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Large ribosomal subunit protein uL18

This is one of the proteins that bind and probably mediate the attachment of the 5S RNA into the large ribosomal subunit, where it forms part of the central protuberance.

AlphaFold DB (Q2FW22), UniProt , Accession Q99S37, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rplR, Length 119 aa.

						>RL18_STAAM|Q99S37|rplR
MISKIDKNKVRLKRHARVRTNLSGTAEKPRLNVYRSNKHIYAQIIDDNKGVTLAQASSKDSDIATTATKVELATKVGEAIAKKAADKGIKEIVFDRGGYLYHGRVKALAEAARESGLEF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	65.9	Low	89.7	Confident	246 Å²	246	127.8 Å²	127.8	100%	1.212	64%	0.637	S	S	*	*				0	127.3	0	-86	-175.5	-172.1	0	0	109.1
2	I	84.4	Confident	90.2	Very high	167 Å²	167	124 Å²	124	86%	0.856	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-77.9	126.9	169.9	-60.3	170.7	0	0	0	107.8	K4	I2-K4 PolarHBondContact O-N 3.09Å
3	S	86.7	Confident	90.7	Very high	107 Å²	107	127.2 Å²	127.2	75%	0.748	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-70.1	128.3	176.9	57.1	0	0	0	0	110.3
4	K	90.3	Very high	91.1	Very high	208 Å²	208	127.1 Å²	127.1	90%	0.904	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-75.9	129	175.5	-69.3	180	-178.7	174.5	0	109.2	I2 D6	I2-K4 PolarHBondContact O-N 3.09Å; K4-D6 PolarHBondContact O-N 2.84Å
5	I	91.9	Very high	91.4	Very high	134 Å²	134	120.5 Å²	120.5	69%	0.687	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-67.9	128.5	176.1	-58	171.1	0	0	0	109.3	K7 V10	I5-K7 PolarHBondContact O-N 3.49Å; I5-K7 VanDerWaalsContact O-N 3.11Å; I5-V10 HydrophobicContact CG2-CG2 3.45Å; I5-V10 VanDerWaalsContact CG2-CG2 3.45Å
6	D	93.8	Very high	91.6	Very high	79 Å²	79	116.8 Å²	116.8	42%	0.422	58%	0.579	S	S	.	*			trans	-67.1	108.8	171.2	-179.6	-6.2	0	0	0	110.2	K4 N8 K9 V10	K4-D6 PolarHBondContact O-N 2.84Å; D6-N8 PolarHBondContact O-N 3.09Å; D6-N8 WeakPolarHBondContact OD1-CB 2.87Å; D6-N8 PolarHBondContact OD1-N 3.44Å; D6-K9 HydrophobicContact CB-CB 4.22Å; D6-K9 HydrophobicContact CB-CD 4.06Å; D6-K9 HydrophobicContact CB-CG 4.06Å; D6-K9 PolarHBondContact O-N 2.63Å; D6-K9 VanDerWaalsContact O-N 3.15Å; D6-K9 WeakPolarHBondContact OD2-CG 3.49Å; D6-V10 PolarHBondContact O-N 2.92Å
7	K	93.4	Very high	91.9	Very high	181 Å²	181	121.5 Å²	121.5	79%	0.787	59%	0.588	S	S	*	*	H	α-helix	trans	-59.2	-30.2	-179.5	-63.5	-177.7	-179.7	-179.4	0	112.2	I5 R11	I5-K7 PolarHBondContact O-N 3.49Å; I5-K7 VanDerWaalsContact O-N 3.11Å; K7-R11 PolarHBondContact O-N 3.09Å
8	N	94	Very high	92	Very high	67 Å²	67	116.6 Å²	116.6	36%	0.358	57%	0.567	S	S	.	*	H	α-helix	trans	-72.4	-39.7	178.5	-171.2	41.9	0	0	0	111.3	D6 V10 R11 L12	D6-N8 PolarHBondContact O-N 3.09Å; D6-N8 WeakPolarHBondContact OD1-CB 2.87Å; D6-N8 PolarHBondContact OD1-N 3.44Å; N8-V10 VanDerWaalsContact C-N 3.31Å; N8-V10 PolarHBondContact O-N 3Å; N8-R11 WeakPolarHBondContact O-CB 3.46Å; N8-R11 PolarHBondContact O-N 3.02Å; N8-R11 PolarHBondContact OD1-NE 3.44Å; N8-R11 VanDerWaalsContact OD1-NE 3.09Å; N8-R11 PolarHBondContact OD1-NH2 3.41Å; N8-R11 VanDerWaalsContact OD1-NH2 3.09Å; N8-L12 WeakPolarHBondContact O-CB 3.46Å; N8-L12 WeakPolarHBondContact O-CG 2.71Å; N8-L12 PolarHBondContact O-N 3.08Å
9	K	95.1	Very high	92.1	Very high	138 Å²	138	114.5 Å²	114.5	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-59	-42.9	173.2	-72.9	-178.4	-173.5	-177.1	0	111.8	D6 L12 K13	D6-K9 HydrophobicContact CB-CB 4.22Å; D6-K9 HydrophobicContact CB-CD 4.06Å; D6-K9 HydrophobicContact CB-CG 4.06Å; D6-K9 PolarHBondContact O-N 2.63Å; D6-K9 VanDerWaalsContact O-N 3.15Å; D6-K9 WeakPolarHBondContact OD2-CG 3.49Å; K9-L12 PolarHBondContact O-N 3.11Å; K9-K13 WeakPolarHBondContact O-CG 3.43Å; K9-K13 PolarHBondContact O-N 2.89Å; K9-K13 VanDerWaalsContact O-N 3.08Å
10	V	95.7	Very high	92.2	Very high	56 Å²	56	113.9 Å²	113.9	34%	0.339	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-40.5	176.8	-176.3	0	0	0	0	111.4	I5 D6 N8 K13 R14	I5-V10 HydrophobicContact CG2-CG2 3.45Å; I5-V10 VanDerWaalsContact CG2-CG2 3.45Å; D6-V10 PolarHBondContact O-N 2.92Å; N8-V10 VanDerWaalsContact C-N 3.31Å; N8-V10 PolarHBondContact O-N 3Å; V10-K13 PolarHBondContact O-N 3.23Å; V10-R14 PolarHBondContact O-N 3.46Å
11	R	95.9	Very high	92.1	Very high	23 Å²	23	115.7 Å²	115.7	9%	0.087	57%	0.568	C	S	.	*	H	α-helix	trans	-62.4	-46.3	174.3	-176.3	-159.1	64.9	83	-2.1	111.6	K7 N8 K13 R14 H15 G97 Y99	K7-R11 PolarHBondContact O-N 3.09Å; N8-R11 WeakPolarHBondContact O-CB 3.46Å; N8-R11 PolarHBondContact O-N 3.02Å; N8-R11 PolarHBondContact OD1-NE 3.44Å; N8-R11 VanDerWaalsContact OD1-NE 3.09Å; N8-R11 PolarHBondContact OD1-NH2 3.41Å; N8-R11 VanDerWaalsContact OD1-NH2 3.09Å; R11-K13 VanDerWaalsContact C-N 3.3Å; R11-K13 PolarHBondContact O-N 3.1Å; R11-R14 WeakPolarHBondContact O-CB 3.26Å; R11-R14 PolarHBondContact O-N 2.92Å; R11-R14 VanDerWaalsContact O-N 3.1Å; R11-H15 PolarHBondContact NH1-ND1 3.26Å; R11-H15 WeakPolarHBondContact O-CB 3.42Å; R11-H15 PolarHBondContact O-N 3.05Å; R11-G97 WeakPolarHBondContact CD-O 3.49Å; R11-G97 WeakPolarHBondContact CG-O 3.49Å; R11-G97 PolarHBondContact NH1-O 2.82Å; R11-Y99 WeakPolarHBondContact CD-OH 3.38Å; R11-Y99 HydrophobicContact CG-CD1 4.48Å; R11-Y99 HydrophobicContact CG-CE1 4.14Å
12	L	95.7	Very high	93.3	Very high	82 Å²	82	105.8 Å²	105.8	43%	0.429	52%	0.52	S	S	.	.	H	α-helix	trans	-58.7	-41.3	179	-75.5	170.2	0	0	0	111.5	N8 K9 R14 H15 A16	N8-L12 WeakPolarHBondContact O-CB 3.46Å; N8-L12 WeakPolarHBondContact O-CG 2.71Å; N8-L12 PolarHBondContact O-N 3.08Å; K9-L12 PolarHBondContact O-N 3.11Å; L12-R14 PolarHBondContact O-N 2.9Å; L12-H15 PolarHBondContact O-N 3.19Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.27Å
13	K	96.2	Very high	93.5	Very high	165 Å²	165	101.6 Å²	101.6	72%	0.717	51%	0.506	S	S	*	.	H	α-helix	trans	-59.2	-43.5	173.4	-72.3	-175.9	178.4	-172	0	112.7	K9 V10 R11 R17	K9-K13 WeakPolarHBondContact O-CG 3.43Å; K9-K13 PolarHBondContact O-N 2.89Å; K9-K13 VanDerWaalsContact O-N 3.08Å; V10-K13 PolarHBondContact O-N 3.23Å; R11-K13 VanDerWaalsContact C-N 3.3Å; R11-K13 PolarHBondContact O-N 3.1Å; K13-R17 PolarHBondContact O-N 3.24Å
14	R	96.1	Very high	93.6	Very high	127 Å²	127	96.5 Å²	96.5	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-66.7	-40.5	174.9	-73.1	-169.7	-66	-96.3	-6.2	112.2	V10 R11 L12 R17 V18 G98	V10-R14 PolarHBondContact O-N 3.46Å; R11-R14 WeakPolarHBondContact O-CB 3.26Å; R11-R14 PolarHBondContact O-N 2.92Å; R11-R14 VanDerWaalsContact O-N 3.1Å; L12-R14 PolarHBondContact O-N 2.9Å; R14-R17 PolarHBondContact O-N 3.16Å; R14-V18 WeakPolarHBondContact O-CG2 3.19Å; R14-V18 PolarHBondContact O-N 2.91Å; R14-G98 PolarHBondContact NE-O 3.34Å; R14-G98 VanDerWaalsContact NE-O 3.11Å
15	H	96.1	Very high	93.7	Very high	27 Å²	27	89.2 Å²	89.2	13%	0.125	44%	0.443	C	S	.	.	H	α-helix	trans	-62.8	-46.6	178.9	-171.6	-173.6	0	0	0	110.8	R11 L12 R17 V18 R19 D95	R11-H15 PolarHBondContact NH1-ND1 3.26Å; R11-H15 WeakPolarHBondContact O-CB 3.42Å; R11-H15 PolarHBondContact O-N 3.05Å; L12-H15 PolarHBondContact O-N 3.19Å; H15-R17 VanDerWaalsContact C-N 3.3Å; H15-R17 PolarHBondContact O-N 3.42Å; H15-V18 PolarHBondContact O-N 3.03Å; H15-V18 VanDerWaalsContact O-N 3.07Å; H15-R19 WeakPolarHBondContact O-CB 3.26Å; H15-R19 WeakPolarHBondContact O-CG 3.24Å; H15-R19 PolarHBondContact O-N 3.05Å; H15-D95 IonicContact CD2-OD1 3.71Å; H15-D95 IonicContact CD2-OD2 2.71Å; H15-D95 IonicContact CE1-OD2 3.26Å; H15-D95 IonicContact NE2-OD1 2.79Å; H15-D95 PolarHBondContact NE2-OD1 2.96Å; H15-D95 IonicContact NE2-OD2 3.95Å; H15-D95 PolarHBondContact NE2-OD2 2.87Å
16	A	95.3	Very high	93.5	Very high	61 Å²	61	85.6 Å²	85.6	50%	0.504	43%	0.433	S	S	.	.	H	α-helix	trans	-56.4	-42.4	174.8	0	0	0	0	0	112.1	L12 V18 R19 T20	L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.27Å; A16-V18 PolarHBondContact O-N 2.85Å; A16-R19 PolarHBondContact O-N 2.92Å; A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.37Å
17	R	95.8	Very high	93.3	Very high	197 Å²	197	89.9 Å²	89.9	74%	0.743	45%	0.451	S	S	*	.	H	α-helix	trans	-64	-36.9	175.2	-171	-175	-61.8	-170.1	-2.4	113.3	K13 R14 H15 R19 T20	K13-R17 PolarHBondContact O-N 3.24Å; R14-R17 PolarHBondContact O-N 3.16Å; H15-R17 VanDerWaalsContact C-N 3.3Å; H15-R17 PolarHBondContact O-N 3.42Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-T20 PolarHBondContact O-OG1 2.98Å
