3.16Å; Q73-T76 VanDerWaalsContact O-N 3.16Å; V74-T76 VanDerWaalsContact C-N 3.31Å; V74-T76 PolarHBondContact O-N 3.21Å; T76-K79 PolarHBondContact O-N 2.67Å; T76-A80 PolarHBondContact O-N 2.96Å
77	A	96.1	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-40.8	170.6	0	0	0	0	0	112.3	I38 M39 I41 Q73 V74 K79 A80 S81 F82	I38-A77 HydrophobicContact CG2-CB 4.35Å; I38-A77 WeakPolarHBondContact O-CB 3.3Å; M39-A77 HydrophobicContact CB-CB 4.22Å; I41-A77 HydrophobicContact CB-CB 3.93Å; I41-A77 HydrophobicContact CG1-CB 3.7Å; Q73-A77 PolarHBondContact O-N 3.39Å; V74-A77 PolarHBondContact O-N 2.93Å; A77-K79 PolarHBondContact O-N 3.26Å; A77-A80 CarbonylContact O-C 3.52Å; A77-A80 VanDerWaalsContact O-C 3.25Å; A77-A80 WeakPolarHBondContact O-CA 3.42Å; A77-A80 WeakPolarHBondContact O-CB 3.31Å; A77-A80 PolarHBondContact O-N 3.01Å; A77-S81 PolarHBondContact O-N 3.34Å; A77-F82 HydrophobicContact CB-CB 3.82Å; A77-F82 HydrophobicContact CB-CD1 3.9Å; A77-F82 HydrophobicContact CB-CG 4.06Å; A77-F82 WeakPolarHBondContact O-CB 3.41Å; A77-F82 PolarHBondContact O-N 3.11Å
78	W	96.9	Very high	96.3	Very high	74 Å²	74	47.1 Å²	47.1	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-42.8	176.6	174	74	0	0	0	112.4	V74 A80 S81 S98 R99 V111 V113	V74-W78 WeakPolarHBondContact O-CB 3.26Å; V74-W78 PolarHBondContact O-N 3.43Å; W78-A80 PolarHBondContact O-N 3.12Å; W78-S81 PolarHBondContact O-N 3.37Å; W78-S98 VanDerWaalsContact CD1-OG 3.26Å; W78-R99 PolarHBondContact NE1-O 3.18Å; W78-V111 HydrophobicContact CZ2-CG1 4.25Å; W78-V113 HydrophobicContact CB-CG2 3.74Å; W78-V113 HydrophobicContact CG-CG2 4.08Å
79	K	96.6	Very high	96.4	Very high	141 Å²	141	45.9 Å²	45.9	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-61.7	-25.4	172.8	-68.7	159.4	-165.3	161	0	112.7	E75 T76 A77 S81	E75-K79 WeakPolarHBondContact O-CD 3.46Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 3.39Å; E75-K79 VanDerWaalsContact O-N 3.13Å; T76-K79 PolarHBondContact O-N 2.67Å; A77-K79 PolarHBondContact O-N 3.26Å; K79-S81 VanDerWaalsContact C-N 3.33Å
80	A	94.4	Very high	96.4	Very high	21 Å²	21	46 Å²	46	17%	0.174	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	25.3	174.1	0	0	0	0	0	113.2	I38 M39 T76 A77 W78	I38-A80 HydrophobicContact CG2-CB 3.64Å; I38-A80 WeakPolarHBondContact CG2-O 3.48Å; M39-A80 HydrophobicContact CE-CB 3.78Å; M39-A80 HydrophobicContact CG-CB 3.75Å; T76-A80 PolarHBondContact O-N 2.96Å; A77-A80 CarbonylContact O-C 3.52Å; A77-A80 VanDerWaalsContact O-C 3.25Å; A77-A80 WeakPolarHBondContact O-CA 3.42Å; A77-A80 WeakPolarHBondContact O-CB 3.31Å; A77-A80 PolarHBondContact O-N 3.01Å; W78-A80 PolarHBondContact O-N 3.12Å
81	S	93.6	Very high	96.3	Very high	87 Å²	87	45.8 Å²	45.8	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	33.5	176.5	-57.8	0	0	0	0	116.2	A77 W78 K79 I100	A77-S81 PolarHBondContact O-N 3.34Å; W78-S81 PolarHBondContact O-N 3.37Å; K79-S81 VanDerWaalsContact C-N 3.33Å; S81-I100 VanDerWaalsContact CA-CD1 3.49Å; S81-I100 WeakPolarHBondContact O-CD1 3.39Å
82	F	94	Very high	96	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.066	26%	0.258	C	S	.	.			trans	-86	114.3	167	-178.9	-113.7	0	0	0	112.6	I38 I41 A77 T84 S98 Y127	I38-F82 HydrophobicContact CB-CB 4.06Å; I38-F82 HydrophobicContact CB-CD2 4.26Å; I38-F82 HydrophobicContact CB-CG 4.46Å; I38-F82 HydrophobicContact CD1-CB 4.11Å; I38-F82 HydrophobicContact CD1-CD2 4.27Å; I38-F82 HydrophobicContact CG1-CD2 4.47Å; I38-F82 HydrophobicContact CG2-CB 4.04Å; I41-F82 HydrophobicContact CB-CE1 4.49Å; I41-F82 HydrophobicContact CG2-CD1 4.17Å; I41-F82 HydrophobicContact CG2-CE1 3.47Å; I41-F82 VanDerWaalsContact CG2-CE1 3.47Å; I41-F82 HydrophobicContact CG2-CE2 4.35Å; I41-F82 HydrophobicContact CG2-CZ 3.59Å; A77-F82 HydrophobicContact CB-CB 3.82Å; A77-F82 HydrophobicContact CB-CD1 3.9Å; A77-F82 HydrophobicContact CB-CG 4.06Å; A77-F82 WeakPolarHBondContact O-CB 3.41Å; A77-F82 PolarHBondContact O-N 3.11Å; F82-T84 HydrophobicContact CE1-CG2 4.16Å; F82-T84 HydrophobicContact CE2-CG2 4.32Å; F82-T84 HydrophobicContact CZ-CG2 3.82Å; F82-S98 WeakPolarHBondContact O-CB 3.28Å; F82-S98 PolarHBondContact O-OG 2.78Å; F82-Y127 AromaticContact CE1-CD1 3.93Å; F82-Y127 HydrophobicContact CE1-CD1 3.93Å; F82-Y127 AromaticContact CE1-CE1 3.55Å; F82-Y127 HydrophobicContact CE1-CE1 3.55Å; F82-Y127 HydrophobicContact CZ-CD1 4.13Å; F82-Y127 AromaticContact CZ-CE1 3.82Å; F82-Y127 HydrophobicContact CZ-CE1 3.82Å
83	E	94.4	Very high	95.9	Very high	74 Å²	74	43.9 Å²	43.9	35%	0.346	24%	0.243	S	C	.	.			trans	-124	155.9	167.8	68.4	159.4	68.1	0	0	113.7	S98 R99 I100 S101	E83-S98 CarbonylContact C-O 3.58Å; E83-S98 WeakPolarHBondContact CA-O 3.41Å; E83-S98 WeakPolarHBondContact CB-O 3.32Å; E83-R99 IonicContact OE1-CZ 3.09Å; E83-R99 IonicContact OE1-NH2 2.93Å; E83-R99 PolarHBondContact OE1-NH2 2.79Å; E83-R99 IonicContact OE2-CZ 3.26Å; E83-R99 IonicContact OE2-NH1 2.79Å; E83-R99 PolarHBondContact OE2-NH1 2.93Å; E83-R99 IonicContact OE2-NH2 2.71Å; E83-R99 PolarHBondContact OE2-NH2 2.8Å; E83-I100 HydrophobicContact CB-CB 4.4Å; E83-I100 HydrophobicContact CB-CD1 3.78Å; E83-I100 HydrophobicContact CB-CG1 3.96Å; E83-I100 HydrophobicContact CG-CD1 3.93Å; E83-I100 HydrophobicContact CG-CG1 4.48Å; E83-I100 PolarHBondContact OE1-N 3.03Å; E83-S101 PolarHBondContact OE1-N 3.44Å; E83-S101 VanDerWaalsContact OE1-N 3.15Å; E83-S101 PolarHBondContact OE1-OG 3.22Å
84	T	94.4	Very high	95.9	Very high	16 Å²	16	45 Å²	45	10%	0.098	25%	0.248	C	C	.	.			trans	-136.9	157.9	174.9	69.4	0	0	0	0	110.9	L43 F82 S86 S98 R99 Y127	L43-T84 HydrophobicContact CD2-CG2 4.2Å; F82-T84 HydrophobicContact CE1-CG2 4.16Å; F82-T84 HydrophobicContact CE2-CG2 4.32Å; F82-T84 HydrophobicContact CZ-CG2 3.82Å; T84-S86 PolarHBondContact OG1-O 3.24Å; T84-S98 PolarHBondContact N-O 3.39Å; T84-R99 WeakPolarHBondContact O-CD 3.42Å; T84-R99 PolarHBondContact O-NH1 3.47Å; T84-Y127 HydrophobicContact CG2-CE1 4.02Å; T84-Y127 PolarHBondContact OG1-OH 2.85Å
85	C	94.8	Very high	95.9	Very high	74 Å²	74	45 Å²	45	50%	0.5	25%	0.248	S	C	.	.	S	Bend	trans	-104.8	9.8	160.1	-162	0	0	0	0	112.2	C106	C85-C106 HydrophobicContact CB-CB 4.02Å; C85-C106 WeakPolarHBondContact CB-SG 3.26Å; C85-C106 WeakPolarHBondContact SG-CB 3.42Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 3.33Å
86	S	94.4	Very high	95.9	Very high	28 Å²	28	42.8 Å²	42.8	20%	0.196	24%	0.237	C	C	.	.	S	Bend	trans	-105	127.1	177.8	-58.1	0	0	0	0	110	Q33 T84 Y127	Q33-S86 PolarHBondContact NE2-OG 2.71Å; Q33-S86 PolarHBondContact OE1-OG 3.02Å; T84-S86 PolarHBondContact OG1-O 3.24Å; S86-Y127 PolarHBondContact O-OH 3.09Å
87	Y	96.6	Very high	95.9	Very high	76 Å²	76	39.8 Å²	39.8	30%	0.298	22%	0.219	S	C	.	.			trans	-69.9	140.2	165.6	-64.8	-87.8	0	0	0	110	V95 V96 I97 G107 W116 F124 A125	Y87-V95 HydrophobicContact CD1-CG1 4.34Å; Y87-V96 WeakPolarHBondContact CA-O 3.21Å; Y87-I97 HydrophobicContact CD1-CB 4.04Å; Y87-I97 HydrophobicContact CD1-CD1 4.45Å; Y87-I97 HydrophobicContact CD1-CG2 4.41Å; Y87-I97 HydrophobicContact CD2-CD1 4.47Å; Y87-I97 HydrophobicContact CE1-CB 4.31Å; Y87-I97 HydrophobicContact CE1-CD1 4.44Å; Y87-I97 HydrophobicContact CE1-CG2 4.21Å; Y87-I97 HydrophobicContact CE2-CD1 4.44Å; Y87-I97 HydrophobicContact CG-CD1 4.47Å; Y87-G107 PolarHBondContact OH-N 3.4Å; Y87-W116 AromaticContact CD1-CE3 3.94Å; Y87-W116 HydrophobicContact CD1-CE3 3.94Å; Y87-W116 HydrophobicContact CD1-CH2 4.44Å; Y87-W116 AromaticContact CD1-CZ3 3.88Å; Y87-W116 HydrophobicContact CD1-CZ3 3.88Å; Y87-W116 HydrophobicContact CE1-CD2 4.15Å; Y87-W116 AromaticContact CE1-CE3 3.79Å; Y87-W116 HydrophobicContact CE1-CE3 3.79Å; Y87-W116 AromaticContact CE1-CH2 3.65Å; Y87-W116 HydrophobicContact CE1-CH2 3.65Å; Y87-W116 HydrophobicContact CE1-CZ2 4.01Å; Y87-W116 AromaticContact CE1-CZ3 3.53Å; Y87-W116 HydrophobicContact CE1-CZ3 3.53Å; Y87-F124 HydrophobicContact CG-CD1 4.49Å; Y87-A125 WeakPolarHBondContact O-CB 3.31Å; Y87-A125 PolarHBondContact O-N 3.09Å
88	G	97.1	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151.2	179.1	0	0	0	0	0	114.8	V95 V96 A125 Y127	G88-V95 CarbonylContact O-C 3.6Å; G88-V95 WeakPolarHBondContact O-CA 3.42Å; G88-V96 PolarHBondContact N-O 3.03Å; G88-V96 PolarHBondContact O-N 3.44Å; G88-A125 CarbonylContact C-O 3.55Å; G88-A125 WeakPolarHBondContact CA-O 3.37Å; G88-Y127 WeakPolarHBondContact O-CD2 3.2Å
89	W	98.3	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	145.9	176.2	-66.7	104.9	0	0	0	112.5	L52 F54 A57 L68 G93 V95 V118 R122 F124 A125 Y127	L52-W89 PolarHBondContact O-NE1 3.02Å; F54-W89 HydrophobicContact CB-CD2 3.98Å; F54-W89 HydrophobicContact CB-CE3 3.96Å; F54-W89 HydrophobicContact CB-CH2 4.06Å; F54-W89 HydrophobicContact CB-CZ2 4.04Å; F54-W89 HydrophobicContact CB-CZ3 4.01Å; F54-W89 HydrophobicContact CD2-CB 4.38Å; F54-W89 AromaticContact CD2-CD2 3.95Å; F54-W89 HydrophobicContact CD2-CD2 3.95Å; F54-W89 AromaticContact CD2-CE3 3.63Å; F54-W89 HydrophobicContact CD2-CE3 3.63Å; F54-W89 HydrophobicContact CD2-CG 4.3Å; F54-W89 HydrophobicContact CD2-CZ3 4.25Å; F54-W89 HydrophobicContact CG-CD2 4.45Å; F54-W89 HydrophobicContact CG-CE3 4.16Å; F54-W89 HydrophobicContact CG-CZ3 4.39Å; A57-W89 HydrophobicContact CB-CB 3.9Å; A57-W89 HydrophobicContact CB-CG 3.9Å; L68-W89 HydrophobicContact CD2-CB 4.33Å; W89-G93 WeakPolarHBondContact CZ3-O 3.09Å; W89-V95 HydrophobicContact CD2-CG2 3.58Å; W89-V95 HydrophobicContact CE3-CG2 3.38Å; W89-V95 HydrophobicContact CG-CG2 4.26Å; W89-V95 HydrophobicContact CH2-CG2 3.92Å; W89-V95 HydrophobicContact CZ2-CG2 4.11Å; W89-V95 HydrophobicContact CZ3-CG2 3.56Å; W89-V118 HydrophobicContact CH2-CG2 3.6Å; W89-V118 HydrophobicContact CZ2-CG2 4.48Å; W89-V118 HydrophobicContact CZ3-CG2 3.81Å; W89-R122 HydrophobicContact CZ2-CB 4.48Å; W89-R122 WeakPolarHBondContact CZ2-O 3.44Å; W89-F124 AromaticContact CE2-CD2 3.9Å; W89-F124 AromaticContact CZ2-CD2 3.85Å; W89-F124 HydrophobicContact CZ2-CD2 3.85Å; W89-F124 HydrophobicContact CZ2-CE2 4.37Å; W89-F124 AromaticContact NE1-CD2 4Å; W89-A125 VanDerWaalsContact CD1-O 3.3Å; W89-A125 PolarHBondContact N-O 3.07Å; W89-Y127 PolarHBondContact O-N 2.83Å
90	I	98.3	Very high	96	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.194	C	C	.	.			trans	-121.6	164.9	166.6	55.4	164	0	0	0	110.4	F54 A69 K71 V74 D92 G93 F94 V96 Y127	F54-I90 WeakPolarHBondContact CE2-O 3.43Å; A69-I90 CarbonylContact O-C 3.46Å; A69-I90 WeakPolarHBondContact O-CA 3.5Å; A69-I90 VanDerWaalsContact O-CB 3.26Å; A69-I90 WeakPolarHBondContact O-CB 3.21Å; K71-I90 HydrophobicContact CB-CD1 3.94Å; V74-I90 HydrophobicContact CG2-CG2 3.99Å; I90-D92 HydrophobicContact CD1-CB 4.43Å; I90-D92 PolarHBondContact O-N 3.32Å; I90-D92 VanDerWaalsContact O-N 3.07Å; I90-G93 PolarHBondContact O-N 3.19Å; I90-G93 VanDerWaalsContact O-N 3.1Å; I90-F94 HydrophobicContact CD1-CB 4.16Å; I90-F94 HydrophobicContact CG1-CB 4.06Å; I90-F94 WeakPolarHBondContact CG1-O 3.08Å; I90-F94 PolarHBondContact N-O 2.83Å; I90-V96 HydrophobicContact CD1-CG1 3.7Å; I90-V96 HydrophobicContact CG1-CG1 4.06Å; I90-V96 HydrophobicContact CG2-CG1 4.3Å; I90-V96 HydrophobicContact CG2-CG2 3.75Å; I90-Y127 HydrophobicContact CG2-CD2 4.15Å
91	G	96.4	Very high	96.1	Very high	36 Å²	36	34.3 Å²	34.3	37%	0.371	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29	-171.9	0	0	0	0	0	115	A69 G93	A69-G91 PolarHBondContact O-N 3.09Å; G91-G93 PolarHBondContact O-N 2.88Å
92	D	92.2	Very high	96.3	Very high	97 Å²	97	33.9 Å²	33.9	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	0.4	-179.6	-54.4	-58.1	0	0	0	114.5	I90 F94	I90-D92 HydrophobicContact CD1-CB 4.43Å; I90-D92 PolarHBondContact O-N 3.32Å; I90-D92 VanDerWaalsContact O-N 3.07Å; D92-F94 HydrophobicContact CB-CD2 3.64Å; D92-F94 HydrophobicContact CB-CE2 4.09Å; D92-F94 PolarHBondContact O-N 3.27Å
93	G	94.9	Very high	96.5	Very high	18 Å²	18	35.6 Å²	35.6	19%	0.186	21%	0.207	C	C	.	.	S	Bend	trans	75.7	11.8	-176.1	0	0	0	0	0	114.1	W89 I90 G91	W89-G93 WeakPolarHBondContact CZ3-O 3.09Å; I90-G93 PolarHBondContact O-N 3.19Å; I90-G93 VanDerWaalsContact O-N 3.1Å; G91-G93 PolarHBondContact O-N 2.88Å
94	F	97.1	Very high	96.5	Very high	77 Å²	77	37.3 Å²	37.3	34%	0.338	23%	0.225	S	C	.	.			trans	-92.6	164.9	167.9	-61.5	-65.7	0	0	0	111.3	I90 D92 I115 K117	I90-F94 HydrophobicContact CD1-CB 4.16Å; I90-F94 HydrophobicContact CG1-CB 4.06Å; I90-F94 WeakPolarHBondContact CG1-O 3.08Å; I90-F94 PolarHBondContact N-O 2.83Å; D92-F94 HydrophobicContact CB-CD2 3.64Å; D92-F94 HydrophobicContact CB-CE2 4.09Å; D92-F94 PolarHBondContact O-N 3.27Å; F94-I115 HydrophobicContact CB-CG2 3.81Å; F94-I115 HydrophobicContact CD1-CG2 4.34Å; F94-I115 HydrophobicContact CG-CG2 4Å; F94-K117 HydrophobicContact CD1-CB 4.07Å; F94-K117 HydrophobicContact CD1-CG 4.31Å; F94-K117 HydrophobicContact CE1-CB 3.96Å; F94-K117 HydrophobicContact CE1-CD 4.2Å; F94-K117 HydrophobicContact CE1-CG 3.96Å
95	V	97.9	Very high	96.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.4	170.4	171.7	0	0	0	0	108.5	Y87 G88 W89 W116 V118 F124	Y87-V95 HydrophobicContact CD1-CG1 4.34Å; G88-V95 CarbonylContact O-C 3.6Å; G88-V95 WeakPolarHBondContact O-CA 3.42Å; W89-V95 HydrophobicContact CD2-CG2 3.58Å; W89-V95 HydrophobicContact CE3-CG2 3.38Å; W89-V95 HydrophobicContact CG-CG2 4.26Å; W89-V95 HydrophobicContact CH2-CG2 3.92Å; W89-V95 HydrophobicContact CZ2-CG2 4.11Å; W89-V95 HydrophobicContact CZ3-CG2 3.56Å; V95-W116 PolarHBondContact N-O 3Å; V95-W116 PolarHBondContact O-N 3.35Å; V95-V118 HydrophobicContact CB-CG2 4.08Å; V95-V118 HydrophobicContact CG2-CG2 3.51Å; V95-F124 HydrophobicContact CB-CD2 4.39Å; V95-F124 HydrophobicContact CB-CE2 4.49Å; V95-F124 HydrophobicContact CG1-CB 4.45Å; V95-F124 HydrophobicContact CG1-CD1 4.14Å; V95-F124 HydrophobicContact CG1-CD2 4.08Å; V95-F124 HydrophobicContact CG1-CE1 4.38Å; V95-F124 HydrophobicContact CG1-CE2 4.31Å; V95-F124 HydrophobicContact CG1-CG 3.97Å; V95-F124 HydrophobicContact CG1-CZ 4.45Å; V95-F124 HydrophobicContact CG2-CD2 3.5Å; V95-F124 VanDerWaalsContact CG2-CD2 3.5Å; V95-F124 HydrophobicContact CG2-CE2 3.81Å; V95-F124 HydrophobicContact CG2-CG 4.12Å
96	V	97.9	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	167	-179.9	-52.8	0	0	0	0	112.2	V74 Y87 G88 I90 V113 L114 I115 Y127	V74-V96 HydrophobicContact CG1-CG2 4.21Å; Y87-V96 WeakPolarHBondContact CA-O 3.21Å; G88-V96 PolarHBondContact N-O 3.03Å; G88-V96 PolarHBondContact O-N 3.44Å; I90-V96 HydrophobicContact CD1-CG1 3.7Å; I90-V96 HydrophobicContact CG1-CG1 4.06Å; I90-V96 HydrophobicContact CG2-CG1 4.3Å; I90-V96 HydrophobicContact CG2-CG2 3.75Å; V96-V113 HydrophobicContact CB-CG1 4Å; V96-V113 HydrophobicContact CG1-CG1 4.21Å; V96-V113 HydrophobicContact CG2-CG1 4.27Å; V96-L114 CarbonylContact C-O 3.48Å; V96-L114 WeakPolarHBondContact CA-O 3.34Å; V96-L114 VanDerWaalsContact CB-O 3.31Å; V96-L114 WeakPolarHBondContact CB-O 3.39Å; V96-I115 HydrophobicContact CG1-CB 4.35Å; V96-I115 HydrophobicContact CG1-CG1 3.98Å; V96-I115 HydrophobicContact CG1-CG2 4.2Å; V96-Y127 HydrophobicContact CG2-CD2 3.59Å; V96-Y127 HydrophobicContact CG2-CE2 3.33Å
97	I	97.5	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.6	162.6	-162.2	173.5	0	0	0	108.5	Y87 R99 C106 L114 W116	Y87-I97 HydrophobicContact CD1-CB 4.04Å; Y87-I97 HydrophobicContact CD1-CD1 4.45Å; Y87-I97 HydrophobicContact CD1-CG2 4.41Å; Y87-I97 HydrophobicContact CD2-CD1 4.47Å; Y87-I97 HydrophobicContact CE1-CB 4.31Å; Y87-I97 HydrophobicContact CE1-CD1 4.44Å; Y87-I97 HydrophobicContact CE1-CG2 4.21Å; Y87-I97 HydrophobicContact CE2-CD1 4.44Å; Y87-I97 HydrophobicContact CG-CD1 4.47Å; I97-R99 HydrophobicContact CG2-CG 4.27Å; I97-C106 HydrophobicContact CD1-CB 4.18Å; I97-L114 HydrophobicContact CG2-CB 4.13Å; I97-L114 HydrophobicContact CG2-CD1 4.12Å; I97-L114 PolarHBondContact N-O 2.81Å; I97-L114 PolarHBondContact O-N 3.39Å; I97-W116 HydrophobicContact CB-CZ3 4.19Å; I97-W116 HydrophobicContact CG2-CH2 3.61Å; I97-W116 HydrophobicContact CG2-CZ3 3.52Å
98	S	97.3	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.1	179.8	-168.2	0	0	0	0	110	W78 F82 E83 T84	W78-S98 VanDerWaalsContact CD1-OG 3.26Å; F82-S98 WeakPolarHBondContact O-CB 3.28Å; F82-S98 PolarHBondContact O-OG 2.78Å; E83-S98 CarbonylContact C-O 3.58Å; E83-S98 WeakPolarHBondContact CA-O 3.41Å; E83-S98 WeakPolarHBondContact CB-O 3.32Å; T84-S98 PolarHBondContact N-O 3.39Å
99	R	97.7	Very high	96.7	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.9	-178.5	-66	-53.6	-50.1	146.3	10.3	111.1	W78 E83 T84 I97 S101 G110 G112 L114	W78-R99 PolarHBondContact NE1-O 3.18Å; E83-R99 IonicContact OE1-CZ 3.09Å; E83-R99 IonicContact OE1-NH2 2.93Å; E83-R99 PolarHBondContact OE1-NH2 2.79Å; E83-R99 IonicContact OE2-CZ 3.26Å; E83-R99 IonicContact OE2-NH1 2.79Å; E83-R99 PolarHBondContact OE2-NH1 2.93Å; E83-R99 IonicContact OE2-NH2 2.71Å; E83-R99 PolarHBondContact OE2-NH2 2.8Å; T84-R99 WeakPolarHBondContact O-CD 3.42Å; T84-R99 PolarHBondContact O-NH1 3.47Å; I97-R99 HydrophobicContact CG2-CG 4.27Å; R99-S101 PolarHBondContact NE-O 2.8Å; R99-S101 VanDerWaalsContact NE-O 3.12Å; R99-S101 PolarHBondContact NH2-O 2.04Å; R99-S101 PolarHBondContact NH2-OG 3.49Å; R99-G110 VanDerWaalsContact CB-O 3.3Å; R99-G110 WeakPolarHBondContact CB-O 3.14Å; R99-G112 PolarHBondContact N-O 2.82Å; R99-G112 PolarHBondContact O-N 3.34Å; R99-L114 HydrophobicContact CG-CD1 4.32Å
100	I	97.1	Very high	96.6	Very high	67 Å²	67	50.4 Å²	50.4	34%	0.344	28%	0.281	S	S	.	.	S	Bend	trans	-87	-49.8	168.2	-58.4	153.9	0	0	0	108.4	S81 E83 V111	S81-I100 VanDerWaalsContact CA-CD1 3.49Å; S81-I100 WeakPolarHBondContact O-CD1 3.39Å; E83-I100 HydrophobicContact CB-CB 4.4Å; E83-I100 HydrophobicContact CB-CD1 3.78Å; E83-I100 HydrophobicContact CB-CG1 3.96Å; E83-I100 HydrophobicContact CG-CD1 3.93Å; E83-I100 HydrophobicContact CG-CG1 4.48Å; E83-I100 PolarHBondContact OE1-N 3.03Å; I100-V111 WeakPolarHBondContact O-CG1 3.3Å
101	S	96.9	Very high	96.6	Very high	51 Å²	51	53.9 Å²	53.9	36%	0.357	30%	0.301	S	S	.	.	S	Bend	trans	-93.5	138.8	176.1	55.7	0	0	0	0	112	E83 R99	E83-S101 PolarHBondContact OE1-N 3.44Å; E83-S101 VanDerWaalsContact OE1-N 3.15Å; E83-S101 PolarHBondContact OE1-OG 3.22Å; R99-S101 PolarHBondContact NE-O 2.8Å; R99-S101 VanDerWaalsContact NE-O 3.12Å; R99-S101 PolarHBondContact NH2-O 2.04Å; R99-S101 PolarHBondContact NH2-OG 3.49Å
102	P	97.2	Very high	96.7	Very high	78 Å²	78	52.7 Å²	52.7	51%	0.506	29%	0.29	S	S	.	.			trans	-66.5	137.3	170.9	28.9	-33.5	0	0	0	109.6	V111	P102-V111 HydrophobicContact CB-CG2 3.97Å; P102-V111 HydrophobicContact CG-CG2 4.36Å
103	N	97.2	Very high	97	Very high	50 Å²	50	49 Å²	49	27%	0.267	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-145	124.3	179.7	-175.1	-35.1	0	0	0	110.3	K105 C106 N109	N103-K105 PolarHBondContact O-N 3.44Å; N103-K105 VanDerWaalsContact O-N 3.08Å; N103-K105 WeakPolarHBondContact OD1-CB 3.43Å; N103-K105 PolarHBondContact OD1-N 2.75Å; N103-C106 HydrophobicContact CB-CB 4.11Å; N103-C106 PolarHBondContact ND2-SG 3.47Å; N103-C106 VanDerWaalsContact ND2-SG 3.44Å; N103-C106 PolarHBondContact O-N 2.85Å; N103-C106 VanDerWaalsContact O-N 3.08Å; N103-N109 WeakPolarHBondContact CA-OD1 3.5Å; N103-N109 PolarHBondContact N-OD1 3.04Å; N103-N109 VanDerWaalsContact N-OD1 3.16Å; N103-N109 WeakPolarHBondContact O-CA 3.35Å; N103-N109 PolarHBondContact O-N 3.36Å
104	P	96	Very high	97.1	Very high	111 Å²	111	50 Å²	50	72%	0.721	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.5	-176.7	25.5	-34.7	0	0	0	113.7	N109	P104-N109 VanDerWaalsContact N-OD1 3.13Å
105	K	96.4	Very high	97.1	Very high	190 Å²	190	49.9 Å²	49.9	83%	0.826	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-15.7	177.2	-59.2	-179	-179	178.4	0	113.7	N103	N103-K105 PolarHBondContact O-N 3.44Å; N103-K105 VanDerWaalsContact O-N 3.08Å; N103-K105 WeakPolarHBondContact OD1-CB 3.43Å; N103-K105 PolarHBondContact OD1-N 2.75Å
106	C	96.6	Very high	97.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.014	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-122.9	131.5	-173.7	-39.7	0	0	0	0	110.5	C85 I97 N103 K108 N109	C85-C106 HydrophobicContact CB-CB 4.02Å; C85-C106 WeakPolarHBondContact CB-SG 3.26Å; C85-C106 WeakPolarHBondContact SG-CB 3.42Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 3.33Å; I97-C106 HydrophobicContact CD1-CB 4.18Å; N103-C106 HydrophobicContact CB-CB 4.11Å; N103-C106 PolarHBondContact ND2-SG 3.47Å; N103-C106 VanDerWaalsContact ND2-SG 3.44Å; N103-C106 PolarHBondContact O-N 2.85Å; N103-C106 VanDerWaalsContact O-N 3.08Å; C106-K108 VanDerWaalsContact C-N 3.25Å; C106-K108 PolarHBondContact O-N 3.45Å; C106-K108 VanDerWaalsContact O-N 3.08Å; C106-N109 PolarHBondContact O-N 3.18Å; C106-N109 VanDerWaalsContact O-N 3.15Å
107	G	94.6	Very high	97.1	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.021	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	56.3	31.1	169.8	0	0	0	0	0	116	Y87 N109 G110 L114	Y87-G107 PolarHBondContact OH-N 3.4Å; G107-N109 VanDerWaalsContact C-N 3.27Å; G107-N109 PolarHBondContact O-N 2.91Å; G107-G110 PolarHBondContact O-N 3.42Å; G107-G110 VanDerWaalsContact O-N 3.13Å; G107-L114 WeakPolarHBondContact O-CD1 3.4Å