18	V	93.9	Very high	93.3	Very high	34 Å²	34	85.7 Å²	85.7	21%	0.206	43%	0.432	C	S	.	.	H	α-helix	trans	-68.3	-39.8	175.1	172.2	0	0	0	0	110.2	R14 H15 A16 T20 N21 L22	R14-V18 WeakPolarHBondContact O-CG2 3.19Å; R14-V18 PolarHBondContact O-N 2.91Å; H15-V18 PolarHBondContact O-N 3.03Å; H15-V18 VanDerWaalsContact O-N 3.07Å; A16-V18 PolarHBondContact O-N 2.85Å; V18-T20 PolarHBondContact O-N 3.46Å; V18-N21 PolarHBondContact O-N 2.88Å; V18-L22 HydrophobicContact CG1-CB 4.32Å; V18-L22 HydrophobicContact CG1-CD2 4.19Å; V18-L22 VanDerWaalsContact O-CB 3.29Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 PolarHBondContact O-N 2.86Å
19	R	94.1	Very high	93.4	Very high	76 Å²	76	82.5 Å²	82.5	29%	0.287	42%	0.416	S	S	.	.	H	α-helix	trans	-69	-12.6	-179	-72.5	-74.3	-66.6	158.3	-13.3	114.7	H15 A16 R17 N21 L22 R30 D47	H15-R19 WeakPolarHBondContact O-CB 3.26Å; H15-R19 WeakPolarHBondContact O-CG 3.24Å; H15-R19 PolarHBondContact O-N 3.05Å; A16-R19 PolarHBondContact O-N 2.92Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R19-N21 VanDerWaalsContact C-N 3.26Å; R19-N21 PolarHBondContact O-N 2.9Å; R19-L22 PolarHBondContact NH1-O 3.14Å; R19-R30 VanDerWaalsContact CZ-NE 3.26Å; R19-D47 IonicContact CZ-OD1 3.44Å; R19-D47 IonicContact CZ-OD2 2.63Å; R19-D47 VanDerWaalsContact CZ-OD2 3.26Å; R19-D47 IonicContact NH1-OD1 3.52Å; R19-D47 IonicContact NH1-OD2 3.29Å; R19-D47 PolarHBondContact NH1-OD2 3.31Å; R19-D47 IonicContact NH2-OD1 3.13Å; R19-D47 PolarHBondContact NH2-OD1 3.05Å; R19-D47 VanDerWaalsContact NH2-OD1 3.13Å; R19-D47 IonicContact NH2-OD2 2.88Å; R19-D47 PolarHBondContact NH2-OD2 3.07Å
20	T	93.5	Very high	93.4	Very high	103 Å²	103	76.6 Å²	76.6	63%	0.632	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.6	172.7	62.1	0	0	0	0	112.2	A16 R17 V18	A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.37Å; R17-T20 PolarHBondContact O-OG1 2.98Å; V18-T20 PolarHBondContact O-N 3.46Å
21	N	90.8	Very high	93.5	Very high	151 Å²	151	74 Å²	74	81%	0.807	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-10.5	-176.3	-59.3	-1.3	0	0	0	112.2	V18 R19	V18-N21 PolarHBondContact O-N 2.88Å; R19-N21 VanDerWaalsContact C-N 3.26Å; R19-N21 PolarHBondContact O-N 2.9Å
22	L	90.2	Very high	93.5	Very high	38 Å²	38	74.2 Å²	74.2	20%	0.199	38%	0.377	C	S	.	.			trans	-121.8	109.5	-170.9	-163.8	94.9	0	0	0	109.8	V18 R19 V93 D95	V18-L22 HydrophobicContact CG1-CB 4.32Å; V18-L22 HydrophobicContact CG1-CD2 4.19Å; V18-L22 VanDerWaalsContact O-CB 3.29Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 PolarHBondContact O-N 2.86Å; R19-L22 PolarHBondContact NH1-O 3.14Å; L22-V93 HydrophobicContact CD1-CG1 3.21Å; L22-V93 HydrophobicContact CD2-CG1 4.06Å; L22-V93 HydrophobicContact CG-CG1 3.51Å; L22-D95 HydrophobicContact CD2-CB 3.54Å
23	S	89.3	Confident	93.5	Very high	80 Å²	80	70.3 Å²	70.3	56%	0.559	36%	0.356	S	S	*	.			trans	-128	151.6	171.9	54.5	0	0	0	0	110.6
24	G	88.8	Confident	93.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.34	C	S	.	.			trans	-107.8	128.9	174.7	0	0	0	0	0	111	K28 D47	G24-K28 CarbonylContact C-O 3.55Å; G24-K28 VanDerWaalsContact CA-O 3.26Å; G24-K28 WeakPolarHBondContact CA-O 3.35Å; G24-D47 PolarHBondContact N-OD2 3.15Å; G24-D47 VanDerWaalsContact O-CB 3.28Å; G24-D47 WeakPolarHBondContact O-CB 3.29Å; G24-D47 PolarHBondContact O-N 3.22Å
25	T	91.2	Very high	93.5	Very high	54 Å²	54	65.8 Å²	65.8	33%	0.331	34%	0.335	S	S	.	.			trans	-96.4	179	174.8	62.2	0	0	0	0	110.6	E27 K28 P29	T25-E27 VanDerWaalsContact C-N 3.26Å; T25-E27 PolarHBondContact O-N 2.95Å; T25-K28 PolarHBondContact N-O 3.49Å; T25-K28 CarbonylContact O-C 3.51Å; T25-K28 VanDerWaalsContact O-C 3.24Å; T25-K28 PolarHBondContact OG1-N 2.98Å; T25-P29 WeakPolarHBondContact O-CA 3.38Å; T25-P29 VanDerWaalsContact O-N 3.09Å
26	A	88.2	Confident	93.4	Very high	59 Å²	59	66 Å²	66	49%	0.488	34%	0.34	S	S	.	.	S	Bend	trans	-62.7	-33.4	173	0	0	0	0	0	112.7
27	E	89.9	Confident	93.2	Very high	169 Å²	169	70.1 Å²	70.1	79%	0.79	35%	0.353	S	S	*	.	S	Bend	trans	-78.3	-40	178.6	-65.2	177.9	177.8	0	0	112.3	T25 P29	T25-E27 VanDerWaalsContact C-N 3.26Å; T25-E27 PolarHBondContact O-N 2.95Å; E27-P29 WeakPolarHBondContact O-CD 3.28Å
28	K	93.7	Very high	93	Very high	92 Å²	92	68.3 Å²	68.3	40%	0.4	35%	0.351	S	S	.	.	S	Bend	trans	-126	76	179.8	-64.1	-171.4	-174.5	-143.7	0	109.7	G24 T25 E91 V93	G24-K28 CarbonylContact C-O 3.55Å; G24-K28 VanDerWaalsContact CA-O 3.26Å; G24-K28 WeakPolarHBondContact CA-O 3.35Å; T25-K28 PolarHBondContact N-O 3.49Å; T25-K28 CarbonylContact O-C 3.51Å; T25-K28 VanDerWaalsContact O-C 3.24Å; T25-K28 PolarHBondContact OG1-N 2.98Å; K28-E91 WeakPolarHBondContact CE-OE2 3.33Å; K28-E91 HydrophobicContact CG-CB 4.19Å; K28-E91 IonicContact NZ-OE2 2.82Å; K28-E91 PolarHBondContact NZ-OE2 2.93Å; K28-V93 HydrophobicContact CB-CG2 4.16Å
29	P	95.9	Very high	93	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.006	35%	0.352	C	S	.	.			trans	-68.4	156.8	-177.3	27.6	-33.8	0	0	0	110.9	T25 E27 I44 I45 L53 I89 E91 I92 V93	T25-P29 WeakPolarHBondContact O-CA 3.38Å; T25-P29 VanDerWaalsContact O-N 3.09Å; E27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-I44 HydrophobicContact CB-CG2 3.64Å; P29-I44 HydrophobicContact CG-CG2 3.63Å; P29-I45 WeakPolarHBondContact CB-O 3.29Å; P29-L53 HydrophobicContact CB-CD1 3.87Å; P29-L53 HydrophobicContact CG-CD1 4Å; P29-I89 HydrophobicContact CG-CD1 4.3Å; P29-I89 HydrophobicContact CG-CG2 3.61Å; P29-E91 WeakPolarHBondContact CD-O 3.34Å; P29-I92 HydrophobicContact CG-CG2 4.1Å; P29-I92 CarbonylContact O-C 3.53Å; P29-I92 VanDerWaalsContact O-CA 3.24Å; P29-I92 WeakPolarHBondContact O-CA 3.47Å; P29-I92 VanDerWaalsContact O-CB 3.26Å; P29-I92 WeakPolarHBondContact O-CB 3.45Å; P29-V93 PolarHBondContact O-N 3.24Å
30	R	96.3	Very high	93.1	Very high	14 Å²	14	65.5 Å²	65.5	5%	0.053	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.8	-174	177.6	177	57.3	86.6	8.7	111.1	R19 I44 I45 D47 V93 D95	R19-R30 VanDerWaalsContact CZ-NE 3.26Å; R30-I44 CarbonylContact O-C 3.42Å; R30-I44 WeakPolarHBondContact O-CA 3.45Å; R30-I45 PolarHBondContact N-O 2.84Å; R30-I45 PolarHBondContact O-N 3.45Å; R30-D47 IonicContact CZ-OD1 3.46Å; R30-D47 IonicContact NE-OD1 3.26Å; R30-D47 PolarHBondContact NE-OD1 2.93Å; R30-D47 IonicContact NE-OD2 3.16Å; R30-D47 PolarHBondContact NE-OD2 3.48Å; R30-D47 VanDerWaalsContact NE-OD2 3.16Å; R30-D47 IonicContact NH2-OD1 2.76Å; R30-D47 PolarHBondContact NH2-OD1 3.24Å; R30-V93 CarbonylContact C-O 3.24Å; R30-V93 VanDerWaalsContact CA-O 3.31Å; R30-V93 WeakPolarHBondContact CA-O 3.36Å; R30-D95 HydrophobicContact CG-CB 3.63Å; R30-D95 IonicContact CZ-OD2 3.99Å; R30-D95 IonicContact NH1-OD2 3.81Å; R30-D95 PolarHBondContact NH1-OD2 2.97Å
31	L	96.2	Very high	93.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106.1	169.4	177.5	61.6	0	0	0	110.4	A42 Q43 I44 I80 I92 V93 F94 D95 L108	L31-A42 HydrophobicContact CD1-CB 4.13Å; L31-Q43 CarbonylContact C-O 3.57Å; L31-Q43 WeakPolarHBondContact CA-O 3.49Å; L31-I44 HydrophobicContact CB-CG1 4.44Å; L31-I44 HydrophobicContact CD1-CG1 3.78Å; L31-I80 HydrophobicContact CD1-CG1 3.89Å; L31-I80 HydrophobicContact CD1-CG2 4.36Å; L31-I92 HydrophobicContact CB-CD1 3.43Å; L31-I92 VanDerWaalsContact CB-CD1 3.43Å; L31-I92 HydrophobicContact CD2-CD1 3.49Å; L31-I92 VanDerWaalsContact CD2-CD1 3.49Å; L31-I92 HydrophobicContact CG-CD1 4.05Å; L31-V93 PolarHBondContact N-O 2.88Å; L31-F94 HydrophobicContact CD2-CD2 4.01Å; L31-F94 HydrophobicContact CD2-CE2 4.32Å; L31-F94 HydrophobicContact CG-CD2 4.31Å; L31-D95 WeakPolarHBondContact O-CA 3.29Å; L31-D95 WeakPolarHBondContact O-CB 3.31Å; L31-D95 PolarHBondContact O-N 3.13Å; L31-L108 HydrophobicContact CD2-CD2 4.4Å
32	N	96.4	Very high	93.5	Very high	28 Å²	28	56.6 Å²	56.6	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.8	178.2	-173.5	21.5	0	0	0	111.9	A42 Q43 I45	N32-A42 WeakPolarHBondContact O-CA 3.49Å; N32-Q43 PolarHBondContact N-O 2.82Å; N32-Q43 PolarHBondContact O-N 3.47Å; N32-I45 HydrophobicContact CB-CD1 4.21Å