108	K	95.9	Very high	97	Very high	173 Å²	173	63.9 Å²	63.9	75%	0.752	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	53.8	36.6	-176.3	-56.5	-173.5	175.9	-172	0	114.3	C106 G110	C106-K108 VanDerWaalsContact C-N 3.25Å; C106-K108 PolarHBondContact O-N 3.45Å; C106-K108 VanDerWaalsContact O-N 3.08Å; K108-G110 PolarHBondContact O-N 2.85Å
109	N	97.1	Very high	97	Very high	81 Å²	81	66.6 Å²	66.6	43%	0.433	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	63.9	13.2	-177.7	-155.9	67.6	0	0	0	115.3	N103 P104 C106 G107	N103-N109 WeakPolarHBondContact CA-OD1 3.5Å; N103-N109 PolarHBondContact N-OD1 3.04Å; N103-N109 VanDerWaalsContact N-OD1 3.16Å; N103-N109 WeakPolarHBondContact O-CA 3.35Å; N103-N109 PolarHBondContact O-N 3.36Å; P104-N109 VanDerWaalsContact N-OD1 3.13Å; C106-N109 PolarHBondContact O-N 3.18Å; C106-N109 VanDerWaalsContact O-N 3.15Å; G107-N109 VanDerWaalsContact C-N 3.27Å; G107-N109 PolarHBondContact O-N 2.91Å
110	G	96.9	Very high	96.9	Very high	21 Å²	21	70.5 Å²	70.5	22%	0.216	38%	0.383	C	S	.	.			trans	-76.6	169.8	173.9	0	0	0	0	0	113.5	R99 G107 K108	R99-G110 VanDerWaalsContact CB-O 3.3Å; R99-G110 WeakPolarHBondContact CB-O 3.14Å; G107-G110 PolarHBondContact O-N 3.42Å; G107-G110 VanDerWaalsContact O-N 3.13Å; K108-G110 PolarHBondContact O-N 2.85Å
111	V	97.9	Very high	96.7	Very high	73 Å²	73	72.9 Å²	72.9	44%	0.442	40%	0.396	S	S	.	.			trans	-130	147.7	176.8	172	0	0	0	0	108.5	W78 I100 P102	W78-V111 HydrophobicContact CZ2-CG1 4.25Å; I100-V111 WeakPolarHBondContact O-CG1 3.3Å; P102-V111 HydrophobicContact CB-CG2 3.97Å; P102-V111 HydrophobicContact CG-CG2 4.36Å
112	G	97.9	Very high	96.7	Very high	12 Å²	12	78.2 Å²	78.2	12%	0.124	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-169.5	-171.8	0	0	0	0	0	112.9	R99 L114	R99-G112 PolarHBondContact N-O 2.82Å; R99-G112 PolarHBondContact O-N 3.34Å; G112-L114 PolarHBondContact O-N 3.41Å
113	V	98.1	Very high	96.6	Very high	18 Å²	18	78.3 Å²	78.3	11%	0.109	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	100.3	166.1	-179.6	0	0	0	0	107.8	V74 E75 W78 V96	V74-V113 HydrophobicContact CB-CG1 4.43Å; V74-V113 HydrophobicContact CG1-CG1 3.94Å; V74-V113 HydrophobicContact CG1-CG2 3.96Å; E75-V113 HydrophobicContact CB-CG2 4.31Å; E75-V113 HydrophobicContact CG-CB 3.8Å; E75-V113 HydrophobicContact CG-CG1 4.4Å; E75-V113 HydrophobicContact CG-CG2 3.64Å; W78-V113 HydrophobicContact CB-CG2 3.74Å; W78-V113 HydrophobicContact CG-CG2 4.08Å; V96-V113 HydrophobicContact CB-CG1 4Å; V96-V113 HydrophobicContact CG1-CG1 4.21Å; V96-V113 HydrophobicContact CG2-CG1 4.27Å
114	L	98	Very high	96.6	Very high	41 Å²	41	78.3 Å²	78.3	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	142	-177	-51.6	169.1	0	0	0	109.1	V96 I97 R99 G107 G112 W116	V96-L114 CarbonylContact C-O 3.48Å; V96-L114 WeakPolarHBondContact CA-O 3.34Å; V96-L114 VanDerWaalsContact CB-O 3.31Å; V96-L114 WeakPolarHBondContact CB-O 3.39Å; I97-L114 HydrophobicContact CG2-CB 4.13Å; I97-L114 HydrophobicContact CG2-CD1 4.12Å; I97-L114 PolarHBondContact N-O 2.81Å; I97-L114 PolarHBondContact O-N 3.39Å; R99-L114 HydrophobicContact CG-CD1 4.32Å; G107-L114 WeakPolarHBondContact O-CD1 3.4Å; G112-L114 PolarHBondContact O-N 3.41Å; L114-W116 VanDerWaalsContact C-CZ3 3.47Å; L114-W116 HydrophobicContact CB-CH2 3.35Å; L114-W116 HydrophobicContact CB-CZ2 4.28Å; L114-W116 HydrophobicContact CB-CZ3 3.57Å; L114-W116 HydrophobicContact CD1-CH2 4.04Å; L114-W116 HydrophobicContact CG-CH2 4.36Å; L114-W116 VanDerWaalsContact O-CZ3 3.24Å; L114-W116 WeakPolarHBondContact O-CZ3 3.25Å
115	I	97.7	Very high	96.6	Very high	74 Å²	74	73.2 Å²	73.2	38%	0.379	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.6	-166.7	-47.8	-178.3	0	0	0	111.3	K71 F94 V96	K71-I115 HydrophobicContact CD-CD1 3.89Å; K71-I115 HydrophobicContact CG-CD1 4.1Å; F94-I115 HydrophobicContact CB-CG2 3.81Å; F94-I115 HydrophobicContact CD1-CG2 4.34Å; F94-I115 HydrophobicContact CG-CG2 4Å; V96-I115 HydrophobicContact CG1-CB 4.35Å; V96-I115 HydrophobicContact CG1-CG1 3.98Å; V96-I115 HydrophobicContact CG1-CG2 4.2Å
116	W	97.4	Very high	96.7	Very high	63 Å²	63	64.1 Å²	64.1	24%	0.239	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.1	173.9	-68	-91.9	0	0	0	112.1	Y87 V95 I97 L114 V118	Y87-W116 AromaticContact CD1-CE3 3.94Å; Y87-W116 HydrophobicContact CD1-CE3 3.94Å; Y87-W116 HydrophobicContact CD1-CH2 4.44Å; Y87-W116 AromaticContact CD1-CZ3 3.88Å; Y87-W116 HydrophobicContact CD1-CZ3 3.88Å; Y87-W116 HydrophobicContact CE1-CD2 4.15Å; Y87-W116 AromaticContact CE1-CE3 3.79Å; Y87-W116 HydrophobicContact CE1-CE3 3.79Å; Y87-W116 AromaticContact CE1-CH2 3.65Å; Y87-W116 HydrophobicContact CE1-CH2 3.65Å; Y87-W116 HydrophobicContact CE1-CZ2 4.01Å; Y87-W116 AromaticContact CE1-CZ3 3.53Å; Y87-W116 HydrophobicContact CE1-CZ3 3.53Å; V95-W116 PolarHBondContact N-O 3Å; V95-W116 PolarHBondContact O-N 3.35Å; I97-W116 HydrophobicContact CB-CZ3 4.19Å; I97-W116 HydrophobicContact CG2-CH2 3.61Å; I97-W116 HydrophobicContact CG2-CZ3 3.52Å; L114-W116 VanDerWaalsContact C-CZ3 3.47Å; L114-W116 HydrophobicContact CB-CH2 3.35Å; L114-W116 HydrophobicContact CB-CZ2 4.28Å; L114-W116 HydrophobicContact CB-CZ3 3.57Å; L114-W116 HydrophobicContact CD1-CH2 4.04Å; L114-W116 HydrophobicContact CG-CH2 4.36Å; L114-W116 VanDerWaalsContact O-CZ3 3.24Å; L114-W116 WeakPolarHBondContact O-CZ3 3.25Å; W116-V118 HydrophobicContact CB-CG1 4.28Å
117	K	96.9	Very high	96.7	Very high	186 Å²	186	64 Å²	64	81%	0.809	33%	0.327	S	S	*	.			trans	-85.7	122.5	164.4	-169	173.2	-174.6	173.7	0	109.1	F94	F94-K117 HydrophobicContact CD1-CB 4.07Å; F94-K117 HydrophobicContact CD1-CG 4.31Å; F94-K117 HydrophobicContact CE1-CB 3.96Å; F94-K117 HydrophobicContact CE1-CD 4.2Å; F94-K117 HydrophobicContact CE1-CG 3.96Å
118	V	96.4	Very high	96.8	Very high	46 Å²	46	64 Å²	64	28%	0.279	33%	0.326	S	S	.	.			trans	-139.2	163.8	-175.7	-71.3	0	0	0	0	110.1	W89 V95 W116 F124	W89-V118 HydrophobicContact CH2-CG2 3.6Å; W89-V118 HydrophobicContact CZ2-CG2 4.48Å; W89-V118 HydrophobicContact CZ3-CG2 3.81Å; V95-V118 HydrophobicContact CB-CG2 4.08Å; V95-V118 HydrophobicContact CG2-CG2 3.51Å; W116-V118 HydrophobicContact CB-CG1 4.28Å; V118-F124 HydrophobicContact CG2-CE2 4.05Å
119	A	96.6	Very high	96.9	Very high	57 Å²	57	58.2 Å²	58.2	47%	0.471	30%	0.3	S	S	.	.			trans	-72.2	137.4	172.9	0	0	0	0	0	110.9	N121 R122	A119-N121 VanDerWaalsContact CB-OD1 3.26Å; A119-N121 WeakPolarHBondContact CB-OD1 3.5Å; A119-N121 PolarHBondContact O-N 2.8Å; A119-R122 WeakPolarHBondContact O-CB 3.43Å; A119-R122 WeakPolarHBondContact O-CG 3.47Å; A119-R122 PolarHBondContact O-N 3.26Å
120	V	95.2	Very high	96.8	Very high	85 Å²	85	55.8 Å²	55.8	52%	0.515	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.2	-174.7	-64.9	0	0	0	0	115.2	F54	F54-V120 HydrophobicContact CB-CB 3.98Å; F54-V120 HydrophobicContact CB-CG1 4.25Å; F54-V120 HydrophobicContact CD1-CG1 4.16Å; F54-V120 HydrophobicContact CG-CG1 4.42Å; F54-V120 PolarHBondContact N-O 3.05Å; F54-V120 VanDerWaalsContact N-O 3.09Å
121	N	94.4	Very high	96.7	Very high	117 Å²	117	59.1 Å²	59.1	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.5	176.9	69.7	-20.5	0	0	0	114.2	A119	A119-N121 VanDerWaalsContact CB-OD1 3.26Å; A119-N121 WeakPolarHBondContact CB-OD1 3.5Å; A119-N121 PolarHBondContact O-N 2.8Å
122	R	96.6	Very high	96.4	Very high	163 Å²	163	60.3 Å²	60.3	62%	0.615	32%	0.318	S	S	*	.	S	Bend	trans	-65.3	162	166.3	-67.6	-61.8	-169	177.8	1.1	109.8	N53 W89 A119 F124	N53-R122 VanDerWaalsContact CA-O 3.3Å; N53-R122 WeakPolarHBondContact CA-O 3.39Å; W89-R122 HydrophobicContact CZ2-CB 4.48Å; W89-R122 WeakPolarHBondContact CZ2-O 3.44Å; A119-R122 WeakPolarHBondContact O-CB 3.43Å; A119-R122 WeakPolarHBondContact O-CG 3.47Å; A119-R122 PolarHBondContact O-N 3.26Å; R122-F124 HydrophobicContact CB-CD2 4.19Å; R122-F124 HydrophobicContact CB-CE2 3.5Å; R122-F124 HydrophobicContact CB-CZ 4.25Å; R122-F124 HydrophobicContact CG-CE2 4.44Å
123	Q	95.3	Very high	96.1	Very high	79 Å²	79	61.2 Å²	61.2	37%	0.369	32%	0.321	S	S	.	.			trans	-123.9	130.5	-174	-52.2	-178	2.7	0	0	110.5	Q51 L52	Q51-Q123 HydrophobicContact CB-CB 3.54Å; Q51-Q123 PolarHBondContact OE1-O 3.11Å; L52-Q123 CarbonylContact O-C 3.25Å; L52-Q123 VanDerWaalsContact O-CA 3.3Å; L52-Q123 WeakPolarHBondContact O-CA 3.37Å
124	F	96.5	Very high	95.5	Very high	50 Å²	50	67.2 Å²	67.2	22%	0.219	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-151.8	176.9	-174.4	-63.2	-72.1	0	0	0	109.9	Q51 L52 Y87 W89 V95 V118 R122	Q51-F124 CarbonylContact C-O 3.58Å; L52-F124 WeakPolarHBondContact CA-O 3.48Å; L52-F124 WeakPolarHBondContact CB-O 3.46Å; L52-F124 PolarHBondContact N-O 3.46Å; L52-F124 PolarHBondContact O-N 2.9Å; L52-F124 VanDerWaalsContact O-O 3.12Å; Y87-F124 HydrophobicContact CG-CD1 4.49Å; W89-F124 AromaticContact CE2-CD2 3.9Å; W89-F124 AromaticContact CZ2-CD2 3.85Å; W89-F124 HydrophobicContact CZ2-CD2 3.85Å; W89-F124 HydrophobicContact CZ2-CE2 4.37Å; W89-F124 AromaticContact NE1-CD2 4Å; V95-F124 HydrophobicContact CB-CD2 4.39Å; V95-F124 HydrophobicContact CB-CE2 4.49Å; V95-F124 HydrophobicContact CG1-CB 4.45Å; V95-F124 HydrophobicContact CG1-CD1 4.14Å; V95-F124 HydrophobicContact CG1-CD2 4.08Å; V95-F124 HydrophobicContact CG1-CE1 4.38Å; V95-F124 HydrophobicContact CG1-CE2 4.31Å; V95-F124 HydrophobicContact CG1-CG 3.97Å; V95-F124 HydrophobicContact CG1-CZ 4.45Å; V95-F124 HydrophobicContact CG2-CD2 3.5Å; V95-F124 VanDerWaalsContact CG2-CD2 3.5Å; V95-F124 HydrophobicContact CG2-CE2 3.81Å; V95-F124 HydrophobicContact CG2-CG 4.12Å; V118-F124 HydrophobicContact CG2-CE2 4.05Å; R122-F124 HydrophobicContact CB-CD2 4.19Å; R122-F124 HydrophobicContact CB-CE2 3.5Å; R122-F124 HydrophobicContact CB-CZ 4.25Å; R122-F124 HydrophobicContact CG-CE2 4.44Å
125	A	96.7	Very high	94.9	Very high	4 Å²	4	68.1 Å²	68.1	3%	0.033	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-178.6	168.4	0	0	0	0	0	111.3	L43 V44 Y87 G88 W89	L43-A125 HydrophobicContact CD1-CB 3.57Å; L43-A125 HydrophobicContact CD2-CB 4.25Å; L43-A125 HydrophobicContact CG-CB 3.88Å; V44-A125 CarbonylContact O-C 3.33Å; V44-A125 WeakPolarHBondContact O-CA 3.47Å; Y87-A125 WeakPolarHBondContact O-CB 3.31Å; Y87-A125 PolarHBondContact O-N 3.09Å; G88-A125 CarbonylContact C-O 3.55Å; G88-A125 WeakPolarHBondContact CA-O 3.37Å; W89-A125 VanDerWaalsContact CD1-O 3.3Å; W89-A125 PolarHBondContact N-O 3.07Å
126	A	97.3	Very high	94.4	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.3	173	0	0	0	0	0	110	L43 V44 L52 A57 L68 C128	L43-A126 WeakPolarHBondContact CA-O 3.41Å; V44-A126 HydrophobicContact CB-CB 4.44Å; V44-A126 PolarHBondContact N-O 2.85Å; V44-A126 PolarHBondContact O-N 3.19Å; L52-A126 HydrophobicContact CD1-CB 3.97Å; A57-A126 HydrophobicContact CB-CB 3.7Å; L68-A126 HydrophobicContact CD2-CB 4.23Å; A126-C128 PolarHBondContact O-N 3.42Å
127	Y	97.4	Very high	93.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112.4	166.5	-70.9	-79.1	0	0	0	108.4	I41 L43 A69 V74 F82 T84 S86 G88 W89 I90 V96	I41-Y127 HydrophobicContact CG2-CD1 4.03Å; L43-Y127 HydrophobicContact CD1-CD1 3.8Å; L43-Y127 HydrophobicContact CD1-CD2 4.33Å; L43-Y127 HydrophobicContact CD1-CE1 3.67Å; L43-Y127 HydrophobicContact CD1-CE2 4.21Å; L43-Y127 HydrophobicContact CD1-CG 4.14Å; A69-Y127 WeakPolarHBondContact CB-O 3.45Å; A69-Y127 PolarHBondContact N-O 2.91Å; V74-Y127 HydrophobicContact CG2-CD1 4.47Å; V74-Y127 HydrophobicContact CG2-CG 4.23Å; F82-Y127 AromaticContact CE1-CD1 3.93Å; F82-Y127 HydrophobicContact CE1-CD1 3.93Å; F82-Y127 AromaticContact CE1-CE1 3.55Å; F82-Y127 HydrophobicContact CE1-CE1 3.55Å; F82-Y127 HydrophobicContact CZ-CD1 4.13Å; F82-Y127 AromaticContact CZ-CE1 3.82Å; F82-Y127 HydrophobicContact CZ-CE1 3.82Å; T84-Y127 HydrophobicContact CG2-CE1 4.02Å; T84-Y127 PolarHBondContact OG1-OH 2.85Å; S86-Y127 PolarHBondContact O-OH 3.09Å; G88-Y127 WeakPolarHBondContact O-CD2 3.2Å; W89-Y127 PolarHBondContact O-N 2.83Å; I90-Y127 HydrophobicContact CG2-CD2 4.15Å; V96-Y127 HydrophobicContact CG2-CD2 3.59Å; V96-Y127 HydrophobicContact CG2-CE2 3.33Å
128	C	97.1	Very high	93.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.9	178.8	-57.3	0	0	0	0	110.2	I41 T42 V44 C61 L66 T67 A126	I41-C128 WeakPolarHBondContact CA-O 3.47Å; T42-C128 HydrophobicContact CG2-CB 4.39Å; T42-C128 PolarHBondContact N-O 2.93Å; T42-C128 PolarHBondContact O-N 2.73Å; V44-C128 HydrophobicContact CG2-CB 4.08Å; V44-C128 WeakPolarHBondContact CG2-SG 3.43Å; C61-C128 WeakPolarHBondContact CA-SG 3.36Å; C61-C128 HydrophobicContact CB-CB 3.8Å; C61-C128 WeakPolarHBondContact CB-SG 3.49Å; C61-C128 VanDerWaalsContact SG-CA 3.52Å; C61-C128 WeakPolarHBondContact SG-CB 3.48Å; C61-C128 CovalentContact SG-SG 2.04Å; C61-C128 PolarHBondContact SG-SG 2.93Å; L66-C128 HydrophobicContact CB-CB 3.88Å; L66-C128 HydrophobicContact CD1-CB 3.55Å; L66-C128 HydrophobicContact CG-CB 4.38Å; T67-C128 CarbonylContact O-C 3.13Å; T67-C128 WeakPolarHBondContact O-CA 3.47Å; A126-C128 PolarHBondContact O-N 3.42Å
129	Y	97.1	Very high	92.7	Very high	53 Å²	53	60.4 Å²	60.4	21%	0.208	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.8	178.9	175.1	-108.5	0	0	0	111.1	M39 G40 I41 T67 Q73 S131	M39-Y129 WeakPolarHBondContact O-CE2 3.36Å; G40-Y129 WeakPolarHBondContact O-CA 3.41Å; I41-Y129 HydrophobicContact CD1-CD2 3.98Å; I41-Y129 HydrophobicContact CD1-CG 4.44Å; T67-Y129 PolarHBondContact N-O 3.41Å; T67-Y129 PolarHBondContact O-N 3.47Å; T67-Y129 PolarHBondContact OG1-O 3.17Å; Q73-Y129 HydrophobicContact CB-CD2 4.43Å; Q73-Y129 HydrophobicContact CG-CD2 4.39Å; Q73-Y129 HydrophobicContact CG-CE2 4.49Å; Y129-S131 VanDerWaalsContact CE1-CA 3.5Å
130	N	96	Very high	91.8	Very high	29 Å²	29	62.8 Å²	62.8	16%	0.155	34%	0.343	C	S	.	.			trans	-99.3	110.3	170.1	-175.4	5.6	0	0	0	110.1	G40 L66 S132 D133	G40-N130 PolarHBondContact O-N 3.16Å; L66-N130 HydrophobicContact CD2-CB 3.62Å; N130-S132 PolarHBondContact O-N 2.96Å; N130-S132 PolarHBondContact OD1-N 3.5Å; N130-D133 HydrophobicContact CB-CB 4.05Å; N130-D133 PolarHBondContact O-N 3.13Å
131	S	94.4	Very high	90.3	Very high	91 Å²	91	63.6 Å²	63.6	64%	0.636	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-17	176.3	53.3	0	0	0	0	114.1	Y129	Y129-S131 VanDerWaalsContact CE1-CA 3.5Å
132	S	92.4	Very high	88.7	Confident	98 Å²	98	63.5 Å²	63.5	69%	0.685	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	6.5	-179.5	-52.6	0	0	0	0	112.8	N130 T134	N130-S132 PolarHBondContact O-N 2.96Å; N130-S132 PolarHBondContact OD1-N 3.5Å; S132-T134 PolarHBondContact O-N 2.86Å
133	D	89.7	Confident	86.9	Confident	32 Å²	32	63 Å²	63	17%	0.171	35%	0.353	C	S	.	.			trans	-83.6	104.1	178.7	-147.5	21.9	0	0	0	109.5	R37 G40 N130 W135	R37-D133 VanDerWaalsContact CB-OD2 3.22Å; R37-D133 WeakPolarHBondContact CB-OD2 3.22Å; R37-D133 WeakPolarHBondContact CD-OD2 3.45Å; R37-D133 IonicContact CZ-OD1 2.76Å; R37-D133 IonicContact CZ-OD2 3.43Å; R37-D133 VanDerWaalsContact NE-CG 3.27Å; R37-D133 IonicContact NE-OD1 2.69Å; R37-D133 PolarHBondContact NE-OD1 2.81Å; R37-D133 IonicContact NE-OD2 3.93Å; R37-D133 PolarHBondContact NE-OD2 2.88Å; R37-D133 IonicContact NH2-OD1 3.36Å; R37-D133 PolarHBondContact NH2-OD1 2.73Å; R37-D133 IonicContact NH2-OD2 3.12Å; G40-D133 WeakPolarHBondContact CA-OD2 3.37Å; N130-D133 HydrophobicContact CB-CB 4.05Å; N130-D133 PolarHBondContact O-N 3.13Å; D133-W135 PolarHBondContact O-N 2.95Å; D133-W135 VanDerWaalsContact O-N 3.12Å
134	T	85.8	Confident	84.9	Confident	144 Å²	144	65.1 Å²	65.1	88%	0.883	37%	0.366	S	S	*	.			trans	-73.8	6.7	176.7	53.3	0	0	0	0	113.2	S132	S132-T134 PolarHBondContact O-N 2.86Å
135	W	85.4	Confident	82.3	Confident	60 Å²	60	68 Å²	68	23%	0.227	39%	0.388	C	S	.	.			trans	-121.6	129.1	-154.7	-165.7	-75.4	0	0	0	113.5	D133 N137 S138 I140 E142	D133-W135 PolarHBondContact O-N 2.95Å; D133-W135 VanDerWaalsContact O-N 3.12Å; W135-N137 PolarHBondContact NE1-O 3.15Å; W135-S138 VanDerWaalsContact CD1-CA 3.45Å; W135-I140 VanDerWaalsContact CZ2-O 3.28Å; W135-I140 WeakPolarHBondContact CZ2-O 3.12Å; W135-I140 PolarHBondContact NE1-O 2.95Å; W135-E142 HydrophobicContact CH2-CB 3.61Å; W135-E142 HydrophobicContact CH2-CG 4.15Å; W135-E142 VanDerWaalsContact CH2-N 3.26Å; W135-E142 HydrophobicContact CZ2-CB 3.68Å; W135-E142 HydrophobicContact CZ2-CG 3.72Å
136	T	86.9	Confident	80	Confident	65 Å²	65	72 Å²	72	40%	0.399	41%	0.412	S	S	.	.	S	Bend	trans	-64.1	-52.3	-176.9	-61.9	0	0	0	0	113.4	I38 M39	I38-T136 CarbonylContact C-O 3.48Å; I38-T136 WeakPolarHBondContact CA-O 3.32Å; M39-T136 HydrophobicContact CE-CG2 3.88Å; M39-T136 PolarHBondContact N-O 2.92Å; M39-T136 HydrophobicContact SD-CG2 4.43Å
137	N	88.4	Confident	77.7	Confident	38 Å²	38	81.1 Å²	81.1	20%	0.203	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-146.7	94.9	-178.8	174.7	-0.1	0	0	0	110.9	R37 I38 W135 C139 I140	R37-N137 CarbonylContact O-C 3.56Å; I38-N137 HydrophobicContact CG1-CB 4.25Å; W135-N137 PolarHBondContact NE1-O 3.15Å; N137-C139 PolarHBondContact O-N 2.94Å; N137-C139 WeakPolarHBondContact OD1-CB 3.31Å; N137-C139 PolarHBondContact OD1-N 3.44Å; N137-C139 VanDerWaalsContact OD1-N 3.09Å; N137-C139 PolarHBondContact OD1-SG 2.84Å; N137-I140 PolarHBondContact O-N 2.71Å; N137-I140 VanDerWaalsContact O-N 3.07Å; N137-I140 VanDerWaalsContact O-O 3.05Å
138	S	86.1	Confident	75	Confident	39 Å²	39	86.1 Å²	86.1	27%	0.273	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	0.6	-173.7	-29.3	0	0	0	0	113.5	C36 R37 W135	C36-S138 VanDerWaalsContact CB-C 3.44Å; R37-S138 PolarHBondContact O-N 2.8Å; R37-S138 PolarHBondContact O-OG 2.94Å; W135-S138 VanDerWaalsContact CD1-CA 3.45Å
139	C	82.5	Confident	72.8	Confident	64 Å²	64	92 Å²	92	43%	0.432	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19	170.7	-44.1	0	0	0	0	111.2	C36 N137	C36-C139 VanDerWaalsContact CB-CA 3.46Å; C36-C139 HydrophobicContact CB-CB 3.7Å; C36-C139 WeakPolarHBondContact CB-SG 3.24Å; C36-C139 VanDerWaalsContact SG-CA 3.57Å; C36-C139 WeakPolarHBondContact SG-CB 3.12Å; C36-C139 CovalentContact SG-SG 2.03Å; C36-C139 PolarHBondContact SG-SG 3.12Å; N137-C139 PolarHBondContact O-N 2.94Å; N137-C139 WeakPolarHBondContact OD1-CB 3.31Å; N137-C139 PolarHBondContact OD1-N 3.44Å; N137-C139 VanDerWaalsContact OD1-N 3.09Å; N137-C139 PolarHBondContact OD1-SG 2.84Å
140	I	76.8	Confident	69.9	Low	107 Å²	107	96.6 Å²	96.6	55%	0.549	54%	0.543	S	S	.	.	S	Bend	trans	-129.6	107.5	-178.5	-54.6	175.9	0	0	0	107.8	W135 N137 E142	W135-I140 VanDerWaalsContact CZ2-O 3.28Å; W135-I140 WeakPolarHBondContact CZ2-O 3.12Å; W135-I140 PolarHBondContact NE1-O 2.95Å; N137-I140 PolarHBondContact O-N 2.71Å; N137-I140 VanDerWaalsContact O-N 3.07Å; N137-I140 VanDerWaalsContact O-O 3.05Å; I140-E142 PolarHBondContact O-N 3.21Å
141	P	64.4	Low	67	Low	102 Å²	102	104.5 Å²	104.5	66%	0.662	58%	0.577	S	S	*	*			trans	-69.4	110.3	166.6	28.2	-31.4	0	0	0	109.2	I143	P141-I143 PolarHBondContact O-N 3.42Å
142	E	60.2	Low	64.3	Low	116 Å²	116	107.7 Å²	107.7	54%	0.542	59%	0.587	S	S	.	*			trans	-58.8	117.4	163.7	-65.8	167	-155.9	0	0	105.6	W135 I140 I144	W135-E142 HydrophobicContact CH2-CB 3.61Å; W135-E142 HydrophobicContact CH2-CG 4.15Å; W135-E142 VanDerWaalsContact CH2-N 3.26Å; W135-E142 HydrophobicContact CZ2-CB 3.68Å; W135-E142 HydrophobicContact CZ2-CG 3.72Å; I140-E142 PolarHBondContact O-N 3.21Å; E142-I144 PolarHBondContact O-N 2.7Å
143	I	57.7	Low	61.4	Low	151 Å²	151	109.8 Å²	109.8	77%	0.774	60%	0.595	S	S	*	*			trans	-71.9	91	175.2	-54.1	172.1	0	0	0	105.7	P141 T145	P141-I143 PolarHBondContact O-N 3.42Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.39Å; I143-T145 PolarHBondContact O-OG1 2.93Å; I143-T145 VanDerWaalsContact O-OG1 3.07Å
144	I	53.8	Low	59.1	Low	125 Å²	125	116.2 Å²	116.2	64%	0.641	63%	0.625	S	S	*	*			trans	-59.1	97.1	179	-54.1	-179.7	0	0	0	106.9	E142 T146	E142-I144 PolarHBondContact O-N 2.7Å; I144-T146 PolarHBondContact O-N 3.19Å
145	T	42.4	Very low	56.6	Low	110 Å²	110	116.7 Å²	116.7	68%	0.675	62%	0.621	S	S	*	*			trans	-81.5	70.4	179.4	-56.7	0	0	0	0	106.9	I143 K147	I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.39Å; I143-T145 PolarHBondContact O-OG1 2.93Å; I143-T145 VanDerWaalsContact O-OG1 3.07Å; T145-K147 PolarHBondContact O-N 2.92Å
146	T	47.7	Very low	54	Low	88 Å²	88	118.7 Å²	118.7	54%	0.54	65%	0.651	S	S	.	*			trans	-62.6	103.7	174.1	-35.7	0	0	0	0	107.2	I144 D148	I144-T146 PolarHBondContact O-N 3.19Å; T146-D148 VanDerWaalsContact CG2-CG 3.49Å; T146-D148 WeakPolarHBondContact CG2-OD1 3.36Å; T146-D148 WeakPolarHBondContact CG2-OD2 3.49Å; T146-D148 PolarHBondContact O-N 3.43Å
147	K	49.3	Very low	51.3	Low	192 Å²	192	121.4 Å²	121.4	84%	0.835	67%	0.668	S	S	*	*			trans	-76.4	62.4	170.1	-73.8	-171.6	175.4	-177.9	0	109.4	T145 P149	T145-K147 PolarHBondContact O-N 2.92Å; K147-P149 WeakPolarHBondContact O-CD 3.47Å