33	V	96.6	Very high	93.8	Very high	1 Å²	1	58 Å²	58	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.3	176.4	-178.5	0	0	0	0	111.6	I40 F94 D95 V105 L108	V33-I40 HydrophobicContact CG1-CD1 4Å; V33-I40 HydrophobicContact CG1-CG1 4.13Å; V33-F94 HydrophobicContact CG2-CE2 3.69Å; V33-F94 HydrophobicContact CG2-CZ 3.97Å; V33-D95 PolarHBondContact N-O 3.2Å; V33-D95 VanDerWaalsContact N-O 3.09Å; V33-V105 HydrophobicContact CG1-CG2 4.27Å; V33-L108 HydrophobicContact CG1-CD1 4.2Å; V33-L108 HydrophobicContact CG2-CD1 4.28Å; V33-L108 HydrophobicContact CG2-CD2 3.97Å
34	Y	96.6	Very high	94.1	Very high	98 Å²	98	54.2 Å²	54.2	38%	0.384	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.3	170.1	-179.8	-104.3	0	0	0	111.8	I40 Y41	Y34-I40 CarbonylContact O-C 3.57Å; Y34-I40 WeakPolarHBondContact O-CA 3.24Å; Y34-Y41 AromaticContact CD1-CD2 3.7Å; Y34-Y41 HydrophobicContact CD1-CD2 3.7Å; Y34-Y41 HydrophobicContact CD1-CE2 4.24Å; Y34-Y41 HydrophobicContact CD1-CG 4.49Å; Y34-Y41 HydrophobicContact CE1-CD2 4.4Å; Y34-Y41 PolarHBondContact N-O 3.04Å; Y34-Y41 PolarHBondContact O-N 2.89Å
35	R	94.7	Very high	94.4	Very high	98 Å²	98	55 Å²	55	37%	0.37	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.8	-179.4	-174.9	-169.9	71.5	-176.1	5.4	110.9	Y99	R35-Y99 HydrophobicContact CB-CD2 4.34Å; R35-Y99 HydrophobicContact CB-CE1 4.13Å; R35-Y99 HydrophobicContact CB-CE2 3.89Å; R35-Y99 PolarHBondContact N-OH 3.07Å; R35-Y99 PolarHBondContact O-OH 3.2Å
36	S	93.6	Very high	94.6	Very high	31 Å²	31	52.7 Å²	52.7	22%	0.217	25%	0.252	C	S	.	.			trans	-89.8	-179.6	168.9	81.9	0	0	0	0	111.4	K38 H39 R104	S36-K38 PolarHBondContact O-N 3.36Å; S36-K38 PolarHBondContact OG-N 2.91Å; S36-H39 PolarHBondContact N-O 3.15Å; S36-H39 PolarHBondContact OG-N 3.01Å; S36-H39 PolarHBondContact OG-O 2.78Å; S36-H39 VanDerWaalsContact OG-O 3.14Å; S36-R104 PolarHBondContact O-NH1 3.37Å
37	N	92.5	Very high	94.8	Very high	148 Å²	148	51.9 Å²	51.9	79%	0.791	24%	0.239	S	C	*	.	S	Bend	trans	-61.5	-34.4	177.7	-68.3	-20.1	0	0	0	112.6	K69	N37-K69 PolarHBondContact O-NZ 3.12Å
38	K	90.7	Very high	94.9	Very high	159 Å²	159	49.8 Å²	49.8	69%	0.691	23%	0.233	S	C	*	.	S	Bend	trans	-108.7	-44.1	-176.9	-64.4	-174.4	178.9	-176	0	112.1	S36 R104	S36-K38 PolarHBondContact O-N 3.36Å; S36-K38 PolarHBondContact OG-N 2.91Å; K38-R104 PolarHBondContact O-NH2 3.19Å
39	H	93.8	Very high	94.9	Very high	51 Å²	51	53 Å²	53	24%	0.236	25%	0.247	C	C	.	.			trans	-113.6	161.6	-168.2	-57.6	-69.1	0	0	0	112.7	S36 Y41 S58 K59	S36-H39 PolarHBondContact N-O 3.15Å; S36-H39 PolarHBondContact OG-N 3.01Å; S36-H39 PolarHBondContact OG-O 2.78Å; S36-H39 VanDerWaalsContact OG-O 3.14Å; H39-Y41 HydrophobicContact CB-CD2 4.4Å; H39-Y41 HydrophobicContact CB-CE2 3.59Å; H39-S58 VanDerWaalsContact CA-OG 3.23Å; H39-S58 WeakPolarHBondContact CA-OG 3.31Å; H39-S58 VanDerWaalsContact CB-OG 3.25Å; H39-S58 WeakPolarHBondContact CB-OG 3.42Å; H39-K59 HydrophobicContact CB-CG 4.43Å; H39-K59 WeakPolarHBondContact CD2-CE 3.41Å; H39-K59 WeakPolarHBondContact ND1-CG 3.25Å; H39-K59 VanDerWaalsContact NE2-CE 3.27Å; H39-K59 WeakPolarHBondContact NE2-CE 3.31Å
40	I	95.4	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.3	168.3	-167.6	165.3	0	0	0	109	V33 Y34 S58 A73 V76 R104 L108	V33-I40 HydrophobicContact CG1-CD1 4Å; V33-I40 HydrophobicContact CG1-CG1 4.13Å; Y34-I40 CarbonylContact O-C 3.57Å; Y34-I40 WeakPolarHBondContact O-CA 3.24Å; I40-S58 PolarHBondContact N-OG 2.81Å; I40-S58 PolarHBondContact O-N 2.88Å; I40-S58 PolarHBondContact O-OG 3.29Å; I40-S58 VanDerWaalsContact O-OG 3.11Å; I40-A73 HydrophobicContact CD1-CB 3.96Å; I40-A73 HydrophobicContact CG2-CB 4.26Å; I40-V76 HydrophobicContact CG2-CB 4.36Å; I40-V76 HydrophobicContact CG2-CG2 4.02Å; I40-R104 HydrophobicContact CD1-CB 4.12Å; I40-L108 HydrophobicContact CD1-CD1 3.69Å; I40-L108 HydrophobicContact CG1-CD1 4.01Å
41	Y	96.4	Very high	94.7	Very high	67 Å²	67	58.7 Å²	58.7	26%	0.263	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.8	-176.4	-58.2	-97.5	0	0	0	108.9	Y34 H39 K59	Y34-Y41 AromaticContact CD1-CD2 3.7Å; Y34-Y41 HydrophobicContact CD1-CD2 3.7Å; Y34-Y41 HydrophobicContact CD1-CE2 4.24Å; Y34-Y41 HydrophobicContact CD1-CG 4.49Å; Y34-Y41 HydrophobicContact CE1-CD2 4.4Å; Y34-Y41 PolarHBondContact N-O 3.04Å; Y34-Y41 PolarHBondContact O-N 2.89Å; H39-Y41 HydrophobicContact CB-CD2 4.4Å; H39-Y41 HydrophobicContact CB-CE2 3.59Å; Y41-K59 WeakPolarHBondContact OH-CD 3.43Å; Y41-K59 WeakPolarHBondContact OH-CE 3.44Å
42	A	96.8	Very high	94.6	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.9	176	0	0	0	0	0	109.7	L31 N32 Q55 A56 V76 I80 L108	L31-A42 HydrophobicContact CD1-CB 4.13Å; N32-A42 WeakPolarHBondContact O-CA 3.49Å; A42-Q55 WeakPolarHBondContact O-CA 3.4Å; A42-A56 PolarHBondContact N-O 3.13Å; A42-A56 PolarHBondContact O-N 3.26Å; A42-V76 HydrophobicContact CB-CG1 3.76Å; A42-I80 HydrophobicContact CB-CB 4.19Å; A42-I80 HydrophobicContact CB-CG1 4.16Å; A42-I80 HydrophobicContact CB-CG2 4.28Å; A42-L108 HydrophobicContact CB-CD1 4.25Å
43	Q	96.5	Very high	94.5	Very high	67 Å²	67	62.4 Å²	62.4	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.9	176.6	-70.4	177	-25.7	0	0	109.8	L31 N32 I45 T52 A54 Q55	L31-Q43 CarbonylContact C-O 3.57Å; L31-Q43 WeakPolarHBondContact CA-O 3.49Å; N32-Q43 PolarHBondContact N-O 2.82Å; N32-Q43 PolarHBondContact O-N 3.47Å; Q43-I45 HydrophobicContact CB-CD1 4.06Å; Q43-I45 HydrophobicContact CB-CG1 4.01Å; Q43-T52 HydrophobicContact CB-CG2 4.17Å; Q43-T52 HydrophobicContact CG-CG2 4.27Å; Q43-A54 CarbonylContact C-O 3.57Å; Q43-A54 WeakPolarHBondContact CA-O 3.39Å; Q43-Q55 HydrophobicContact CG-CB 4.15Å
44	I	95.8	Very high	94.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.3	168.6	-63.8	178.4	0	0	0	107.4	P29 R30 L31 T52 L53 A54 I80 A84 I89	P29-I44 HydrophobicContact CB-CG2 3.64Å; P29-I44 HydrophobicContact CG-CG2 3.63Å; R30-I44 CarbonylContact O-C 3.42Å; R30-I44 WeakPolarHBondContact O-CA 3.45Å; L31-I44 HydrophobicContact CB-CG1 4.44Å; L31-I44 HydrophobicContact CD1-CG1 3.78Å; I44-T52 CarbonylContact O-C 3.53Å; I44-T52 WeakPolarHBondContact O-CA 3.45Å; I44-L53 HydrophobicContact CG2-CB 4.24Å; I44-L53 HydrophobicContact CG2-CD1 4.4Å; I44-L53 PolarHBondContact O-N 3.16Å; I44-A54 HydrophobicContact CB-CB 4.26Å; I44-A54 HydrophobicContact CD1-CB 4.24Å; I44-A54 HydrophobicContact CG1-CB 4.5Å; I44-A54 PolarHBondContact N-O 2.79Å; I44-A54 PolarHBondContact O-N 2.88Å; I44-I80 HydrophobicContact CD1-CD1 4.29Å; I44-I80 HydrophobicContact CD1-CG1 3.93Å; I44-I80 HydrophobicContact CG1-CD1 4.14Å; I44-I80 HydrophobicContact CG1-CG1 3.94Å; I44-A84 HydrophobicContact CD1-CB 3.45Å; I44-A84 VanDerWaalsContact CD1-CB 3.45Å; I44-I89 HydrophobicContact CG2-CD1 4.1Å
45	I	96.2	Very high	94.4	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.3	-169.4	-57.1	169	0	0	0	109.6	P29 R30 N32 Q43 V51	P29-I45 WeakPolarHBondContact CB-O 3.29Å; R30-I45 PolarHBondContact N-O 2.84Å; R30-I45 PolarHBondContact O-N 3.45Å; N32-I45 HydrophobicContact CB-CD1 4.21Å; Q43-I45 HydrophobicContact CB-CD1 4.06Å; Q43-I45 HydrophobicContact CB-CG1 4.01Å; I45-V51 WeakPolarHBondContact CA-O 3.47Å
46	D	95.6	Very high	94.5	Very high	5 Å²	5	59 Å²	59	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.9	162.8	176.6	1	0	0	0	108	N48 G50 V51 L53	D46-N48 VanDerWaalsContact C-N 3.29Å; D46-N48 PolarHBondContact O-N 3.33Å; D46-N48 WeakPolarHBondContact OD1-CB 3.42Å; D46-N48 PolarHBondContact OD1-N 2.72Å; D46-G50 WeakPolarHBondContact O-CA 3.29Å; D46-G50 PolarHBondContact O-N 2.97Å; D46-V51 PolarHBondContact N-O 2.85Å; D46-V51 PolarHBondContact O-N 3.31Å; D46-L53 HydrophobicContact CB-CD1 4.32Å; D46-L53 HydrophobicContact CB-CG 4.46Å
47	D	92.3	Very high	94.5	Very high	42 Å²	42	58.1 Å²	58.1	23%	0.225	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.9	-176.5	-63.6	-40.7	0	0	0	112.2	R19 G24 R30	R19-D47 IonicContact CZ-OD1 3.44Å; R19-D47 IonicContact CZ-OD2 2.63Å; R19-D47 VanDerWaalsContact CZ-OD2 3.26Å; R19-D47 IonicContact NH1-OD1 3.52Å; R19-D47 IonicContact NH1-OD2 3.29Å; R19-D47 PolarHBondContact NH1-OD2 3.31Å; R19-D47 IonicContact NH2-OD1 3.13Å; R19-D47 PolarHBondContact NH2-OD1 3.05Å; R19-D47 VanDerWaalsContact NH2-OD1 3.13Å; R19-D47 IonicContact NH2-OD2 2.88Å; R19-D47 PolarHBondContact NH2-OD2 3.07Å; G24-D47 PolarHBondContact N-OD2 3.15Å; G24-D47 VanDerWaalsContact O-CB 3.28Å; G24-D47 WeakPolarHBondContact O-CB 3.29Å; G24-D47 PolarHBondContact O-N 3.22Å; R30-D47 IonicContact CZ-OD1 3.46Å; R30-D47 IonicContact NE-OD1 3.26Å; R30-D47 PolarHBondContact NE-OD1 2.93Å; R30-D47 IonicContact NE-OD2 3.16Å; R30-D47 PolarHBondContact NE-OD2 3.48Å; R30-D47 VanDerWaalsContact NE-OD2 3.16Å; R30-D47 IonicContact NH2-OD1 2.76Å; R30-D47 PolarHBondContact NH2-OD1 3.24Å
48	N	91.8	Very high	94.6	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.1	178.4	-68.6	-20.3	0	0	0	111.2	D46	D46-N48 VanDerWaalsContact C-N 3.29Å; D46-N48 PolarHBondContact O-N 3.33Å; D46-N48 WeakPolarHBondContact OD1-CB 3.42Å; D46-N48 PolarHBondContact OD1-N 2.72Å
49	K	92.9	Very high	94.6	Very high	159 Å²	159	49.5 Å²	49.5	69%	0.691	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-16.9	177.5	-64.4	-179.8	-177.7	173.8	0	112.9	V51	K49-V51 VanDerWaalsContact C-N 3.27Å; K49-V51 HydrophobicContact CB-CB 4.32Å; K49-V51 HydrophobicContact CB-CG2 3.91Å; K49-V51 PolarHBondContact O-N 2.71Å
50	G	92.3	Very high	94.4	Very high	60 Å²	60	49.2 Å²	49.2	62%	0.619	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	26.3	-172.4	0	0	0	0	0	113.2	D46	D46-G50 WeakPolarHBondContact O-CA 3.29Å; D46-G50 PolarHBondContact O-N 2.97Å
51	V	95	Very high	94	Very high	75 Å²	75	54 Å²	54	46%	0.455	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.4	-173.5	178	0	0	0	0	110.4	I45 D46 K49	I45-V51 WeakPolarHBondContact CA-O 3.47Å; D46-V51 PolarHBondContact N-O 2.85Å; D46-V51 PolarHBondContact O-N 3.31Å; K49-V51 VanDerWaalsContact C-N 3.27Å; K49-V51 HydrophobicContact CB-CB 4.32Å; K49-V51 HydrophobicContact CB-CG2 3.91Å; K49-V51 PolarHBondContact O-N 2.71Å
52	T	95.9	Very high	93.3	Very high	58 Å²	58	57.4 Å²	57.4	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.1	171	-58.2	0	0	0	0	109.4	Q43 I44 A54 Q55	Q43-T52 HydrophobicContact CB-CG2 4.17Å; Q43-T52 HydrophobicContact CG-CG2 4.27Å; I44-T52 CarbonylContact O-C 3.53Å; I44-T52 WeakPolarHBondContact O-CA 3.45Å; T52-A54 WeakPolarHBondContact CG2-O 3.47Å; T52-Q55 HydrophobicContact CG2-CB 4.29Å
53	L	94.1	Very high	92.7	Very high	48 Å²	48	57.8 Å²	57.8	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-48.1	178.2	-58	178.6	0	0	0	110.4	P29 I44 D46 K87 I89	P29-L53 HydrophobicContact CB-CD1 3.87Å; P29-L53 HydrophobicContact CG-CD1 4Å; I44-L53 HydrophobicContact CG2-CB 4.24Å; I44-L53 HydrophobicContact CG2-CD1 4.4Å; I44-L53 PolarHBondContact O-N 3.16Å; D46-L53 HydrophobicContact CB-CD1 4.32Å; D46-L53 HydrophobicContact CB-CG 4.46Å; L53-K87 WeakPolarHBondContact O-CD 3.24Å; L53-K87 WeakPolarHBondContact O-CE 3.5Å; L53-K87 PolarHBondContact O-NZ 3.08Å; L53-I89 HydrophobicContact CB-CD1 3.84Å; L53-I89 HydrophobicContact CD1-CD1 3.63Å; L53-I89 HydrophobicContact CG-CD1 4.38Å
54	A	94.6	Very high	91.7	Very high	6 Å²	6	57.4 Å²	57.4	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.7	178.5	0	0	0	0	0	110.9	Q43 I44 T52 I80 K83 K87	Q43-A54 CarbonylContact C-O 3.57Å; Q43-A54 WeakPolarHBondContact CA-O 3.39Å; I44-A54 HydrophobicContact CB-CB 4.26Å; I44-A54 HydrophobicContact CD1-CB 4.24Å; I44-A54 HydrophobicContact CG1-CB 4.5Å; I44-A54 PolarHBondContact N-O 2.79Å; I44-A54 PolarHBondContact O-N 2.88Å; T52-A54 WeakPolarHBondContact CG2-O 3.47Å; A54-I80 HydrophobicContact CB-CD1 3.83Å; A54-K83 HydrophobicContact CB-CB 4.08Å; A54-K87 HydrophobicContact CB-CD 4.5Å
55	Q	95.9	Very high	91	Very high	118 Å²	118	61 Å²	61	55%	0.551	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.4	177.4	66.3	180	10.9	0	0	111.8	A42 Q43 T52 K83	A42-Q55 WeakPolarHBondContact O-CA 3.4Å; Q43-Q55 HydrophobicContact CG-CB 4.15Å; T52-Q55 HydrophobicContact CG2-CB 4.29Å; Q55-K83 WeakPolarHBondContact O-CD 3.48Å; Q55-K83 PolarHBondContact O-NZ 3.28Å
56	A	95.9	Very high	90.2	Very high	3 Å²	3	67.3 Å²	67.3	3%	0.025	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.6	173.2	0	0	0	0	0	110	A42 D60 V76 A79 I80	A42-A56 PolarHBondContact N-O 3.13Å; A42-A56 PolarHBondContact O-N 3.26Å; A56-D60 WeakPolarHBondContact CA-OD2 3.33Å; A56-V76 HydrophobicContact CB-CG1 4.15Å; A56-A79 HydrophobicContact CB-CB 4.1Å; A56-I80 HydrophobicContact CB-CB 3.96Å; A56-I80 HydrophobicContact CB-CD1 4.2Å
57	S	95.1	Very high	89.6	Confident	12 Å²	12	68.5 Å²	68.5	8%	0.084	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150	178.8	88.7	0	0	0	0	112.6	K59 D60 I63	S57-K59 PolarHBondContact O-N 2.76Å; S57-K59 WeakPolarHBondContact OG-CB 3.36Å; S57-K59 PolarHBondContact OG-N 2.98Å; S57-K59 VanDerWaalsContact OG-N 3.11Å; S57-D60 PolarHBondContact N-OD2 3.23Å; S57-D60 WeakPolarHBondContact O-CB 3.48Å; S57-D60 VanDerWaalsContact O-CG 3.3Å; S57-D60 PolarHBondContact O-N 3.46Å; S57-D60 PolarHBondContact OG-N 3.2Å; S57-D60 PolarHBondContact OG-OD1 2.87Å; S57-I63 WeakPolarHBondContact O-CD1 3.34Å
58	S	93.4	Very high	89.6	Confident	4 Å²	4	69.9 Å²	69.9	3%	0.028	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	1.4	169.6	58.3	0	0	0	0	114.1	H39 I40 V76	H39-S58 VanDerWaalsContact CA-OG 3.23Å; H39-S58 WeakPolarHBondContact CA-OG 3.31Å; H39-S58 VanDerWaalsContact CB-OG 3.25Å; H39-S58 WeakPolarHBondContact CB-OG 3.42Å; I40-S58 PolarHBondContact N-OG 2.81Å; I40-S58 PolarHBondContact O-N 2.88Å; I40-S58 PolarHBondContact O-OG 3.29Å; I40-S58 VanDerWaalsContact O-OG 3.11Å; S58-V76 VanDerWaalsContact N-CG2 3.33Å
59	K	91.7	Very high	89.6	Confident	121 Å²	121	69.4 Å²	69.4	53%	0.526	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.1	171.1	-71.7	-165.9	174.2	-173.9	0	112.8	H39 Y41 S57	H39-K59 HydrophobicContact CB-CG 4.43Å; H39-K59 WeakPolarHBondContact CD2-CE 3.41Å; H39-K59 WeakPolarHBondContact ND1-CG 3.25Å; H39-K59 VanDerWaalsContact NE2-CE 3.27Å; H39-K59 WeakPolarHBondContact NE2-CE 3.31Å; Y41-K59 WeakPolarHBondContact OH-CD 3.43Å; Y41-K59 WeakPolarHBondContact OH-CE 3.44Å; S57-K59 PolarHBondContact O-N 2.76Å; S57-K59 WeakPolarHBondContact OG-CB 3.36Å; S57-K59 PolarHBondContact OG-N 2.98Å; S57-K59 VanDerWaalsContact OG-N 3.11Å
60	D	89.7	Confident	89.6	Confident	45 Å²	45	65.2 Å²	65.2	24%	0.241	39%	0.389	C	S	.	.	S	Bend	trans	-63.8	138	179.4	-59	-9.9	0	0	0	108.2	A56 S57 D62 I63 A64 K83	A56-D60 WeakPolarHBondContact CA-OD2 3.33Å; S57-D60 PolarHBondContact N-OD2 3.23Å; S57-D60 WeakPolarHBondContact O-CB 3.48Å; S57-D60 VanDerWaalsContact O-CG 3.3Å; S57-D60 PolarHBondContact O-N 3.46Å; S57-D60 PolarHBondContact OG-N 3.2Å; S57-D60 PolarHBondContact OG-OD1 2.87Å; D60-D62 PolarHBondContact O-N 2.8Å; D60-D62 VanDerWaalsContact O-N 3.09Å; D60-I63 HydrophobicContact CB-CD1 4.25Å; D60-I63 PolarHBondContact O-N 2.98Å; D60-A64 VanDerWaalsContact O-CB 3.27Å; D60-A64 WeakPolarHBondContact O-CB 3.47Å; D60-A64 PolarHBondContact O-N 2.92Å; D60-K83 IonicContact OD2-NZ 3.59Å
61	S	85.5	Confident	89.7	Confident	100 Å²	100	66.7 Å²	66.7	70%	0.699	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-38.4	-175.4	45.2	0	0	0	0	112.8	I63	S61-I63 PolarHBondContact O-N 3.23Å
62	D	83.3	Confident	89.6	Confident	139 Å²	139	64.1 Å²	64.1	74%	0.743	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.6	-173.7	-45.2	-24.6	0	0	0	112.1	D60	D60-D62 PolarHBondContact O-N 2.8Å; D60-D62 VanDerWaalsContact O-N 3.09Å
63	I	82.6	Confident	89.6	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.051	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-27.9	-176.9	-59	171.3	0	0	0	111.3	S57 D60 S61 T65 L72 K75 V76 A79	S57-I63 WeakPolarHBondContact O-CD1 3.34Å; D60-I63 HydrophobicContact CB-CD1 4.25Å; D60-I63 PolarHBondContact O-N 2.98Å; S61-I63 PolarHBondContact O-N 3.23Å; I63-T65 PolarHBondContact O-N 2.93Å; I63-T65 PolarHBondContact O-OG1 3.02Å; I63-L72 HydrophobicContact CG2-CD2 4.4Å; I63-L72 WeakPolarHBondContact O-CD2 3.49Å; I63-K75 HydrophobicContact CG2-CB 3.81Å; I63-K75 HydrophobicContact CG2-CD 4.45Å; I63-V76 HydrophobicContact CD1-CG2 4.14Å; I63-V76 HydrophobicContact CG2-CG2 4Å; I63-A79 HydrophobicContact CD1-CB 3.57Å; I63-A79 HydrophobicContact CG1-CB 4.35Å
64	A	76	Confident	89.6	Confident	59 Å²	59	61 Å²	61	49%	0.488	35%	0.346	S	S	.	.			trans	-68.8	71.5	-174.9	0	0	0	0	0	111.9	D60	D60-A64 VanDerWaalsContact O-CB 3.27Å; D60-A64 WeakPolarHBondContact O-CB 3.47Å; D60-A64 PolarHBondContact O-N 2.92Å