148	D	41.6	Very low	48.8	Very low	105 Å²	105	128.6 Å²	128.6	56%	0.561	70%	0.7	S	S	*	*			trans	-67	124.4	168.2	-72.2	-42.3	0	0	0	108.4	T146 I150	T146-D148 VanDerWaalsContact CG2-CG 3.49Å; T146-D148 WeakPolarHBondContact CG2-OD1 3.36Å; T146-D148 WeakPolarHBondContact CG2-OD2 3.49Å; T146-D148 PolarHBondContact O-N 3.43Å; D148-I150 HydrophobicContact CB-CG1 4.16Å; D148-I150 PolarHBondContact O-N 3.06Å
149	P	49.3	Very low	46.1	Very low	123 Å²	123	132 Å²	132	80%	0.799	72%	0.719	S	S	*	*			trans	-77.5	75.1	177.1	32.3	-34.2	0	0	0	109.4	K147 F151	K147-P149 WeakPolarHBondContact O-CD 3.47Å; P149-F151 PolarHBondContact O-N 3.49Å
150	I	36.5	Very low	43.8	Very low	150 Å²	150	135.6 Å²	135.6	77%	0.769	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-65.3	131.8	-179.3	-63.1	-178.9	0	0	0	110.1	D148	D148-I150 HydrophobicContact CB-CG1 4.16Å; D148-I150 PolarHBondContact O-N 3.06Å
151	F	35.7	Very low	41.8	Very low	195 Å²	195	138.4 Å²	138.4	86%	0.855	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-52.5	145.2	178.2	-103.6	-126.4	0	0	0	113.5	P149 T153	P149-F151 PolarHBondContact O-N 3.49Å; F151-T153 PolarHBondContact O-N 3.02Å
152	N	38.1	Very low	40.2	Very low	157 Å²	157	142.5 Å²	142.5	84%	0.84	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.7	165.2	-75.7	-26.3	0	0	0	111.1
153	T	31.5	Very low	38.8	Very low	142 Å²	142	142.7 Å²	142.7	87%	0.871	76%	0.761	S	S	*	*			trans	-151.3	151.6	148.4	-71.2	0	0	0	0	108.3	F151	F151-T153 PolarHBondContact O-N 3.02Å
154	Q	41.3	Very low	37.6	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	76%	0.762	S	S	*	*			trans	-92.5	156.5	-158.6	-65.5	166.5	-41.2	0	0	114.6
155	N	33.5	Very low	36.6	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	77%	0.769	S	S	*	*			trans	52.1	103.2	147.4	-60.9	-1.2	0	0	0	119.6
156	A	30.1	Very low	36	Very low	103 Å²	103	141.9 Å²	141.9	85%	0.851	77%	0.769	S	S	*	*			trans	-144.5	106.5	137.7	0	0	0	0	0	109.8
157	T	30.8	Very low	35.3	Very low	122 Å²	122	142.5 Å²	142.5	75%	0.748	78%	0.777	S	S	*	*			trans	-76.7	126.7	174.3	-50.3	0	0	0	0	109.6
158	H	35	Very low	34.4	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.875	77%	0.766	S	S	*	*			trans	-147.5	111.8	154.4	-109.6	-73.3	0	0	0	111.9
159	T	29	Very low	34.1	Very low	109 Å²	109	144 Å²	144	67%	0.669	78%	0.782	S	S	*	*			trans	-78	130.4	175.2	-52.8	0	0	0	0	110.7	E161	T159-E161 HydrophobicContact CG2-CG 4.29Å
160	T	34	Very low	33.3	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	78%	0.779	S	S	*	*			trans	-141.5	116.4	150.8	-54.4	0	0	0	0	108.2
161	E	36.7	Very low	33.1	Very low	166 Å²	166	143.1 Å²	143.1	78%	0.776	79%	0.785	S	S	*	*			trans	-83.7	150.4	173.1	-54.6	174.5	133.1	0	0	110.3	T159	T159-E161 HydrophobicContact CG2-CG 4.29Å
162	F	30.1	Very low	33	Very low	187 Å²	187	138 Å²	138	82%	0.82	78%	0.779	S	S	*	*			trans	-154.9	108.6	132.4	-142.1	-108.7	0	0	0	114.5
163	I	30.1	Very low	33	Very low	120 Å²	120	136 Å²	136	62%	0.615	78%	0.778	S	S	*	*			trans	47.7	116.3	146	-57.1	-165.7	0	0	0	119.7
164	V	32.8	Very low	34	Very low	130 Å²	130	134.2 Å²	134.2	79%	0.788	77%	0.769	S	S	*	*			trans	-72.9	135.5	156	172.3	0	0	0	0	110.2	D166	V164-D166 HydrophobicContact CG1-CB 4.41Å
165	S	32.7	Very low	33.4	Very low	113 Å²	113	136 Å²	136	79%	0.79	77%	0.77	S	S	*	*			trans	-111.8	97.3	160.9	-71.1	0	0	0	0	109.8
166	D	30.6	Very low	33.3	Very low	126 Å²	126	134.7 Å²	134.7	67%	0.674	77%	0.772	S	S	*	*			trans	-78.3	160.8	169.4	-163.5	-0.4	0	0	0	110.2	V164	V164-D166 HydrophobicContact CG1-CB 4.41Å
167	S	31.9	Very low	33.4	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	77%	0.768	S	S	*	*			trans	-153	64.6	-178	-75.3	0	0	0	0	112.5	Y169	S167-Y169 PolarHBondContact O-N 2.94Å
168	T	30.4	Very low	33.6	Very low	100 Å²	100	134.2 Å²	134.2	61%	0.613	77%	0.769	S	S	*	*			trans	-61.2	120.1	173.4	-51.7	0	0	0	0	112.6	S170	T168-S170 WeakPolarHBondContact CG2-OG 3.32Å
169	Y	36.2	Very low	34.1	Very low	229 Å²	229	131.1 Å²	131.1	90%	0.898	77%	0.765	S	S	*	*			trans	-114.9	106.4	160.5	-87.2	-80.8	0	0	0	110.2	S167	S167-Y169 PolarHBondContact O-N 2.94Å
170	S	31.9	Very low	34.6	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	77%	0.773	S	S	*	*			trans	-103.6	124.6	178.5	-64.5	0	0	0	0	111.4	T168	T168-S170 WeakPolarHBondContact CG2-OG 3.32Å
171	V	32.9	Very low	34.8	Very low	150 Å²	150	129.5 Å²	129.5	91%	0.909	77%	0.767	S	S	*	*			trans	-134.3	139.1	161.7	-177.2	0	0	0	0	107.3
172	A	34.4	Very low	34.5	Very low	88 Å²	88	127.7 Å²	127.7	73%	0.727	77%	0.768	S	S	*	*			trans	-106.5	148.1	-164.8	0	0	0	0	0	114.1
173	S	37.3	Very low	35	Very low	116 Å²	116	125.5 Å²	125.5	81%	0.811	77%	0.77	S	S	*	*			trans	29.3	151	132.6	-86.2	0	0	0	0	121.2
174	P	51.8	Low	35.3	Very low	104 Å²	104	125.4 Å²	125.4	68%	0.675	78%	0.775	S	S	*	*			cis	-154.1	-178.8	45.8	43.4	-22.7	0	0	0	119.7
175	Y	30.2	Very low	35.9	Very low	206 Å²	206	124.9 Å²	124.9	81%	0.808	77%	0.774	S	S	*	*			trans	62.8	112.7	155.8	-76.6	-67.1	0	0	0	121.9
176	S	30.6	Very low	36.2	Very low	125 Å²	125	124 Å²	124	87%	0.874	77%	0.774	S	S	*	*				-163.5	161.3	122.8	-83.8	0	0	0	0	111
177	T	32.4	Very low	36.8	Very low	122 Å²	122	123.8 Å²	123.8	75%	0.748	78%	0.779	S	S	*	*			trans	-130.7	119.8	-155.1	-47.3	0	0	0	0	114.3
178	A	34.2	Very low	37	Very low	93 Å²	93	123.4 Å²	123.4	77%	0.769	78%	0.782	S	S	*	*			trans	61	175.5	161	0	0	0	0	0	117.3
179	P	45.2	Very low	37.2	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	80%	0.796	S	S	*	*			cis	-116.6	178.7	-16.6	36.9	-22	0	0	0	113.3
180	A	39.7	Very low	37.2	Very low	100 Å²	100	120.3 Å²	120.3	83%	0.826	79%	0.793	S	S	*	*			trans	-92.7	152.4	176.6	0	0	0	0	0	113.2
181	P	39.1	Very low	37.7	Very low	115 Å²	115	120.9 Å²	120.9	75%	0.747	80%	0.797	S	S	*	*			trans	-112.5	120.9	163.6	35.1	-25.1	0	0	0	113.8
182	T	29.8	Very low	38.4	Very low	128 Å²	128	121.1 Å²	121.1	79%	0.785	79%	0.791	S	S	*	*			trans	43.3	112.9	131.4	-45.8	0	0	0	0	120.8
183	T	40.3	Very low	38.7	Very low	142 Å²	142	122.3 Å²	122.3	87%	0.871	79%	0.791	S	S	*	*			trans	-54.1	141.3	161.8	-43.8	0	0	0	0	112.8
184	T	37.5	Very low	39	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	80%	0.796	S	S	*	*			trans	-146	145.9	168.3	-71.1	0	0	0	0	109.6
185	P	45.3	Very low	38.6	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.8	162.3	-164.4	-17.9	33.6	0	0	0	115.5
186	A	38.3	Very low	39	Very low	94 Å²	94	135 Å²	135	78%	0.777	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.6	143.5	173	0	0	0	0	0	112.4
187	P	42.5	Very low	39.5	Very low	121 Å²	121	138 Å²	138	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.5	149.8	174.4	31.4	-35	0	0	0	111.8
188	A	38	Very low	39.8	Very low	94 Å²	94	140 Å²	140	78%	0.777	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.1	138.5	179.8	0	0	0	0	0	112.7	T190	A188-T190 PolarHBondContact O-N 2.94Å
189	S	33.9	Very low	40.4	Very low	128 Å²	128	142.3 Å²	142.3	90%	0.895	81%	0.813	S	S	*	*			trans	-75.7	98.8	177.6	-60.9	0	0	0	0	112.3
190	T	35.1	Very low	40	Very low	136 Å²	136	142.3 Å²	142.3	83%	0.834	81%	0.814	S	S	*	*			trans	-73.7	122.7	170.3	1.5	0	0	0	0	111.2	A188 I192	A188-T190 PolarHBondContact O-N 2.94Å; T190-I192 PolarHBondContact O-N 3.27Å
191	S	43.2	Very low	40.4	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	81%	0.811	S	S	*	*			trans	-79.8	113.4	-178	42.8	0	0	0	0	112.4
192	I	48.4	Very low	40.2	Very low	155 Å²	155	145.6 Å²	145.6	80%	0.795	82%	0.815	S	S	*	*			trans	-80.8	123	174.8	-57.3	176.6	0	0	0	109.6	T190 R194	T190-I192 PolarHBondContact O-N 3.27Å; I192-R194 PolarHBondContact O-N 3Å
193	P	40.8	Very low	40.7	Very low	113 Å²	113	148.2 Å²	148.2	73%	0.734	82%	0.818	S	S	*	*			trans	-70	118	178.2	27.3	-33.4	0	0	0	111.2	R195	P193-R195 PolarHBondContact O-N 2.98Å; P193-R195 VanDerWaalsContact O-N 3.11Å
194	R	41.7	Very low	40.5	Very low	243 Å²	243	147.7 Å²	147.7	92%	0.917	82%	0.815	S	S	*	*			trans	-66.6	105.9	177.2	-69.6	179.6	176	172.6	-2	110.9	I192 K196	I192-R194 PolarHBondContact O-N 3Å; R194-K196 PolarHBondContact O-N 3.39Å; R194-K196 VanDerWaalsContact O-N 3.12Å
195	R	44.3	Very low	40.4	Very low	249 Å²	249	150.4 Å²	150.4	94%	0.94	82%	0.817	S	S	*	*			trans	-65.6	108.3	165.3	-71	-171.3	178	-162.6	-0.8	109.4	P193	P193-R195 PolarHBondContact O-N 2.98Å; P193-R195 VanDerWaalsContact O-N 3.11Å
196	K	39	Very low	40	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	82%	0.817	S	S	*	*			trans	-68.8	136.7	167.6	-64.8	179.4	-178.8	176.9	0	108.7	R194	R194-K196 PolarHBondContact O-N 3.39Å; R194-K196 VanDerWaalsContact O-N 3.12Å
197	K	40.9	Very low	39.8	Very low	189 Å²	189	155.7 Å²	155.7	82%	0.822	82%	0.817	S	S	*	*			trans	-118.4	106.5	169.6	-170.9	178.4	-177.4	-177	0	107.9
198	L	39.2	Very low	39.2	Very low	164 Å²	164	155.8 Å²	155.8	86%	0.859	82%	0.816	S	S	*	*			trans	-74.6	143.8	174	-76.2	156.6	0	0	0	109.6
199	I	46.4	Very low	39.2	Very low	142 Å²	142	157.1 Å²	157.1	73%	0.728	82%	0.82	S	S	*	*			trans	-133.6	117.9	172.3	-59.1	176.6	0	0	0	105.3
200	C	36.6	Very low	39	Very low	124 Å²	124	156.7 Å²	156.7	84%	0.838	81%	0.812	S	S	*	*			trans	-90.9	139	177	-61	0	0	0	0	109.7
201	I	48.3	Very low	38.6	Very low	146 Å²	146	158.4 Å²	158.4	75%	0.749	81%	0.812	S	S	*	*			trans	-113.2	132.7	172.7	-61.1	174.5	0	0	0	106.6
202	T	35.5	Very low	38	Very low	137 Å²	137	157 Å²	157	84%	0.84	80%	0.802	S	S	*	*			trans	-83.2	110.2	171.5	44.3	0	0	0	0	110
203	E	40.2	Very low	37	Very low	183 Å²	183	155.9 Å²	155.9	86%	0.855	80%	0.803	S	S	*	*			trans	-88	145.8	161.2	-64.3	-168.3	152.2	0	0	109.9
204	V	35.2	Very low	36.5	Very low	131 Å²	131	158.6 Å²	158.6	79%	0.794	81%	0.806	S	S	*	*			trans	-114.6	110.6	175.4	177.7	0	0	0	0	107.7
205	F	35.5	Very low	35.8	Very low	174 Å²	174	152.5 Å²	152.5	76%	0.763	80%	0.796	S	S	*	*			trans	-96.7	129.7	176.6	-152.2	-103.4	0	0	0	109.3	E207	F205-E207 HydrophobicContact CD1-CG 3.9Å; F205-E207 HydrophobicContact CE1-CG 3.64Å
206	M	36.6	Very low	35.5	Very low	159 Å²	159	147.8 Å²	147.8	78%	0.783	78%	0.784	S	S	*	*			trans	-126.9	112.7	171.6	-73.9	-139.1	72	0	0	109.5
207	E	33.8	Very low	35.3	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	78%	0.779	S	S	*	*			trans	-79.9	148.7	169.6	-64.8	-167.4	141.3	0	0	110.9	F205	F205-E207 HydrophobicContact CD1-CG 3.9Å; F205-E207 HydrophobicContact CE1-CG 3.64Å
208	T	30.4	Very low	34.5	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	78%	0.775	S	S	*	*			trans	-114.4	130.5	-174.4	-65.1	0	0	0	0	110	T210	T208-T210 WeakPolarHBondContact CG2-OG1 3.19Å
209	S	38.6	Very low	34	Very low	123 Å²	123	140.3 Å²	140.3	86%	0.86	77%	0.766	S	S	*	*			trans	-132.1	142	163.6	58.2	0	0	0	0	109.8