65	T	81	Confident	89.6	Confident	75 Å²	75	64.1 Å²	64.1	46%	0.46	36%	0.358	S	S	.	.			trans	-106.5	156.4	173.7	-39.8	0	0	0	0	110	I63 A67 K75	I63-T65 PolarHBondContact O-N 2.93Å; I63-T65 PolarHBondContact O-OG1 3.02Å; T65-A67 PolarHBondContact O-N 2.95Å; T65-K75 PolarHBondContact OG1-NZ 3.49Å; T65-K75 VanDerWaalsContact OG1-NZ 3.08Å
66	T	78.9	Confident	89.6	Confident	151 Å²	151	58.5 Å²	58.5	93%	0.926	33%	0.332	S	S	*	.	S	Bend	trans	-66.7	95.2	166.2	-52.2	0	0	0	0	109.3
67	A	84	Confident	89.6	Confident	29 Å²	29	58.3 Å²	58.3	24%	0.24	33%	0.331	C	S	.	.			trans	-145.1	163.9	-176.3	0	0	0	0	0	110.4	T65 E71 L72	T65-A67 PolarHBondContact O-N 2.95Å; A67-E71 WeakPolarHBondContact CA-OE2 3.26Å; A67-E71 HydrophobicContact CB-CB 3.96Å; A67-E71 WeakPolarHBondContact CB-OE2 3.43Å; A67-L72 HydrophobicContact CB-CD2 4.1Å; A67-L72 HydrophobicContact CB-CG 4.09Å
68	T	91.5	Very high	89.6	Confident	72 Å²	72	61.3 Å²	61.3	44%	0.442	34%	0.343	S	S	.	.			trans	-65.7	158.6	175.6	70.1	0	0	0	0	110.9	V70 E71 L72	T68-V70 PolarHBondContact O-N 3.48Å; T68-V70 VanDerWaalsContact O-N 3.09Å; T68-E71 WeakPolarHBondContact CB-OE1 3.33Å; T68-E71 VanDerWaalsContact CG2-OE1 3.24Å; T68-E71 WeakPolarHBondContact CG2-OE1 3.35Å; T68-E71 PolarHBondContact N-OE2 3.17Å; T68-E71 PolarHBondContact O-N 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.46Å; T68-E71 PolarHBondContact OG1-N 3.26Å; T68-E71 PolarHBondContact OG1-OE1 3.13Å; T68-L72 WeakPolarHBondContact O-CG 3.47Å; T68-L72 PolarHBondContact O-N 3.1Å
69	K	92.4	Very high	89.7	Confident	114 Å²	114	62.1 Å²	62.1	50%	0.496	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.5	179.3	-69	-173.7	-172.6	-178.9	0	113.5	N37 R104	N37-K69 PolarHBondContact O-NZ 3.12Å; K69-R104 HydrophobicContact CB-CG 4.4Å; K69-R104 WeakPolarHBondContact O-CG 3.49Å; K69-R104 PolarHBondContact O-NE 3.41Å
70	V	93.7	Very high	89.8	Confident	71 Å²	71	56.3 Å²	56.3	43%	0.43	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-47	177.6	179.7	0	0	0	0	109.6	T68 L72 A73 T74 R104 A107	T68-V70 PolarHBondContact O-N 3.48Å; T68-V70 VanDerWaalsContact O-N 3.09Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.95Å; V70-A73 CarbonylContact O-C 3.6Å; V70-A73 WeakPolarHBondContact O-CA 3.46Å; V70-A73 VanDerWaalsContact O-CB 3.27Å; V70-A73 WeakPolarHBondContact O-CB 3.46Å; V70-A73 PolarHBondContact O-N 3.09Å; V70-T74 PolarHBondContact O-N 2.82Å; V70-R104 HydrophobicContact CG2-CG 4.36Å; V70-A107 HydrophobicContact CG1-CB 3.73Å
71	E	93.1	Very high	90.1	Very high	91 Å²	91	54.2 Å²	54.2	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-39.7	172.5	-73.4	150.8	-137	0	0	112.7	A67 T68 A73 T74 K75	A67-E71 WeakPolarHBondContact CA-OE2 3.26Å; A67-E71 HydrophobicContact CB-CB 3.96Å; A67-E71 WeakPolarHBondContact CB-OE2 3.43Å; T68-E71 WeakPolarHBondContact CB-OE1 3.33Å; T68-E71 VanDerWaalsContact CG2-OE1 3.24Å; T68-E71 WeakPolarHBondContact CG2-OE1 3.35Å; T68-E71 PolarHBondContact N-OE2 3.17Å; T68-E71 PolarHBondContact O-N 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.46Å; T68-E71 PolarHBondContact OG1-N 3.26Å; T68-E71 PolarHBondContact OG1-OE1 3.13Å; E71-A73 PolarHBondContact O-N 3.33Å; E71-T74 WeakPolarHBondContact CA-OG1 3.15Å; E71-T74 PolarHBondContact O-N 3.47Å; E71-T74 PolarHBondContact O-OG1 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.27Å; E71-K75 PolarHBondContact O-N 3.28Å
72	L	93.8	Very high	90.5	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-28.2	172.7	-71.8	176.7	0	0	0	112	I63 A67 T68 V70 V76	I63-L72 HydrophobicContact CG2-CD2 4.4Å; I63-L72 WeakPolarHBondContact O-CD2 3.49Å; A67-L72 HydrophobicContact CB-CD2 4.1Å; A67-L72 HydrophobicContact CB-CG 4.09Å; T68-L72 WeakPolarHBondContact O-CG 3.47Å; T68-L72 PolarHBondContact O-N 3.1Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.95Å; L72-V76 WeakPolarHBondContact O-CG2 3.3Å; L72-V76 PolarHBondContact O-N 3.03Å
73	A	94.7	Very high	91.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-77.5	-37.1	177	0	0	0	0	0	112.1	I40 V70 E71 V76 G77 R104 A107 L108	I40-A73 HydrophobicContact CD1-CB 3.96Å; I40-A73 HydrophobicContact CG2-CB 4.26Å; V70-A73 CarbonylContact O-C 3.6Å; V70-A73 WeakPolarHBondContact O-CA 3.46Å; V70-A73 VanDerWaalsContact O-CB 3.27Å; V70-A73 WeakPolarHBondContact O-CB 3.46Å; V70-A73 PolarHBondContact O-N 3.09Å; E71-A73 PolarHBondContact O-N 3.33Å; A73-V76 PolarHBondContact O-N 3.05Å; A73-G77 PolarHBondContact O-N 3.11Å; A73-R104 HydrophobicContact CB-CB 4Å; A73-R104 WeakPolarHBondContact CB-O 3.37Å; A73-A107 HydrophobicContact CB-CB 4.45Å; A73-L108 HydrophobicContact CB-CB 4.35Å; A73-L108 WeakPolarHBondContact O-CA 3.5Å
74	T	95.2	Very high	91.6	Very high	42 Å²	42	52 Å²	52	26%	0.258	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-48.6	173.9	58	0	0	0	0	110.6	V70 E71 V76 G77 E78 A107 A111	V70-T74 PolarHBondContact O-N 2.82Å; E71-T74 WeakPolarHBondContact CA-OG1 3.15Å; E71-T74 PolarHBondContact O-N 3.47Å; E71-T74 PolarHBondContact O-OG1 3.41Å; T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 PolarHBondContact O-N 2.78Å; T74-G77 CarbonylContact O-C 3.6Å; T74-G77 WeakPolarHBondContact O-CA 3.36Å; T74-G77 PolarHBondContact O-N 3.1Å; T74-E78 PolarHBondContact O-N 2.76Å; T74-A107 HydrophobicContact CG2-CB 3.85Å; T74-A111 HydrophobicContact CG2-CB 4.45Å; T74-A111 VanDerWaalsContact O-CB 3.31Å; T74-A111 WeakPolarHBondContact O-CB 3.23Å
75	K	94.7	Very high	92.4	Very high	70 Å²	70	52.2 Å²	52.2	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-39.3	175.8	-69.9	-175.3	178.9	-172.7	0	113.2	I63 T65 E71 G77 A79	I63-K75 HydrophobicContact CG2-CB 3.81Å; I63-K75 HydrophobicContact CG2-CD 4.45Å; T65-K75 PolarHBondContact OG1-NZ 3.49Å; T65-K75 VanDerWaalsContact OG1-NZ 3.08Å; E71-K75 WeakPolarHBondContact O-CG 3.27Å; E71-K75 PolarHBondContact O-N 3.28Å; K75-G77 VanDerWaalsContact C-N 3.34Å; K75-A79 VanDerWaalsContact O-CB 3.26Å; K75-A79 WeakPolarHBondContact O-CB 3.48Å; K75-A79 PolarHBondContact O-N 2.62Å
76	V	95.8	Very high	93	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-38	174.2	170	0	0	0	0	111.5	I40 A42 A56 S58 I63 L72 A73 T74 A79 I80 L108	I40-V76 HydrophobicContact CG2-CB 4.36Å; I40-V76 HydrophobicContact CG2-CG2 4.02Å; A42-V76 HydrophobicContact CB-CG1 3.76Å; A56-V76 HydrophobicContact CB-CG1 4.15Å; S58-V76 VanDerWaalsContact N-CG2 3.33Å; I63-V76 HydrophobicContact CD1-CG2 4.14Å; I63-V76 HydrophobicContact CG2-CG2 4Å; L72-V76 WeakPolarHBondContact O-CG2 3.3Å; L72-V76 PolarHBondContact O-N 3.03Å; A73-V76 PolarHBondContact O-N 3.05Å; T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 PolarHBondContact O-N 2.78Å; V76-A79 PolarHBondContact O-N 3.1Å; V76-I80 WeakPolarHBondContact O-CB 3.01Å; V76-I80 WeakPolarHBondContact O-CG2 3.25Å; V76-I80 PolarHBondContact O-N 3.44Å; V76-L108 HydrophobicContact CB-CD1 4.42Å; V76-L108 HydrophobicContact CG1-CD1 3.85Å
77	G	95.5	Very high	93.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-45.7	174.8	0	0	0	0	0	112.9	A73 T74 K75 I80 A81	A73-G77 PolarHBondContact O-N 3.11Å; T74-G77 CarbonylContact O-C 3.6Å; T74-G77 WeakPolarHBondContact O-CA 3.36Å; T74-G77 PolarHBondContact O-N 3.1Å; K75-G77 VanDerWaalsContact C-N 3.34Å; G77-I80 VanDerWaalsContact O-CG2 3.24Å; G77-I80 WeakPolarHBondContact O-CG2 3.36Å; G77-A81 WeakPolarHBondContact O-CB 3.46Å; G77-A81 PolarHBondContact O-N 2.79Å; G77-A81 VanDerWaalsContact O-N 3.14Å
78	E	95	Very high	94	Very high	75 Å²	75	55.9 Å²	55.9	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-44.8	174.8	-65.8	170.9	-154.1	0	0	111.7	T74 I80 A81 K82 A111	T74-E78 PolarHBondContact O-N 2.76Å; E78-I80 PolarHBondContact O-N 2.82Å; E78-A81 PolarHBondContact O-N 3.22Å; E78-K82 WeakPolarHBondContact O-CG 3.47Å; E78-K82 PolarHBondContact O-N 3.08Å; E78-A111 HydrophobicContact CG-CB 4.22Å
79	A	95.2	Very high	94	Very high	20 Å²	20	53.5 Å²	53.5	17%	0.165	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-38.9	-178.1	0	0	0	0	0	112.6	A56 I63 K75 V76 K83	A56-A79 HydrophobicContact CB-CB 4.1Å; I63-A79 HydrophobicContact CD1-CB 3.57Å; I63-A79 HydrophobicContact CG1-CB 4.35Å; K75-A79 VanDerWaalsContact O-CB 3.26Å; K75-A79 WeakPolarHBondContact O-CB 3.48Å; K75-A79 PolarHBondContact O-N 2.62Å; V76-A79 PolarHBondContact O-N 3.1Å; A79-K83 WeakPolarHBondContact O-CB 3.4Å; A79-K83 VanDerWaalsContact O-CG 3.3Å; A79-K83 WeakPolarHBondContact O-CG 3.38Å; A79-K83 PolarHBondContact O-N 3.25Å; A79-K83 VanDerWaalsContact O-N 3.12Å
80	I	95.3	Very high	94	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.4	-36.7	176.7	-166.2	65	0	0	0	111.3	L31 A42 I44 A54 A56 V76 G77 E78 K83 A84	L31-I80 HydrophobicContact CD1-CG1 3.89Å; L31-I80 HydrophobicContact CD1-CG2 4.36Å; A42-I80 HydrophobicContact CB-CB 4.19Å; A42-I80 HydrophobicContact CB-CG1 4.16Å; A42-I80 HydrophobicContact CB-CG2 4.28Å; I44-I80 HydrophobicContact CD1-CD1 4.29Å; I44-I80 HydrophobicContact CD1-CG1 3.93Å; I44-I80 HydrophobicContact CG1-CD1 4.14Å; I44-I80 HydrophobicContact CG1-CG1 3.94Å; A54-I80 HydrophobicContact CB-CD1 3.83Å; A56-I80 HydrophobicContact CB-CB 3.96Å; A56-I80 HydrophobicContact CB-CD1 4.2Å; V76-I80 WeakPolarHBondContact O-CB 3.01Å; V76-I80 WeakPolarHBondContact O-CG2 3.25Å; V76-I80 PolarHBondContact O-N 3.44Å; G77-I80 VanDerWaalsContact O-CG2 3.24Å; G77-I80 WeakPolarHBondContact O-CG2 3.36Å; E78-I80 PolarHBondContact O-N 2.82Å; I80-K83 PolarHBondContact O-N 2.91Å; I80-A84 VanDerWaalsContact O-CB 3.29Å; I80-A84 WeakPolarHBondContact O-CB 3.18Å; I80-A84 PolarHBondContact O-N 3.39Å
81	A	95	Very high	94	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-44.7	176.8	0	0	0	0	0	112.3	G77 E78 K83 A84 A85 L117	G77-A81 WeakPolarHBondContact O-CB 3.46Å; G77-A81 PolarHBondContact O-N 2.79Å; G77-A81 VanDerWaalsContact O-N 3.14Å; E78-A81 PolarHBondContact O-N 3.22Å; A81-K83 PolarHBondContact O-N 3.46Å; A81-A84 WeakPolarHBondContact O-CB 3.45Å; A81-A84 PolarHBondContact O-N 3.43Å; A81-A84 VanDerWaalsContact O-N 3.13Å; A81-A85 WeakPolarHBondContact O-CB 3.44Å; A81-A85 PolarHBondContact O-N 3.48Å; A81-L117 HydrophobicContact CB-CD1 3.78Å; A81-L117 HydrophobicContact CB-CG 3.91Å
82	K	94.6	Very high	94.1	Very high	128 Å²	128	51.8 Å²	51.8	56%	0.557	27%	0.274	S	S	*	.	H	α-helix	trans	-58.1	-50	173.6	-71.3	174	-177.7	173.5	0	111.6	E78 A84 A85 D86	E78-K82 WeakPolarHBondContact O-CG 3.47Å; E78-K82 PolarHBondContact O-N 3.08Å; K82-A84 PolarHBondContact O-N 2.85Å; K82-A85 PolarHBondContact O-N 2.76Å; K82-A85 VanDerWaalsContact O-N 3.15Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.29Å
83	K	94.6	Very high	94.2	Very high	74 Å²	74	52.5 Å²	52.5	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-28.2	176.7	-72.5	173.8	174.2	173.3	0	113.4	A54 Q55 D60 A79 I80 A81 K87	A54-K83 HydrophobicContact CB-CB 4.08Å; Q55-K83 WeakPolarHBondContact O-CD 3.48Å; Q55-K83 PolarHBondContact O-NZ 3.28Å; D60-K83 IonicContact OD2-NZ 3.59Å; A79-K83 WeakPolarHBondContact O-CB 3.4Å; A79-K83 VanDerWaalsContact O-CG 3.3Å; A79-K83 WeakPolarHBondContact O-CG 3.38Å; A79-K83 PolarHBondContact O-N 3.25Å; A79-K83 VanDerWaalsContact O-N 3.12Å; I80-K83 PolarHBondContact O-N 2.91Å; A81-K83 PolarHBondContact O-N 3.46Å; K83-K87 WeakPolarHBondContact O-CG 3.5Å
84	A	94.3	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-75.6	-44	175.4	0	0	0	0	0	111.4	I44 I80 A81 K82 D86 K87 G88 I89 L117	I44-A84 HydrophobicContact CD1-CB 3.45Å; I44-A84 VanDerWaalsContact CD1-CB 3.45Å; I80-A84 VanDerWaalsContact O-CB 3.29Å; I80-A84 WeakPolarHBondContact O-CB 3.18Å; I80-A84 PolarHBondContact O-N 3.39Å; A81-A84 WeakPolarHBondContact O-CB 3.45Å; A81-A84 PolarHBondContact O-N 3.43Å; A81-A84 VanDerWaalsContact O-N 3.13Å; K82-A84 PolarHBondContact O-N 2.85Å; A84-D86 VanDerWaalsContact C-N 3.34Å; A84-D86 PolarHBondContact O-N 3.03Å; A84-K87 CarbonylContact O-C 3.56Å; A84-K87 WeakPolarHBondContact O-CA 3.5Å; A84-K87 PolarHBondContact O-N 3.3Å; A84-G88 PolarHBondContact O-N 3.09Å; A84-G88 VanDerWaalsContact O-N 3.16Å; A84-I89 HydrophobicContact CB-CB 4.19Å; A84-I89 PolarHBondContact O-N 3.4Å; A84-L117 HydrophobicContact CB-CD1 4.36Å; A84-L117 HydrophobicContact CB-CD2 3.73Å; A84-L117 HydrophobicContact CB-CG 4.41Å
85	A	92.9	Very high	94.3	Very high	63 Å²	63	52.2 Å²	52.2	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-41.4	176	0	0	0	0	0	111.8	A81 K82 K87 G88	A81-A85 WeakPolarHBondContact O-CB 3.44Å; A81-A85 PolarHBondContact O-N 3.48Å; K82-A85 PolarHBondContact O-N 2.76Å; K82-A85 VanDerWaalsContact O-N 3.15Å; A85-K87 PolarHBondContact O-N 3.22Å; A85-K87 VanDerWaalsContact O-N 3.15Å; A85-G88 PolarHBondContact O-N 2.9Å
86	D	92.9	Very high	94.2	Very high	140 Å²	140	53.8 Å²	53.8	75%	0.749	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.2	174	-64.5	-25.4	0	0	0	112.6	K82 A84	K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.29Å; A84-D86 VanDerWaalsContact C-N 3.34Å; A84-D86 PolarHBondContact O-N 3.03Å
87	K	91.9	Very high	94.1	Very high	129 Å²	129	53.8 Å²	53.8	56%	0.561	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	4.9	175.8	-65	-171.8	-178.3	-137.9	0	113.4	L53 A54 K83 A84 A85 I89	L53-K87 WeakPolarHBondContact O-CD 3.24Å; L53-K87 WeakPolarHBondContact O-CE 3.5Å; L53-K87 PolarHBondContact O-NZ 3.08Å; A54-K87 HydrophobicContact CB-CD 4.5Å; K83-K87 WeakPolarHBondContact O-CG 3.5Å; A84-K87 CarbonylContact O-C 3.56Å; A84-K87 WeakPolarHBondContact O-CA 3.5Å; A84-K87 PolarHBondContact O-N 3.3Å; A85-K87 PolarHBondContact O-N 3.22Å; A85-K87 VanDerWaalsContact O-N 3.15Å; K87-I89 VanDerWaalsContact C-N 3.3Å; K87-I89 HydrophobicContact CB-CD1 4.08Å; K87-I89 HydrophobicContact CB-CG1 4.18Å; K87-I89 PolarHBondContact O-N 2.9Å
88	G	91.5	Very high	94	Very high	64 Å²	64	54 Å²	54	66%	0.66	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	18.7	-178.6	0	0	0	0	0	114.7	A84 A85	A84-G88 PolarHBondContact O-N 3.09Å; A84-G88 VanDerWaalsContact O-N 3.16Å; A85-G88 PolarHBondContact O-N 2.9Å
89	I	92.2	Very high	94.1	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.108	27%	0.267	C	S	.	.			trans	-91.8	116.3	-180	-55.5	169	0	0	0	108.8	P29 I44 L53 A84 K87 I92	P29-I89 HydrophobicContact CG-CD1 4.3Å; P29-I89 HydrophobicContact CG-CG2 3.61Å; I44-I89 HydrophobicContact CG2-CD1 4.1Å; L53-I89 HydrophobicContact CB-CD1 3.84Å; L53-I89 HydrophobicContact CD1-CD1 3.63Å; L53-I89 HydrophobicContact CG-CD1 4.38Å; A84-I89 HydrophobicContact CB-CB 4.19Å; A84-I89 PolarHBondContact O-N 3.4Å; K87-I89 VanDerWaalsContact C-N 3.3Å; K87-I89 HydrophobicContact CB-CD1 4.08Å; K87-I89 HydrophobicContact CB-CG1 4.18Å; K87-I89 PolarHBondContact O-N 2.9Å; I89-I92 HydrophobicContact CG2-CG2 3.59Å
90	K	91.3	Very high	94.1	Very high	150 Å²	150	57.1 Å²	57.1	65%	0.652	29%	0.294	S	S	*	.			trans	-107.3	-51.8	177.3	-65.3	-175.2	178.5	-177.6	0	112.1	E118	K90-E118 PolarHBondContact O-N 3.22Å
91	E	94.1	Very high	94.1	Very high	83 Å²	83	61.1 Å²	61.1	39%	0.388	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-92.3	131.1	-178	-65.2	-175.9	-146.4	0	0	110.7	K28 P29 E118	K28-E91 WeakPolarHBondContact CE-OE2 3.33Å; K28-E91 HydrophobicContact CG-CB 4.19Å; K28-E91 IonicContact NZ-OE2 2.82Å; K28-E91 PolarHBondContact NZ-OE2 2.93Å; P29-E91 WeakPolarHBondContact CD-O 3.34Å; E91-E118 HydrophobicContact CG-CB 4.38Å
92	I	95.4	Very high	94.1	Very high	8 Å²	8	67.6 Å²	67.6	4%	0.041	34%	0.34	C	S	.	.			trans	-139.1	167	178.9	56.7	157	0	0	0	111	P29 L31 I89 L117 E118 F119	P29-I92 HydrophobicContact CG-CG2 4.1Å; P29-I92 CarbonylContact O-C 3.53Å; P29-I92 VanDerWaalsContact O-CA 3.24Å; P29-I92 WeakPolarHBondContact O-CA 3.47Å; P29-I92 VanDerWaalsContact O-CB 3.26Å; P29-I92 WeakPolarHBondContact O-CB 3.45Å; L31-I92 HydrophobicContact CB-CD1 3.43Å; L31-I92 VanDerWaalsContact CB-CD1 3.43Å; L31-I92 HydrophobicContact CD2-CD1 3.49Å; L31-I92 VanDerWaalsContact CD2-CD1 3.49Å; L31-I92 HydrophobicContact CG-CD1 4.05Å; I89-I92 HydrophobicContact CG2-CG2 3.59Å; I92-L117 HydrophobicContact CD1-CB 4.23Å; I92-L117 HydrophobicContact CD1-CD1 3.86Å; I92-L117 HydrophobicContact CD1-CD2 4.35Å; I92-L117 HydrophobicContact CD1-CG 4.4Å; I92-L117 HydrophobicContact CG1-CB 4.4Å; I92-L117 HydrophobicContact CG1-CD2 4.33Å; I92-L117 HydrophobicContact CG2-CD2 4.13Å; I92-E118 PolarHBondContact N-O 3.41Å; I92-E118 VanDerWaalsContact N-O 3.09Å; I92-F119 HydrophobicContact CD1-CD1 3.42Å; I92-F119 VanDerWaalsContact CD1-CD1 3.42Å; I92-F119 HydrophobicContact CD1-CE1 3.78Å; I92-F119 HydrophobicContact CD1-CG 4.08Å; I92-F119 HydrophobicContact CG1-CB 3.93Å; I92-F119 HydrophobicContact CG1-CD1 3.5Å; I92-F119 VanDerWaalsContact CG1-CD1 3.5Å; I92-F119 HydrophobicContact CG1-CE1 4.33Å; I92-F119 HydrophobicContact CG1-CG 3.98Å; I92-F119 VanDerWaalsContact O-CB 3.26Å; I92-F119 WeakPolarHBondContact O-CB 3.33Å