210	T	29.1	Very low	33.1	Very low	119 Å²	119	140.3 Å²	140.3	73%	0.73	76%	0.763	S	S	*	*			trans	-143.2	154.9	-161.1	-49.3	0	0	0	0	111.6	T208	T208-T210 WeakPolarHBondContact CG2-OG1 3.19Å
211	M	27.8	Very low	32.9	Very low	171 Å²	171	141.1 Å²	141.1	84%	0.842	76%	0.759	S	S	*	*			trans	98.2	136.4	178.3	-59.9	-162.3	80.3	0	0	115
212	S	28.8	Very low	32.1	Very low	86 Å²	86	144.1 Å²	144.1	60%	0.601	77%	0.767	S	S	*	*			cis	-164.3	146.8	-9	40.9	0	0	0	0	112.7
213	T	27.6	Very low	32.1	Very low	131 Å²	131	141.9 Å²	141.9	80%	0.804	76%	0.762	S	S	*	*			trans	21.6	133.6	147	3.1	0	0	0	0	119
214	E	31.1	Very low	31.8	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	76%	0.758	S	S	*	*			cis	-153.2	175.2	38.2	-126.9	-166.9	-91.9	0	0	110.1
215	T	27	Very low	31.8	Very low	115 Å²	115	140.3 Å²	140.3	71%	0.706	76%	0.76	S	S	*	*			cis	-150.6	-164.8	9.6	-162.1	0	0	0	0	112.2
216	E	37.4	Very low	31.9	Very low	150 Å²	150	142.3 Å²	142.3	70%	0.701	77%	0.768	S	S	*	*			trans	-116.2	159.6	-171.5	-100.6	-81.6	137.2	0	0	111.8	F218	E216-F218 PolarHBondContact OE2-N 3.42Å
217	P	34.4	Very low	31.9	Very low	116 Å²	116	141 Å²	141	75%	0.753	76%	0.764	S	S	*	*				-149.9	150.5	72.1	39.6	-19.7	0	0	0	119.9
218	F	25.1	Very low	32.2	Very low	170 Å²	170	141.7 Å²	141.7	75%	0.746	77%	0.767	S	S	*	*			trans	80	127.7	148	-129.2	-137.1	0	0	0	115.3	E216	E216-F218 PolarHBondContact OE2-N 3.42Å
219	V	28.6	Very low	32.8	Very low	110 Å²	110	140.4 Å²	140.4	67%	0.667	77%	0.769	S	S	*	*			cis	-154.2	154	11.9	176.5	0	0	0	0	108.2
220	E	26.6	Very low	33.1	Very low	143 Å²	143	138.4 Å²	138.4	67%	0.668	76%	0.76	S	S	*	*			cis	-162.7	120.3	-35.1	-179.9	176.3	168.2	0	0	108.3
221	N	32.6	Very low	34.1	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	77%	0.766	S	S	*	*			trans	18.4	129.6	154.9	-60.8	-59.8	0	0	0	121.9
222	K	31.5	Very low	35	Very low	210 Å²	210	135 Å²	135	91%	0.913	75%	0.754	S	S	*	*				-147.2	95.2	113.6	-159.9	157.3	-170.8	164.9	0	114
223	A	36.4	Very low	36.1	Very low	89 Å²	89	135 Å²	135	74%	0.736	77%	0.768	S	S	*	*			trans	-78.5	154.5	164.9	0	0	0	0	0	111.6
224	A	34.6	Very low	37.3	Very low	95 Å²	95	130.4 Å²	130.4	79%	0.785	75%	0.747	S	S	*	*			trans	-159.9	127.1	154.7	0	0	0	0	0	110.8
225	F	35.2	Very low	38.5	Very low	187 Å²	187	125.5 Å²	125.5	82%	0.82	73%	0.728	S	S	*	*			trans	-59.3	137.6	160.5	-83.6	-122.1	0	0	0	109	N227	F225-N227 VanDerWaalsContact C-N 3.26Å; F225-N227 PolarHBondContact O-N 3.26Å
226	K	36.5	Very low	40.6	Very low	215 Å²	215	123.2 Å²	123.2	94%	0.935	72%	0.716	S	S	*	*			trans	-75.4	88.6	156.8	-89	-172.4	174.7	179.1	0	108
227	N	36.7	Very low	42.2	Very low	132 Å²	132	120.7 Å²	120.7	71%	0.706	71%	0.71	S	S	*	*			trans	-57.5	152.7	166.6	-63.6	-37.9	0	0	0	110.1	F225 A229	F225-N227 VanDerWaalsContact C-N 3.26Å; F225-N227 PolarHBondContact O-N 3.26Å; N227-A229 PolarHBondContact O-N 2.96Å
228	E	40	Very low	44.2	Very low	180 Å²	180	118 Å²	118	84%	0.841	70%	0.698	S	S	*	*			trans	-42.5	125.5	163.3	-81.5	-60.6	138.9	0	0	110.8	A230	E228-A230 PolarHBondContact O-N 3.29Å
229	A	43.1	Very low	46.9	Very low	97 Å²	97	114.8 Å²	114.8	80%	0.802	69%	0.688	S	S	*	*			trans	-79.1	56.1	179	0	0	0	0	0	110.7	N227 G231	N227-A229 PolarHBondContact O-N 2.96Å; A229-G231 PolarHBondContact O-N 3.43Å
230	A	45.8	Very low	49.4	Very low	81 Å²	81	114.9 Å²	114.9	67%	0.669	68%	0.684	S	S	*	*			trans	-49.4	124.6	170.3	0	0	0	0	0	108.8	E228 F232	E228-A230 PolarHBondContact O-N 3.29Å; A230-F232 VanDerWaalsContact C-N 3.33Å; A230-F232 PolarHBondContact O-N 3.43Å
231	G	50.1	Low	52	Low	83 Å²	83	111.3 Å²	111.3	86%	0.856	67%	0.672	S	S	*	*			trans	-66.9	79.7	-162.9	0	0	0	0	0	114.5	A229 G233	A229-G231 PolarHBondContact O-N 3.43Å; G231-G233 PolarHBondContact O-N 3.04Å
232	F	45.3	Very low	54.4	Low	134 Å²	134	108.7 Å²	108.7	59%	0.588	66%	0.658	S	S	*	*			trans	-74.6	32.8	179.7	-152.3	-113.2	0	0	0	112.9	A230 G234 V235 P236	A230-F232 VanDerWaalsContact C-N 3.33Å; A230-F232 PolarHBondContact O-N 3.43Å; F232-G234 PolarHBondContact O-N 3.04Å; F232-V235 HydrophobicContact CD1-CB 4.23Å; F232-V235 HydrophobicContact CD2-CB 4.28Å; F232-V235 HydrophobicContact CD2-CG2 4.33Å; F232-V235 HydrophobicContact CE1-CB 3.76Å; F232-V235 HydrophobicContact CE1-CG1 3.96Å; F232-V235 HydrophobicContact CE2-CB 3.81Å; F232-V235 HydrophobicContact CE2-CG1 3.98Å; F232-V235 HydrophobicContact CE2-CG2 4.01Å; F232-V235 HydrophobicContact CG-CB 4.48Å; F232-V235 HydrophobicContact CZ-CB 3.53Å; F232-V235 HydrophobicContact CZ-CG1 3.43Å; F232-V235 VanDerWaalsContact CZ-CG1 3.43Å; F232-V235 HydrophobicContact CZ-CG2 4.24Å; F232-P236 HydrophobicContact CD1-CG 3.56Å; F232-P236 HydrophobicContact CE1-CG 3.7Å; F232-P236 VanDerWaalsContact O-CD 3.28Å; F232-P236 WeakPolarHBondContact O-CD 3.5Å
233	G	51.7	Low	56.9	Low	86 Å²	86	100.5 Å²	100.5	89%	0.887	63%	0.63	S	S	*	*			trans	-77.7	41.2	-168.2	0	0	0	0	0	115.4	G231	G231-G233 PolarHBondContact O-N 3.04Å
234	G	53.9	Low	59.2	Low	36 Å²	36	101 Å²	101	37%	0.371	62%	0.619	S	S	.	*	S	Bend	trans	-174.9	-31.6	176.3	0	0	0	0	0	115.1	F232 T237 A238	F232-G234 PolarHBondContact O-N 3.04Å; G234-T237 PolarHBondContact O-N 3.34Å; G234-A238 WeakPolarHBondContact O-CB 3.49Å; G234-A238 PolarHBondContact O-N 2.82Å
235	V	56.4	Low	61.5	Low	66 Å²	66	100.2 Å²	100.2	40%	0.4	60%	0.602	S	S	.	*	H	α-helix	trans	-61.9	-41.1	-176.4	-178.6	0	0	0	0	113.9	F232 T237 A238 L239	F232-V235 HydrophobicContact CD1-CB 4.23Å; F232-V235 HydrophobicContact CD2-CB 4.28Å; F232-V235 HydrophobicContact CD2-CG2 4.33Å; F232-V235 HydrophobicContact CE1-CB 3.76Å; F232-V235 HydrophobicContact CE1-CG1 3.96Å; F232-V235 HydrophobicContact CE2-CB 3.81Å; F232-V235 HydrophobicContact CE2-CG1 3.98Å; F232-V235 HydrophobicContact CE2-CG2 4.01Å; F232-V235 HydrophobicContact CG-CB 4.48Å; F232-V235 HydrophobicContact CZ-CB 3.53Å; F232-V235 HydrophobicContact CZ-CG1 3.43Å; F232-V235 VanDerWaalsContact CZ-CG1 3.43Å; F232-V235 HydrophobicContact CZ-CG2 4.24Å; V235-T237 PolarHBondContact O-N 2.67Å; V235-A238 PolarHBondContact O-N 3.47Å; V235-L239 HydrophobicContact CG1-CD1 3.81Å; V235-L239 HydrophobicContact CG1-CG 4.19Å; V235-L239 WeakPolarHBondContact O-CB 3.17Å; V235-L239 VanDerWaalsContact O-CG 3.31Å; V235-L239 WeakPolarHBondContact O-CG 3.38Å; V235-L239 PolarHBondContact O-N 2.76Å
236	P	70.8	Confident	64.1	Low	67 Å²	67	98 Å²	98	44%	0.435	59%	0.592	S	S	.	*	H	α-helix	trans	-61.1	-46.5	177.9	-20.1	31.3	0	0	0	111.7	F232 L239 L240	F232-P236 HydrophobicContact CD1-CG 3.56Å; F232-P236 HydrophobicContact CE1-CG 3.7Å; F232-P236 VanDerWaalsContact O-CD 3.28Å; F232-P236 WeakPolarHBondContact O-CD 3.5Å; P236-L239 PolarHBondContact O-N 3.27Å; P236-L240 WeakPolarHBondContact O-CB 3.45Å; P236-L240 PolarHBondContact O-N 3.11Å
237	T	71.6	Confident	66.4	Low	97 Å²	97	95 Å²	95	60%	0.595	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-41.6	-179.3	-39.9	0	0	0	0	111.3	G234 V235 L240 V241	G234-T237 PolarHBondContact O-N 3.34Å; V235-T237 PolarHBondContact O-N 2.67Å; T237-L240 PolarHBondContact O-N 2.86Å; T237-V241 WeakPolarHBondContact O-CG2 3.3Å; T237-V241 PolarHBondContact O-N 2.76Å
238	A	75.9	Confident	68.7	Low	60 Å²	60	90.1 Å²	90.1	50%	0.496	56%	0.56	S	S	.	*	H	α-helix	trans	-61.9	-43.6	175.4	0	0	0	0	0	111.9	G234 V235 V241 L242	G234-A238 WeakPolarHBondContact O-CB 3.49Å; G234-A238 PolarHBondContact O-N 2.82Å; V235-A238 PolarHBondContact O-N 3.47Å; A238-V241 PolarHBondContact O-N 2.77Å; A238-L242 VanDerWaalsContact O-CB 3.24Å; A238-L242 WeakPolarHBondContact O-CB 3.44Å; A238-L242 PolarHBondContact O-N 2.88Å
239	L	81.5	Confident	70.7	Confident	103 Å²	103	83.5 Å²	83.5	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-66.5	-37.5	175.5	-70.8	173.6	0	0	0	112.4	V235 P236 L242 A243	V235-L239 HydrophobicContact CG1-CD1 3.81Å; V235-L239 HydrophobicContact CG1-CG 4.19Å; V235-L239 WeakPolarHBondContact O-CB 3.17Å; V235-L239 VanDerWaalsContact O-CG 3.31Å; V235-L239 WeakPolarHBondContact O-CG 3.38Å; V235-L239 PolarHBondContact O-N 2.76Å; P236-L239 PolarHBondContact O-N 3.27Å; L239-L242 PolarHBondContact O-N 3.3Å; L239-A243 WeakPolarHBondContact O-CB 3.37Å; L239-A243 PolarHBondContact O-N 3.32Å
240	L	80.2	Confident	72.8	Confident	111 Å²	111	81.7 Å²	81.7	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-65.7	-45	176.4	-132.9	173.3	0	0	0	111.4	P236 T237 A243 L244	P236-L240 WeakPolarHBondContact O-CB 3.45Å; P236-L240 PolarHBondContact O-N 3.11Å; T237-L240 PolarHBondContact O-N 2.86Å; L240-A243 PolarHBondContact O-N 2.91Å; L240-L244 HydrophobicContact CD2-CD1 4Å; L240-L244 HydrophobicContact CD2-CG 4.19Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.21Å; L240-L244 PolarHBondContact O-N 3.49Å
241	V	83.1	Confident	74.7	Confident	68 Å²	68	81.1 Å²	81.1	41%	0.412	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-44.4	173.7	170.7	0	0	0	0	110.8	T237 A238 A243 L244 L245	T237-V241 WeakPolarHBondContact O-CG2 3.3Å; T237-V241 PolarHBondContact O-N 2.76Å; A238-V241 PolarHBondContact O-N 2.77Å; V241-A243 PolarHBondContact O-N 3.02Å; V241-L244 PolarHBondContact O-N 3.28Å; V241-L245 HydrophobicContact CG1-CD1 4.1Å; V241-L245 HydrophobicContact CG1-CG 4.5Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.04Å; V241-L245 PolarHBondContact O-N 2.84Å
242	L	82	Confident	76.3	Confident	85 Å²	85	77.9 Å²	77.9	45%	0.445	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.7	-172.3	67.2	0	0	0	111.9	A238 L239 L245 F246	A238-L242 VanDerWaalsContact O-CB 3.24Å; A238-L242 WeakPolarHBondContact O-CB 3.44Å; A238-L242 PolarHBondContact O-N 2.88Å; L239-L242 PolarHBondContact O-N 3.3Å; L242-L245 PolarHBondContact O-N 2.95Å; L242-F246 HydrophobicContact CD1-CD2 4.33Å; L242-F246 HydrophobicContact CD1-CE2 3.88Å; L242-F246 HydrophobicContact CD2-CE2 4.22Å; L242-F246 HydrophobicContact CG-CD2 3.98Å; L242-F246 HydrophobicContact CG-CE2 3.74Å; L242-F246 VanDerWaalsContact O-CD2 3.24Å; L242-F246 WeakPolarHBondContact O-CD2 3.4Å; L242-F246 PolarHBondContact O-N 2.88Å
243	A	83.8	Confident	78.1	Confident	39 Å²	39	76.9 Å²	76.9	32%	0.322	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.3	0	0	0	0	0	111.9	L239 L240 V241 L245 F246 F247	L239-A243 WeakPolarHBondContact O-CB 3.37Å; L239-A243 PolarHBondContact O-N 3.32Å; L240-A243 PolarHBondContact O-N 2.91Å; V241-A243 PolarHBondContact O-N 3.02Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-L245 PolarHBondContact O-N 2.89Å; A243-F246 PolarHBondContact O-N 2.89Å; A243-F247 WeakPolarHBondContact O-CD2 3.28Å; A243-F247 PolarHBondContact O-N 3.42Å