93	V	95.5	Very high	94.2	Very high	35 Å²	35	63.1 Å²	63.1	21%	0.212	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.8	172	179.2	0	0	0	0	109.5	L22 K28 P29 R30 L31 D95	L22-V93 HydrophobicContact CD1-CG1 3.21Å; L22-V93 HydrophobicContact CD2-CG1 4.06Å; L22-V93 HydrophobicContact CG-CG1 3.51Å; K28-V93 HydrophobicContact CB-CG2 4.16Å; P29-V93 PolarHBondContact O-N 3.24Å; R30-V93 CarbonylContact C-O 3.24Å; R30-V93 VanDerWaalsContact CA-O 3.31Å; R30-V93 WeakPolarHBondContact CA-O 3.36Å; L31-V93 PolarHBondContact N-O 2.88Å; V93-D95 PolarHBondContact O-N 3.43Å
94	F	96.2	Very high	94.2	Very high	36 Å²	36	60.6 Å²	60.6	16%	0.158	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115	-176	-175.3	-107	0	0	0	113.7	L31 V33 R96 Y101 V105 L108 A109 F119	L31-F94 HydrophobicContact CD2-CD2 4.01Å; L31-F94 HydrophobicContact CD2-CE2 4.32Å; L31-F94 HydrophobicContact CG-CD2 4.31Å; V33-F94 HydrophobicContact CG2-CE2 3.69Å; V33-F94 HydrophobicContact CG2-CZ 3.97Å; F94-R96 HydrophobicContact CE1-CB 3.98Å; F94-Y101 AromaticContact CE1-CD2 3.95Å; F94-Y101 HydrophobicContact CE1-CD2 3.95Å; F94-Y101 HydrophobicContact CE1-CE2 4.14Å; F94-V105 HydrophobicContact CE1-CG1 4.13Å; F94-V105 HydrophobicContact CZ-CG1 3.75Å; F94-L108 HydrophobicContact CE2-CD2 4.48Å; F94-A109 HydrophobicContact CE1-CB 4.33Å; F94-A109 HydrophobicContact CE2-CB 3.91Å; F94-A109 HydrophobicContact CZ-CB 3.8Å; F94-F119 HydrophobicContact CB-CB 4.49Å; F94-F119 HydrophobicContact CB-CD2 3.38Å; F94-F119 HydrophobicContact CB-CE2 3.77Å; F94-F119 HydrophobicContact CB-CG 4.11Å; F94-F119 HydrophobicContact CD2-CD2 4.19Å; F94-F119 AromaticContact CD2-CE2 3.69Å; F94-F119 HydrophobicContact CD2-CE2 3.69Å; F94-F119 HydrophobicContact CD2-CZ 4.19Å; F94-F119 HydrophobicContact CE2-CE2 4.41Å; F94-F119 AromaticContact CG-CD2 3.9Å; F94-F119 HydrophobicContact CG-CD2 3.9Å; F94-F119 AromaticContact CG-CE2 3.74Å; F94-F119 HydrophobicContact CG-CE2 3.74Å
95	D	95.7	Very high	94.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.8	173.4	-178	3.2	0	0	0	111.4	H15 L22 R30 L31 V33 V93 G97	H15-D95 IonicContact CD2-OD1 3.71Å; H15-D95 IonicContact CD2-OD2 2.71Å; H15-D95 IonicContact CE1-OD2 3.26Å; H15-D95 IonicContact NE2-OD1 2.79Å; H15-D95 PolarHBondContact NE2-OD1 2.96Å; H15-D95 IonicContact NE2-OD2 3.95Å; H15-D95 PolarHBondContact NE2-OD2 2.87Å; L22-D95 HydrophobicContact CD2-CB 3.54Å; R30-D95 HydrophobicContact CG-CB 3.63Å; R30-D95 IonicContact CZ-OD2 3.99Å; R30-D95 IonicContact NH1-OD2 3.81Å; R30-D95 PolarHBondContact NH1-OD2 2.97Å; L31-D95 WeakPolarHBondContact O-CA 3.29Å; L31-D95 WeakPolarHBondContact O-CB 3.31Å; L31-D95 PolarHBondContact O-N 3.13Å; V33-D95 PolarHBondContact N-O 3.2Å; V33-D95 VanDerWaalsContact N-O 3.09Å; V93-D95 PolarHBondContact O-N 3.43Å; D95-G97 PolarHBondContact O-N 3.11Å; D95-G97 PolarHBondContact OD1-N 2.87Å
96	R	94.1	Very high	94.5	Very high	102 Å²	102	61.6 Å²	61.6	39%	0.385	31%	0.311	S	S	.	.			trans	-67.3	1.8	176.6	67	-172.9	180	170.3	-2.3	115	F94 G98 Y99 V105	F94-R96 HydrophobicContact CE1-CB 3.98Å; R96-G98 PolarHBondContact O-N 2.99Å; R96-G98 VanDerWaalsContact O-N 3.1Å; R96-Y99 VanDerWaalsContact CD-O 3.25Å; R96-Y99 WeakPolarHBondContact CD-O 3.36Å; R96-Y99 WeakPolarHBondContact CG-O 3.46Å; R96-Y99 WeakPolarHBondContact O-CB 3.19Å; R96-Y99 VanDerWaalsContact O-CD2 3.25Å; R96-Y99 WeakPolarHBondContact O-CD2 3.47Å; R96-Y99 PolarHBondContact O-N 2.86Å; R96-V105 HydrophobicContact CB-CG1 4.25Å
97	G	93.8	Very high	94.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	22.5	171.8	0	0	0	0	0	115.1	R11 D95 Y99	R11-G97 WeakPolarHBondContact CD-O 3.49Å; R11-G97 WeakPolarHBondContact CG-O 3.49Å; R11-G97 PolarHBondContact NH1-O 2.82Å; D95-G97 PolarHBondContact O-N 3.11Å; D95-G97 PolarHBondContact OD1-N 2.87Å; G97-Y99 VanDerWaalsContact C-N 3.31Å; G97-Y99 PolarHBondContact O-N 2.91Å
98	G	93.6	Very high	94.8	Very high	4 Å²	4	49.2 Å²	49.2	4%	0.041	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	8	-175.9	0	0	0	0	0	115.4	R14 R96	R14-G98 PolarHBondContact NE-O 3.34Å; R14-G98 VanDerWaalsContact NE-O 3.11Å; R96-G98 PolarHBondContact O-N 2.99Å; R96-G98 VanDerWaalsContact O-N 3.1Å
99	Y	96	Very high	95.1	Very high	23 Å²	23	46.2 Å²	46.2	9%	0.09	22%	0.22	C	C	.	.	S	Bend	trans	-87	161.8	169.2	-54.4	-71	0	0	0	110.9	R11 R35 R96 G97 V105	R11-Y99 WeakPolarHBondContact CD-OH 3.38Å; R11-Y99 HydrophobicContact CG-CD1 4.48Å; R11-Y99 HydrophobicContact CG-CE1 4.14Å; R35-Y99 HydrophobicContact CB-CD2 4.34Å; R35-Y99 HydrophobicContact CB-CE1 4.13Å; R35-Y99 HydrophobicContact CB-CE2 3.89Å; R35-Y99 PolarHBondContact N-OH 3.07Å; R35-Y99 PolarHBondContact O-OH 3.2Å; R96-Y99 VanDerWaalsContact CD-O 3.25Å; R96-Y99 WeakPolarHBondContact CD-O 3.36Å; R96-Y99 WeakPolarHBondContact CG-O 3.46Å; R96-Y99 WeakPolarHBondContact O-CB 3.19Å; R96-Y99 VanDerWaalsContact O-CD2 3.25Å; R96-Y99 WeakPolarHBondContact O-CD2 3.47Å; R96-Y99 PolarHBondContact O-N 2.86Å; G97-Y99 VanDerWaalsContact C-N 3.31Å; G97-Y99 PolarHBondContact O-N 2.91Å; Y99-V105 HydrophobicContact CD2-CG2 4.4Å; Y99-V105 HydrophobicContact CG-CG2 4.38Å
100	L	94.8	Very high	95.3	Very high	139 Å²	139	48.8 Å²	48.8	73%	0.728	23%	0.232	S	C	*	.			trans	-72	146.7	168.3	-67	172.9	0	0	0	109.6	H102	L100-H102 PolarHBondContact O-N 3.09Å
101	Y	95.6	Very high	95.5	Very high	83 Å²	83	41.8 Å²	41.8	33%	0.325	20%	0.202	S	C	.	.	S	Bend	trans	-73.4	83.7	170.5	-174.4	-101	0	0	0	109	F94 V105 K106 A109 R113	F94-Y101 AromaticContact CE1-CD2 3.95Å; F94-Y101 HydrophobicContact CE1-CD2 3.95Å; F94-Y101 HydrophobicContact CE1-CE2 4.14Å; Y101-V105 HydrophobicContact CD2-CG1 4.49Å; Y101-K106 HydrophobicContact CD1-CB 4.36Å; Y101-K106 HydrophobicContact CD1-CG 4.43Å; Y101-K106 HydrophobicContact CE1-CB 4.06Å; Y101-K106 HydrophobicContact CE1-CD 4.12Å; Y101-K106 HydrophobicContact CE1-CG 3.74Å; Y101-K106 HydrophobicContact CE2-CB 4.33Å; Y101-A109 HydrophobicContact CE2-CB 3.61Å; Y101-R113 PolarHBondContact OH-NH1 2.62Å; Y101-R113 VanDerWaalsContact OH-NH1 3.11Å
102	H	96.2	Very high	95.6	Very high	138 Å²	138	37.8 Å²	37.8	64%	0.639	18%	0.184	S	C	*	.	S	Bend	trans	-160	161	-176.7	-167.5	62.6	0	0	0	110.7	L100 R104 V105	L100-H102 PolarHBondContact O-N 3.09Å; H102-R104 PolarHBondContact O-N 2.83Å; H102-R104 VanDerWaalsContact O-N 3.17Å; H102-V105 PolarHBondContact O-N 3.04Å; H102-V105 VanDerWaalsContact O-N 3.13Å
103	G	95	Very high	95.6	Very high	33 Å²	33	42.3 Å²	42.3	34%	0.34	20%	0.2	S	C	.	.	H	α-helix	trans	47.4	-119.8	177.4	0	0	0	0	0	112.2	V105 K106 A107	G103-V105 VanDerWaalsContact C-N 3.32Å; G103-V105 PolarHBondContact O-N 3.41Å; G103-K106 PolarHBondContact O-N 3.28Å; G103-A107 WeakPolarHBondContact O-CB 3.37Å; G103-A107 PolarHBondContact O-N 2.94Å
104	R	95	Very high	95.6	Very high	22 Å²	22	48.6 Å²	48.6	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-36.3	-176.9	-57.2	176.7	72.6	-178.5	10	114.5	S36 K38 I40 K69 V70 A73 H102 L108	S36-R104 PolarHBondContact O-NH1 3.37Å; K38-R104 PolarHBondContact O-NH2 3.19Å; I40-R104 HydrophobicContact CD1-CB 4.12Å; K69-R104 HydrophobicContact CB-CG 4.4Å; K69-R104 WeakPolarHBondContact O-CG 3.49Å; K69-R104 PolarHBondContact O-NE 3.41Å; V70-R104 HydrophobicContact CG2-CG 4.36Å; A73-R104 HydrophobicContact CB-CB 4Å; A73-R104 WeakPolarHBondContact CB-O 3.37Å; H102-R104 PolarHBondContact O-N 2.83Å; H102-R104 VanDerWaalsContact O-N 3.17Å; R104-L108 WeakPolarHBondContact O-CB 3.47Å; R104-L108 PolarHBondContact O-N 2.73Å; R104-L108 VanDerWaalsContact O-N 3.1Å
105	V	96.5	Very high	95.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.2	-38.1	-178.6	178.7	0	0	0	0	110.1	V33 F94 R96 Y99 Y101 H102 G103 A109	V33-V105 HydrophobicContact CG1-CG2 4.27Å; F94-V105 HydrophobicContact CE1-CG1 4.13Å; F94-V105 HydrophobicContact CZ-CG1 3.75Å; R96-V105 HydrophobicContact CB-CG1 4.25Å; Y99-V105 HydrophobicContact CD2-CG2 4.4Å; Y99-V105 HydrophobicContact CG-CG2 4.38Å; Y101-V105 HydrophobicContact CD2-CG1 4.49Å; H102-V105 PolarHBondContact O-N 3.04Å; H102-V105 VanDerWaalsContact O-N 3.13Å; G103-V105 VanDerWaalsContact C-N 3.32Å; G103-V105 PolarHBondContact O-N 3.41Å; V105-A109 WeakPolarHBondContact O-CB 3.49Å; V105-A109 PolarHBondContact O-N 3.33Å