244	L	84.4	Confident	79.8	Confident	100 Å²	100	74.5 Å²	74.5	52%	0.524	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-37.7	175.9	-71.4	170.4	0	0	0	112.2	L240 V241 G248	L240-L244 HydrophobicContact CD2-CD1 4Å; L240-L244 HydrophobicContact CD2-CG 4.19Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.21Å; L240-L244 PolarHBondContact O-N 3.49Å; V241-L244 PolarHBondContact O-N 3.28Å; L244-G248 PolarHBondContact O-N 3.48Å
245	L	83.6	Confident	81.2	Confident	78 Å²	78	79.3 Å²	79.3	41%	0.408	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-43.5	172.8	-70.5	170.4	0	0	0	111.9	V12 V241 L242 A243 G248 A249	V12-L245 HydrophobicContact CG1-CD2 3.5Å; V241-L245 HydrophobicContact CG1-CD1 4.1Å; V241-L245 HydrophobicContact CG1-CG 4.5Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.04Å; V241-L245 PolarHBondContact O-N 2.84Å; L242-L245 PolarHBondContact O-N 2.95Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-L245 PolarHBondContact O-N 2.89Å; L245-G248 PolarHBondContact O-N 3.13Å; L245-A249 WeakPolarHBondContact O-CB 3.19Å; L245-A249 PolarHBondContact O-N 3.08Å
246	F	89.6	Confident	82.2	Confident	140 Å²	140	77.7 Å²	77.7	61%	0.614	46%	0.461	S	S	*	.	H	α-helix	trans	-63.7	-45.4	175.5	-84	-63.7	0	0	0	112.6	L242 A243 A249 A250	L242-F246 HydrophobicContact CD1-CD2 4.33Å; L242-F246 HydrophobicContact CD1-CE2 3.88Å; L242-F246 HydrophobicContact CD2-CE2 4.22Å; L242-F246 HydrophobicContact CG-CD2 3.98Å; L242-F246 HydrophobicContact CG-CE2 3.74Å; L242-F246 VanDerWaalsContact O-CD2 3.24Å; L242-F246 WeakPolarHBondContact O-CD2 3.4Å; L242-F246 PolarHBondContact O-N 2.88Å; A243-F246 PolarHBondContact O-N 2.89Å; F246-A249 PolarHBondContact O-N 3.43Å; F246-A250 WeakPolarHBondContact O-CB 3.49Å; F246-A250 PolarHBondContact O-N 3.27Å
247	F	86.1	Confident	82.7	Confident	151 Å²	151	81.1 Å²	81.1	66%	0.662	47%	0.466	S	S	*	.	H	α-helix	trans	-64	-41.5	176.2	-76	-62.7	0	0	0	112.2	A243 A250 A251	A243-F247 WeakPolarHBondContact O-CD2 3.28Å; A243-F247 PolarHBondContact O-N 3.42Å; F247-A250 PolarHBondContact O-N 3.21Å; F247-A251 WeakPolarHBondContact O-CB 3.19Å; F247-A251 PolarHBondContact O-N 2.83Å
248	G	84.3	Confident	83.2	Confident	31 Å²	31	80.7 Å²	80.7	32%	0.32	46%	0.464	S	S	.	.	H	α-helix	trans	-61.9	-42	174.5	0	0	0	0	0	112.8	L244 L245 G252	L244-G248 PolarHBondContact O-N 3.48Å; L245-G248 PolarHBondContact O-N 3.13Å; G248-G252 PolarHBondContact O-N 3.5Å
249	A	82.8	Confident	83.2	Confident	40 Å²	40	83.7 Å²	83.7	33%	0.331	47%	0.466	S	S	.	.	H	α-helix	trans	-65.1	-44.5	174.8	0	0	0	0	0	112.1	L245 F246 G252 L253	L245-A249 WeakPolarHBondContact O-CB 3.19Å; L245-A249 PolarHBondContact O-N 3.08Å; F246-A249 PolarHBondContact O-N 3.43Å; A249-G252 PolarHBondContact O-N 2.83Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 VanDerWaalsContact O-CG 3.29Å; A249-L253 WeakPolarHBondContact O-CG 3.19Å; A249-L253 PolarHBondContact O-N 3.12Å
250	A	86.1	Confident	82.5	Confident	59 Å²	59	86.2 Å²	86.2	49%	0.488	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-46.6	178.3	0	0	0	0	0	112.2	F246 F247 L253 G254	F246-A250 WeakPolarHBondContact O-CB 3.49Å; F246-A250 PolarHBondContact O-N 3.27Å; F247-A250 PolarHBondContact O-N 3.21Å; A250-L253 PolarHBondContact O-N 2.84Å; A250-G254 PolarHBondContact O-N 2.8Å
251	A	85.1	Confident	81.8	Confident	69 Å²	69	86.7 Å²	86.7	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-41.9	175.5	0	0	0	0	0	111.9	F247 G254 F255	F247-A251 WeakPolarHBondContact O-CB 3.19Å; F247-A251 PolarHBondContact O-N 2.83Å; A251-G254 PolarHBondContact O-N 3.48Å; A251-F255 WeakPolarHBondContact O-CB 3.46Å; A251-F255 PolarHBondContact O-N 3.15Å
252	G	85	Confident	81	Confident	16 Å²	16	88.8 Å²	88.8	17%	0.165	48%	0.476	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.4	0	0	0	0	0	112.9	G248 A249 C256	G248-G252 PolarHBondContact O-N 3.5Å; A249-G252 PolarHBondContact O-N 2.83Å; G252-C256 WeakPolarHBondContact O-CB 3.44Å; G252-C256 PolarHBondContact O-N 3.09Å; G252-C256 PolarHBondContact O-SG 2.03Å
253	L	83.4	Confident	79.8	Confident	113 Å²	113	93.6 Å²	93.6	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-64.8	-44.4	174.8	-75	168.9	0	0	0	111.8	A249 A250 C256 Y257	A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 VanDerWaalsContact O-CG 3.29Å; A249-L253 WeakPolarHBondContact O-CG 3.19Å; A249-L253 PolarHBondContact O-N 3.12Å; A250-L253 PolarHBondContact O-N 2.84Å; L253-C256 WeakPolarHBondContact O-CB 3.33Å; L253-C256 PolarHBondContact O-N 3.17Å; L253-Y257 WeakPolarHBondContact O-CB 3.17Å; L253-Y257 PolarHBondContact O-N 3.18Å
254	G	86.2	Confident	78.6	Confident	36 Å²	36	94.8 Å²	94.8	37%	0.371	50%	0.503	S	S	.	.	H	α-helix	trans	-59.3	-47.3	175.8	0	0	0	0	0	112.7	A250 A251 C256 Y257 V258	A250-G254 PolarHBondContact O-N 2.8Å; A251-G254 PolarHBondContact O-N 3.48Å; G254-C256 VanDerWaalsContact C-N 3.34Å; G254-C256 PolarHBondContact O-N 2.88Å; G254-Y257 WeakPolarHBondContact O-CB 3.3Å; G254-Y257 PolarHBondContact O-N 3.34Å; G254-V258 WeakPolarHBondContact O-CG2 3.08Å; G254-V258 PolarHBondContact O-N 3.01Å
255	F	84.4	Confident	76.9	Confident	136 Å²	136	97.9 Å²	97.9	60%	0.596	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-39.5	175.3	-174.5	-102.2	0	0	0	112.3	A251 Y257 K259	A251-F255 WeakPolarHBondContact O-CB 3.46Å; A251-F255 PolarHBondContact O-N 3.15Å; F255-Y257 VanDerWaalsContact C-N 3.34Å; F255-K259 HydrophobicContact CE1-CD 3.98Å; F255-K259 HydrophobicContact CZ-CD 4.28Å; F255-K259 WeakPolarHBondContact O-CB 3.33Å; F255-K259 PolarHBondContact O-N 3.2Å
256	C	77.6	Confident	75.4	Confident	33 Å²	33	99.8 Å²	99.8	22%	0.223	53%	0.53	C	S	.	.	H	α-helix	trans	-63.9	-37.4	173.4	-71.7	0	0	0	0	112.8	C4 G252 L253 G254 R260	C4-C256 WeakPolarHBondContact CB-SG 3.38Å; G252-C256 WeakPolarHBondContact O-CB 3.44Å; G252-C256 PolarHBondContact O-N 3.09Å; G252-C256 PolarHBondContact O-SG 2.03Å; L253-C256 WeakPolarHBondContact O-CB 3.33Å; L253-C256 PolarHBondContact O-N 3.17Å; G254-C256 VanDerWaalsContact C-N 3.34Å; G254-C256 PolarHBondContact O-N 2.88Å; C256-R260 VanDerWaalsContact O-CB 3.26Å; C256-R260 WeakPolarHBondContact O-CB 3.46Å; C256-R260 PolarHBondContact O-N 3.32Å
257	Y	80.9	Confident	73.5	Confident	138 Å²	138	101.9 Å²	101.9	54%	0.541	54%	0.539	S	S	.	.	H	α-helix	trans	-66.6	-54.3	178.6	-174.5	-88	0	0	0	110.5	L253 G254 F255 K259 R260 Y261	L253-Y257 WeakPolarHBondContact O-CB 3.17Å; L253-Y257 PolarHBondContact O-N 3.18Å; G254-Y257 WeakPolarHBondContact O-CB 3.3Å; G254-Y257 PolarHBondContact O-N 3.34Å; F255-Y257 VanDerWaalsContact C-N 3.34Å; Y257-K259 PolarHBondContact O-N 3.16Å; Y257-R260 WeakPolarHBondContact O-CB 3.33Å; Y257-R260 PolarHBondContact O-N 3.08Å; Y257-Y261 AromaticContact CD1-CD2 3.93Å; Y257-Y261 HydrophobicContact CD1-CD2 3.93Å; Y257-Y261 HydrophobicContact CD1-CE2 4.17Å; Y257-Y261 HydrophobicContact CD2-CD2 4.37Å; Y257-Y261 HydrophobicContact CD2-CE2 4.03Å; Y257-Y261 AromaticContact CE1-CD2 3.7Å; Y257-Y261 HydrophobicContact CE1-CD2 3.7Å; Y257-Y261 AromaticContact CE1-CE2 3.62Å; Y257-Y261 HydrophobicContact CE1-CE2 3.62Å; Y257-Y261 HydrophobicContact CE1-CG 4.4Å; Y257-Y261 HydrophobicContact CE2-CD2 4.17Å; Y257-Y261 AromaticContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CE2 3.47Å; Y257-Y261 VanDerWaalsContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CG-CD2 4.25Å; Y257-Y261 HydrophobicContact CG-CE2 4.35Å; Y257-Y261 AromaticContact CZ-CD2 3.84Å; Y257-Y261 AromaticContact CZ-CE2 3.24Å; Y257-Y261 AromaticContact CZ-CZ 3.71Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.46Å; Y257-Y261 PolarHBondContact O-N 2.92Å; Y257-Y261 WeakPolarHBondContact OH-CE2 3Å; Y257-Y261 PolarHBondContact OH-OH 3.07Å
258	V	82	Confident	71.6	Confident	89 Å²	89	100.9 Å²	100.9	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-56.9	-48.6	176.5	175	0	0	0	0	110.9	G254 R260 Y261 V262	G254-V258 WeakPolarHBondContact O-CG2 3.08Å; G254-V258 PolarHBondContact O-N 3.01Å; V258-R260 PolarHBondContact O-N 3.07Å; V258-Y261 PolarHBondContact O-N 2.74Å; V258-V262 HydrophobicContact CG1-CG2 4.26Å; V258-V262 WeakPolarHBondContact O-CG2 3.08Å; V258-V262 PolarHBondContact O-N 2.84Å
259	K	75.1	Confident	69.8	Low	123 Å²	123	105.7 Å²	105.7	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-21.7	179.3	-167.6	166.1	-174.4	167.5	0	113.6	F255 Y257	F255-K259 HydrophobicContact CE1-CD 3.98Å; F255-K259 HydrophobicContact CZ-CD 4.28Å; F255-K259 WeakPolarHBondContact O-CB 3.33Å; F255-K259 PolarHBondContact O-N 3.2Å; Y257-K259 PolarHBondContact O-N 3.16Å
260	R	66.9	Low	67.9	Low	156 Å²	156	112.8 Å²	112.8	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-78.9	-47.3	170.8	-178.4	-180	179.6	178.9	-2.3	111.3	C256 Y257 V258 K263 A264	C256-R260 VanDerWaalsContact O-CB 3.26Å; C256-R260 WeakPolarHBondContact O-CB 3.46Å; C256-R260 PolarHBondContact O-N 3.32Å; Y257-R260 WeakPolarHBondContact O-CB 3.33Å; Y257-R260 PolarHBondContact O-N 3.08Å; V258-R260 PolarHBondContact O-N 3.07Å; R260-K263 CarbonylContact O-C 3.57Å; R260-K263 PolarHBondContact O-N 2.8Å; R260-K263 VanDerWaalsContact O-N 3.14Å; R260-A264 WeakPolarHBondContact O-CB 3.13Å; R260-A264 PolarHBondContact O-N 2.81Å
261	Y	65.4	Low	66.1	Low	121 Å²	121	117.4 Å²	117.4	48%	0.475	60%	0.603	S	S	.	*	H	α-helix	trans	-64	-42.6	179.9	-90.6	-101.6	0	0	0	112.3	Y257 V258 K263 A264 F265	Y257-Y261 AromaticContact CD1-CD2 3.93Å; Y257-Y261 HydrophobicContact CD1-CD2 3.93Å; Y257-Y261 HydrophobicContact CD1-CE2 4.17Å; Y257-Y261 HydrophobicContact CD2-CD2 4.37Å; Y257-Y261 HydrophobicContact CD2-CE2 4.03Å; Y257-Y261 AromaticContact CE1-CD2 3.7Å; Y257-Y261 HydrophobicContact CE1-CD2 3.7Å; Y257-Y261 AromaticContact CE1-CE2 3.62Å; Y257-Y261 HydrophobicContact CE1-CE2 3.62Å; Y257-Y261 HydrophobicContact CE1-CG 4.4Å; Y257-Y261 HydrophobicContact CE2-CD2 4.17Å; Y257-Y261 AromaticContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CE2 3.47Å; Y257-Y261 VanDerWaalsContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CG-CD2 4.25Å; Y257-Y261 HydrophobicContact CG-CE2 4.35Å; Y257-Y261 AromaticContact CZ-CD2 3.84Å; Y257-Y261 AromaticContact CZ-CE2 3.24Å; Y257-Y261 AromaticContact CZ-CZ 3.71Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.46Å; Y257-Y261 PolarHBondContact O-N 2.92Å; Y257-Y261 WeakPolarHBondContact OH-CE2 3Å; Y257-Y261 PolarHBondContact OH-OH 3.07Å; V258-Y261 PolarHBondContact O-N 2.74Å; Y261-K263 PolarHBondContact O-N 3.08Å; Y261-A264 PolarHBondContact O-N 3.15Å; Y261-F265 PolarHBondContact O-N 2.87Å
262	V	66	Low	64.2	Low	112 Å²	112	122.7 Å²	122.7	68%	0.679	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-25.9	174.4	174.7	0	0	0	0	112.4	V258	V258-V262 HydrophobicContact CG1-CG2 4.26Å; V258-V262 WeakPolarHBondContact O-CG2 3.08Å; V258-V262 PolarHBondContact O-N 2.84Å
263	K	57.6	Low	61.9	Low	185 Å²	185	130.4 Å²	130.4	80%	0.804	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-6.1	171.4	-87.9	-156.5	168.7	-159.5	0	114.8	R260 Y261	R260-K263 CarbonylContact O-C 3.57Å; R260-K263 PolarHBondContact O-N 2.8Å; R260-K263 VanDerWaalsContact O-N 3.14Å; Y261-K263 PolarHBondContact O-N 3.08Å
264	A	57.4	Low	60.3	Low	65 Å²	65	134.8 Å²	134.8	54%	0.537	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	-11.7	-179	0	0	0	0	0	113.5	R260 Y261 P266	R260-A264 WeakPolarHBondContact O-CB 3.13Å; R260-A264 PolarHBondContact O-N 2.81Å; Y261-A264 PolarHBondContact O-N 3.15Å; A264-P266 VanDerWaalsContact O-CD 3.29Å; A264-P266 WeakPolarHBondContact O-CD 3.46Å
265	F	50.2	Low	58.1	Low	164 Å²	164	140.9 Å²	140.9	72%	0.719	68%	0.681	S	S	*	*			trans	-108.4	94.8	174.7	-85.6	-85.3	0	0	0	111.4	Y261 F267	Y261-F265 PolarHBondContact O-N 2.87Å; F265-F267 VanDerWaalsContact C-N 3.27Å; F265-F267 PolarHBondContact O-N 2.76Å
266	P	51.6	Low	55.9	Low	119 Å²	119	142.6 Å²	142.6	77%	0.773	69%	0.693	S	S	*	*			trans	-88.2	35.2	-179.7	37.6	-38	0	0	0	113.2	A264	A264-P266 VanDerWaalsContact O-CD 3.29Å; A264-P266 WeakPolarHBondContact O-CD 3.46Å
267	F	49	Very low	54.2	Low	184 Å²	184	148.7 Å²	148.7	81%	0.807	72%	0.722	S	S	*	*			trans	-149.1	85.1	-175.2	-119.8	-76.8	0	0	0	115.7	F265	F265-F267 VanDerWaalsContact C-N 3.27Å; F265-F267 PolarHBondContact O-N 2.76Å
268	T	46.5	Very low	52	Low	129 Å²	129	150 Å²	150	79%	0.791	73%	0.733	S	S	*	*			trans	-151.8	86.1	139.5	39	0	0	0	0	109.4	K270	T268-K270 PolarHBondContact O-N 3.36Å
269	N	45.7	Very low	49.8	Very low	132 Å²	132	151.8 Å²	151.8	71%	0.706	74%	0.744	S	S	*	*			trans	-70.1	115.8	163.1	-178.6	-5.8	0	0	0	108.3	N271	N269-N271 PolarHBondContact OD1-N 2.69Å
270	K	44.7	Very low	47.8	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.826	76%	0.755	S	S	*	*			trans	-128.7	62.1	168.4	-78.9	-163.8	172.6	-171.8	0	110.7	T268	T268-K270 PolarHBondContact O-N 3.36Å
271	N	47.6	Very low	46	Very low	155 Å²	155	153.1 Å²	153.1	83%	0.829	77%	0.765	S	S	*	*	S	Bend	trans	-143.3	32.6	167.1	-105.8	-21	0	0	0	113.7	N269	N269-N271 PolarHBondContact OD1-N 2.69Å
272	Q	44.5	Very low	44.3	Very low	180 Å²	180	153.9 Å²	153.9	84%	0.841	78%	0.782	S	S	*	*			trans	-158.6	75.7	166	-125.8	172	12.4	0	0	114.5
273	Q	36.8	Very low	42.7	Very low	178 Å²	178	156.2 Å²	156.2	83%	0.832	78%	0.783	S	S	*	*			trans	-156.4	118.4	137.5	-137.7	170.4	-1.9	0	0	109.8
274	K	49.6	Very low	41.3	Very low	206 Å²	206	155.4 Å²	155.4	90%	0.896	78%	0.782	S	S	*	*			trans	-125	65.2	-179.1	-175.4	-143.5	173.4	-174.2	0	108.7
275	E	39.8	Very low	39.9	Very low	163 Å²	163	160.8 Å²	160.8	76%	0.762	80%	0.796	S	S	*	*			trans	-129.4	109.4	176.2	-72.3	-167.2	123.7	0	0	111.7
276	M	39.3	Very low	38.8	Very low	172 Å²	172	161.2 Å²	161.2	85%	0.847	80%	0.798	S	S	*	*			trans	35.5	97.6	131.3	-163.8	179	81.7	0	0	118.5
277	I	41.3	Very low	37.7	Very low	161 Å²	161	159.3 Å²	159.3	83%	0.826	79%	0.791	S	S	*	*				-127.5	110.5	128.3	-55.6	-176.8	0	0	0	107.4
278	E	35.1	Very low	36.9	Very low	166 Å²	166	157 Å²	157	78%	0.776	79%	0.787	S	S	*	*			trans	-101.4	131.3	167.8	179.2	-175.9	-165.8	0	0	107.7
279	T	35.2	Very low	36.1	Very low	126 Å²	126	157.8 Å²	157.8	77%	0.773	79%	0.787	S	S	*	*			trans	-146.4	129.7	167	-42.6	0	0	0	0	110.6
280	K	33.1	Very low	35.5	Very low	176 Å²	176	159.7 Å²	159.7	77%	0.765	80%	0.795	S	S	*	*			trans	-74.1	136.9	-173.7	-82.6	176	175.1	172.4	0	113.5
281	V	30.6	Very low	34.8	Very low	132 Å²	132	157.1 Å²	157.1	80%	0.8	79%	0.791	S	S	*	*				26.8	115.6	121.2	-175	0	0	0	0	117.5
282	V	29.9	Very low	34.1	Very low	137 Å²	137	156.7 Å²	156.7	83%	0.83	79%	0.788	S	S	*	*			trans	-138.1	136.6	136.9	179	0	0	0	0	109.3
283	K	30.9	Very low	33.4	Very low	160 Å²	160	153.9 Å²	153.9	70%	0.696	78%	0.779	S	S	*	*			trans	-7.2	143.5	161.8	-69.6	-168	172.2	-159.4	0	120.4
284	E	27.7	Very low	33.1	Very low	169 Å²	169	153.6 Å²	153.6	79%	0.79	78%	0.777	S	S	*	*				52.3	134.9	85	-51.6	174.3	117.5	0	0	112.5
285	E	30	Very low	32.2	Very low	178 Å²	178	151 Å²	151	83%	0.832	77%	0.768	S	S	*	*			cis	-158.2	136.4	47.5	-173.4	167.6	-163.2	0	0	114.6
286	K	26.6	Very low	32.1	Very low	173 Å²	173	147.3 Å²	147.3	75%	0.752	76%	0.76	S	S	*	*			trans	27.4	154.1	138.6	-137.7	-175.3	177.8	-166.6	0	125.1
287	A	28.8	Very low	31.8	Very low	78 Å²	78	146.9 Å²	146.9	65%	0.645	75%	0.754	S	S	*	*			trans	87	144.7	144.8	0	0	0	0	0	120.2
288	D	30.7	Very low	31.2	Very low	135 Å²	135	147.4 Å²	147.4	72%	0.722	75%	0.75	S	S	*	*			cis	-158.6	-178.8	-19.3	-98.5	-22.9	0	0	0	109.8
289	D	29.3	Very low	31	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	75%	0.746	S	S	*	*			trans	-35.6	154.2	-176	-66.4	-52.3	0	0	0	121
290	I	34.1	Very low	30.7	Very low	171 Å²	171	143.6 Å²	143.6	88%	0.877	74%	0.735	S	S	*	*				-163.9	147.9	111.4	-96.3	155.9	0	0	0	110.8
291	N	30.4	Very low	30.6	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	73%	0.732	S	S	*	*			trans	-136.8	-177.1	-178.5	-168.8	9.2	0	0	0	109.9
292	L	32.6	Very low	30.7	Very low	145 Å²	145	141.9 Å²	141.9	76%	0.759	73%	0.729	S	S	*	*			trans	100.6	117.6	-174.7	-59.7	166.7	0	0	0	112.1
293	N	29.2	Very low	31.8	Very low	122 Å²	122	140.8 Å²	140.8	65%	0.652	73%	0.725	S	S	*	*				83	144.5	64.1	-72.7	27.3	0	0	0	111.7
294	E	31.7	Very low	31.8	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	73%	0.729	S	S	*	*			cis	-158.5	-165.2	5.6	-137	-174.7	127.2	0	0	112.3
295	E	30.9	Very low	31.9	Very low	151 Å²	151	139.7 Å²	139.7	71%	0.706	72%	0.722	S	S	*	*			trans	81.7	146.8	148.9	-158	170.2	-172.9	0	0	119.6	K297	E295-K297 IonicContact OE1-NZ 2.6Å; E295-K297 PolarHBondContact OE1-NZ 3.44Å
296	S	36.3	Very low	32.6	Very low	86 Å²	86	137 Å²	137	60%	0.601	72%	0.72	S	S	*	*			cis	-166.3	-156.3	-42.7	63	0	0	0	0	109.9
297	K	33.2	Very low	32.9	Very low	163 Å²	163	136.6 Å²	136.6	71%	0.709	72%	0.718	S	S	*	*			cis	-166.6	127	6.5	-128.9	156.7	-138.8	162.7	0	112.7	E295	E295-K297 IonicContact OE1-NZ 2.6Å; E295-K297 PolarHBondContact OE1-NZ 3.44Å
298	K	29.4	Very low	33	Very low	173 Å²	173	138.5 Å²	138.5	75%	0.752	73%	0.727	S	S	*	*			trans	54.9	-168.3	161	-133.7	176	179.4	-79.3	0	115.7	D300	K298-D300 VanDerWaalsContact NZ-CG 3.32Å; K298-D300 IonicContact NZ-OD1 2.64Å; K298-D300 PolarHBondContact NZ-OD1 2.04Å; K298-D300 IonicContact NZ-OD2 3.57Å
299	T	30	Very low	33.5	Very low	112 Å²	112	138.1 Å²	138.1	69%	0.687	73%	0.732	S	S	*	*			cis	-165.4	175.5	0.4	-136.5	0	0	0	0	108.4
300	D	29.3	Very low	33.6	Very low	100 Å²	100	136.8 Å²	136.8	54%	0.535	73%	0.734	S	S	.	*			cis	177.3	157.7	-29.5	-102	80	0	0	0	107.4	K298	K298-D300 VanDerWaalsContact NZ-CG 3.32Å; K298-D300 IonicContact NZ-OD1 2.64Å; K298-D300 PolarHBondContact NZ-OD1 2.04Å; K298-D300 IonicContact NZ-OD2 3.57Å
301	N	32	Very low	33.5	Very low	132 Å²	132	137.7 Å²	137.7	71%	0.706	73%	0.732	S	S	*	*			cis	-156.4	-156.6	-10.4	-156.2	-76.1	0	0	0	109.6
302	N	31	Very low	33.4	Very low	140 Å²	140	137.2 Å²	137.2	75%	0.749	73%	0.734	S	S	*	*			trans	-97	-150.7	-174.5	-60.5	-36.5	0	0	0	112.9
303	P	53.2	Low	33.4	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	73%	0.73	S	S	*	*			cis	-147	-163.1	-1.9	45.2	-22	0	0	0	119
304	E	30.9	Very low	33.6	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	73%	0.734	S	S	*	*			trans	-87.4	-176	-175.3	-46.8	99	110.6	0	0	115.7
305	E	30.7	Very low	33.6	Very low	138 Å²	138	138 Å²	138	65%	0.645	74%	0.736	S	S	*	*			cis	-127	-111.5	5.9	-167.7	-165.5	-126.1	0	0	112.6	K307	E305-K307 IonicContact OE1-NZ 2.62Å; E305-K307 PolarHBondContact OE1-NZ 3.18Å; E305-K307 IonicContact OE2-NZ 2.74Å; E305-K307 PolarHBondContact OE2-NZ 3.38Å
306	P	44.6	Very low	33.8	Very low	120 Å²	120	136 Å²	136	78%	0.779	74%	0.738	S	S	*	*			cis	-123.2	-149.4	-1	45.4	-27.5	0	0	0	114.4
307	K	32.1	Very low	33.9	Very low	165 Å²	165	140.1 Å²	140.1	72%	0.717	75%	0.752	S	S	*	*			trans	-139.3	161.1	-177.6	-62.5	178.9	-176.8	73.6	0	115.4	E305	E305-K307 IonicContact OE1-NZ 2.62Å; E305-K307 PolarHBondContact OE1-NZ 3.18Å; E305-K307 IonicContact OE2-NZ 2.74Å; E305-K307 PolarHBondContact OE2-NZ 3.38Å
308	S	31.7	Very low	33.7	Very low	118 Å²	118	141.8 Å²	141.8	83%	0.825	76%	0.762	S	S	*	*			trans	-154.6	162.6	152.3	76.1	0	0	0	0	113.3
309	P	41.2	Very low	33.7	Very low	128 Å²	128	138.2 Å²	138.2	83%	0.831	77%	0.765	S	S	*	*			trans	-121.7	163.8	-167.7	41.5	-30.3	0	0	0	116.8
310	S	31	Very low	33.7	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	77%	0.773	S	S	*	*			trans	-137.7	84	179.9	50.4	0	0	0	0	116.7
311	K	31.6	Very low	34	Very low	189 Å²	189	146.8 Å²	146.8	82%	0.822	81%	0.808	S	S	*	*			trans	31.5	107.4	138.5	-168.1	174.3	-176.9	177	0	120.5
312	T	29.3	Very low	34.1	Very low	128 Å²	128	147.6 Å²	147.6	79%	0.785	81%	0.813	S	S	*	*			trans	-62.4	149.3	158.4	-46.9	0	0	0	0	112.3	V314	T312-V314 HydrophobicContact CG2-CG2 4.49Å
313	T	32.1	Very low	34.3	Very low	110 Å²	110	147.9 Å²	147.9	68%	0.675	82%	0.816	S	S	*	*			trans	-143.7	127.8	163.5	-61	0	0	0	0	110.2
314	V	34.3	Very low	33.2	Very low	121 Å²	121	149.8 Å²	149.8	73%	0.733	82%	0.821	S	S	*	*			trans	-111.7	143.1	173.1	178.2	0	0	0	0	108.2	T312	T312-V314 HydrophobicContact CG2-CG2 4.49Å
315	R	32	Very low	33.4	Very low	222 Å²	222	148.8 Å²	148.8	84%	0.838	82%	0.823	S	S	*	*			trans	-143.1	114	171.4	-169.8	-177.8	-64.1	-136.7	3.4	109.6
316	C	33.3	Very low	33.5	Very low	110 Å²	110	149.4 Å²	149.4	74%	0.743	83%	0.834	S	S	*	*			trans	-84.6	154.6	171.2	-55.8	0	0	0	0	110.2
317	L	38.8	Very low	32.8	Very low	173 Å²	173	151.4 Å²	151.4	91%	0.906	84%	0.838	S	S	*	*			trans	-131.8	147.3	159.9	-71.1	175.5	0	0	0	107.6
318	E	29	Very low	32.9	Very low	198 Å²	198	150.4 Å²	150.4	93%	0.925	85%	0.846	S	S	*	*			trans	-118.4	147.3	-170.1	-173.7	162.8	-163.9	0	0	109.9
319	A	30.4	Very low	33	Very low	98 Å²	98	152.9 Å²	152.9	81%	0.81	85%	0.848	S	S	*	*			trans	-151.6	109.2	179.9	0	0	0	0	0	111.2
320	E	29.7	Very low	32.3	Very low	184 Å²	184	155 Å²	155	86%	0.86	85%	0.849	S	S	*	*			trans	-68.2	156.9	148.8	-80.6	-179.3	105.5	0	0	109.1
321	V	35.8	Very low	32.4	Very low	208 Å²	208	158.3 Å²	158.3	100%	1.261	85%	0.851	S	S	*	*			cis	-130.1	0	16.2	179.9	0	0	0	0	110.7

Retrieved 321 of 321 residues in 45.7 ms (Link to these results)

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