106	K	96.6	Very high	95.3	Very high	84 Å²	84	51.3 Å²	51.3	37%	0.365	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-49.9	173.8	175.1	176.9	174.7	-176.2	0	110.7	Y101 G103 L108 A109 E110	Y101-K106 HydrophobicContact CD1-CB 4.36Å; Y101-K106 HydrophobicContact CD1-CG 4.43Å; Y101-K106 HydrophobicContact CE1-CB 4.06Å; Y101-K106 HydrophobicContact CE1-CD 4.12Å; Y101-K106 HydrophobicContact CE1-CG 3.74Å; Y101-K106 HydrophobicContact CE2-CB 4.33Å; G103-K106 PolarHBondContact O-N 3.28Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.09Å; K106-A109 WeakPolarHBondContact O-CB 3.35Å; K106-A109 PolarHBondContact O-N 2.85Å; K106-A109 VanDerWaalsContact O-N 3.07Å; K106-E110 WeakPolarHBondContact CE-OE1 3.27Å; K106-E110 WeakPolarHBondContact CE-OE2 3.37Å; K106-E110 HydrophobicContact CG-CG 4.3Å; K106-E110 IonicContact NZ-OE1 3.77Å; K106-E110 PolarHBondContact NZ-OE1 3.09Å; K106-E110 WeakPolarHBondContact O-CG 3.4Å; K106-E110 PolarHBondContact O-N 2.95Å
107	A	96.2	Very high	95.2	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-40.1	-179.9	0	0	0	0	0	113.5	V70 A73 T74 G103 A111	V70-A107 HydrophobicContact CG1-CB 3.73Å; A73-A107 HydrophobicContact CB-CB 4.45Å; T74-A107 HydrophobicContact CG2-CB 3.85Å; G103-A107 WeakPolarHBondContact O-CB 3.37Å; G103-A107 PolarHBondContact O-N 2.94Å; A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.11Å; A107-A111 PolarHBondContact O-N 3.47Å
108	L	96.1	Very high	95.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-43.4	174	-173.6	158.2	0	0	0	111.6	L31 V33 I40 A42 A73 V76 F94 R104 K106 A112	L31-L108 HydrophobicContact CD2-CD2 4.4Å; V33-L108 HydrophobicContact CG1-CD1 4.2Å; V33-L108 HydrophobicContact CG2-CD1 4.28Å; V33-L108 HydrophobicContact CG2-CD2 3.97Å; I40-L108 HydrophobicContact CD1-CD1 3.69Å; I40-L108 HydrophobicContact CG1-CD1 4.01Å; A42-L108 HydrophobicContact CB-CD1 4.25Å; A73-L108 HydrophobicContact CB-CB 4.35Å; A73-L108 WeakPolarHBondContact O-CA 3.5Å; V76-L108 HydrophobicContact CB-CD1 4.42Å; V76-L108 HydrophobicContact CG1-CD1 3.85Å; F94-L108 HydrophobicContact CE2-CD2 4.48Å; R104-L108 WeakPolarHBondContact O-CB 3.47Å; R104-L108 PolarHBondContact O-N 2.73Å; R104-L108 VanDerWaalsContact O-N 3.1Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.09Å; L108-A112 VanDerWaalsContact O-CB 3.29Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.83Å
109	A	96.6	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-42.7	179.9	0	0	0	0	0	112.5	F94 Y101 V105 K106 A112 R113 F119	F94-A109 HydrophobicContact CE1-CB 4.33Å; F94-A109 HydrophobicContact CE2-CB 3.91Å; F94-A109 HydrophobicContact CZ-CB 3.8Å; Y101-A109 HydrophobicContact CE2-CB 3.61Å; V105-A109 WeakPolarHBondContact O-CB 3.49Å; V105-A109 PolarHBondContact O-N 3.33Å; K106-A109 WeakPolarHBondContact O-CB 3.35Å; K106-A109 PolarHBondContact O-N 2.85Å; K106-A109 VanDerWaalsContact O-N 3.07Å; A109-A112 PolarHBondContact O-N 2.89Å; A109-R113 WeakPolarHBondContact O-CG 3.27Å; A109-R113 PolarHBondContact O-N 3.44Å; A109-F119 HydrophobicContact CB-CE2 3.97Å; A109-F119 HydrophobicContact CB-CZ 4.09Å; A109-F119 WeakPolarHBondContact O-CZ 3.47Å
110	E	96.8	Very high	95.1	Very high	75 Å²	75	57.3 Å²	57.3	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-48.6	176.6	-72	175.8	152.2	0	0	110.9	K106 A112 R113 E114	K106-E110 WeakPolarHBondContact CE-OE1 3.27Å; K106-E110 WeakPolarHBondContact CE-OE2 3.37Å; K106-E110 HydrophobicContact CG-CG 4.3Å; K106-E110 IonicContact NZ-OE1 3.77Å; K106-E110 PolarHBondContact NZ-OE1 3.09Å; K106-E110 WeakPolarHBondContact O-CG 3.4Å; K106-E110 PolarHBondContact O-N 2.95Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 2.89Å; E110-R113 WeakPolarHBondContact O-CB 3.21Å; E110-R113 PolarHBondContact O-N 3.35Å; E110-R113 VanDerWaalsContact O-N 3.09Å; E110-E114 WeakPolarHBondContact O-CG 3.17Å; E110-E114 PolarHBondContact O-N 3.25Å
111	A	96.2	Very high	95.1	Very high	3 Å²	3	53 Å²	53	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-36.5	176.6	0	0	0	0	0	113.1	T74 E78 A107 S115	T74-A111 HydrophobicContact CG2-CB 4.45Å; T74-A111 VanDerWaalsContact O-CB 3.31Å; T74-A111 WeakPolarHBondContact O-CB 3.23Å; E78-A111 HydrophobicContact CG-CB 4.22Å; A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.11Å; A107-A111 PolarHBondContact O-N 3.47Å; A111-S115 VanDerWaalsContact O-CB 3.31Å; A111-S115 WeakPolarHBondContact O-CB 3.25Å; A111-S115 PolarHBondContact O-N 3.14Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A111-S115 PolarHBondContact O-OG 3.37Å
112	A	95.7	Very high	95.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-40.1	174.6	0	0	0	0	0	112.1	L108 A109 E110 S115 G116 L117 F119	L108-A112 VanDerWaalsContact O-CB 3.29Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.83Å; A109-A112 PolarHBondContact O-N 2.89Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 2.89Å; A112-S115 PolarHBondContact O-N 2.83Å; A112-G116 PolarHBondContact O-N 3.11Å; A112-L117 HydrophobicContact CB-CD1 4.14Å; A112-L117 WeakPolarHBondContact O-CB 3.37Å; A112-L117 PolarHBondContact O-N 3.15Å; A112-L117 VanDerWaalsContact O-N 3.1Å; A112-F119 HydrophobicContact CB-CE1 3.89Å; A112-F119 HydrophobicContact CB-CZ 3.96Å
113	R	95.9	Very high	95	Very high	102 Å²	102	46.2 Å²	46.2	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-66.5	-46.4	175.3	-72.6	-178.3	-175	127.7	-1.8	112.5	Y101 A109 E110 S115 G116 L117 F119	Y101-R113 PolarHBondContact OH-NH1 2.62Å; Y101-R113 VanDerWaalsContact OH-NH1 3.11Å; A109-R113 WeakPolarHBondContact O-CG 3.27Å; A109-R113 PolarHBondContact O-N 3.44Å; E110-R113 WeakPolarHBondContact O-CB 3.21Å; E110-R113 PolarHBondContact O-N 3.35Å; E110-R113 VanDerWaalsContact O-N 3.09Å; R113-S115 PolarHBondContact O-N 3.11Å; R113-G116 PolarHBondContact O-N 2.97Å; R113-L117 WeakPolarHBondContact CA-O 3.47Å; R113-F119 HydrophobicContact CG-CD1 4.39Å; R113-F119 HydrophobicContact CG-CE1 3.86Å; R113-F119 HydrophobicContact CG-CE2 4.24Å; R113-F119 HydrophobicContact CG-CZ 3.79Å; R113-F119 PolarHBondContact NE-O 2.84Å; R113-F119 PolarHBondContact NH2-O 3.47Å; R113-F119 VanDerWaalsContact NH2-O 3.09Å
114	E	95.3	Very high	95	Very high	167 Å²	167	47.1 Å²	47.1	78%	0.78	24%	0.237	S	C	*	.	H	α-helix	trans	-60.2	-29.9	177.1	-72	173.9	-174.3	0	0	112	E110 G116	E110-E114 WeakPolarHBondContact O-CG 3.17Å; E110-E114 PolarHBondContact O-N 3.25Å; E114-G116 VanDerWaalsContact C-N 3.3Å; E114-G116 PolarHBondContact O-N 2.98Å
115	S	93.7	Very high	95	Very high	44 Å²	44	48.7 Å²	48.7	31%	0.308	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	8.8	176.7	-60	0	0	0	0	114.3	A111 A112 R113	A111-S115 VanDerWaalsContact O-CB 3.31Å; A111-S115 WeakPolarHBondContact O-CB 3.25Å; A111-S115 PolarHBondContact O-N 3.14Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A111-S115 PolarHBondContact O-OG 3.37Å; A112-S115 PolarHBondContact O-N 2.83Å; R113-S115 PolarHBondContact O-N 3.11Å
116	G	91.4	Very high	94.9	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	9.2	169.1	0	0	0	0	0	116.8	A112 R113 E114	A112-G116 PolarHBondContact O-N 3.11Å; R113-G116 PolarHBondContact O-N 2.97Å; E114-G116 VanDerWaalsContact C-N 3.3Å; E114-G116 PolarHBondContact O-N 2.98Å
117	L	92.8	Very high	94.8	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	26%	0.257	C	S	.	.			trans	-81.9	132.6	168.7	-75.4	174.1	0	0	0	111.1	A81 A84 I92 A112 R113 F119	A81-L117 HydrophobicContact CB-CD1 3.78Å; A81-L117 HydrophobicContact CB-CG 3.91Å; A84-L117 HydrophobicContact CB-CD1 4.36Å; A84-L117 HydrophobicContact CB-CD2 3.73Å; A84-L117 HydrophobicContact CB-CG 4.41Å; I92-L117 HydrophobicContact CD1-CB 4.23Å; I92-L117 HydrophobicContact CD1-CD1 3.86Å; I92-L117 HydrophobicContact CD1-CD2 4.35Å; I92-L117 HydrophobicContact CD1-CG 4.4Å; I92-L117 HydrophobicContact CG1-CB 4.4Å; I92-L117 HydrophobicContact CG1-CD2 4.33Å; I92-L117 HydrophobicContact CG2-CD2 4.13Å; A112-L117 HydrophobicContact CB-CD1 4.14Å; A112-L117 WeakPolarHBondContact O-CB 3.37Å; A112-L117 PolarHBondContact O-N 3.15Å; A112-L117 VanDerWaalsContact O-N 3.1Å; R113-L117 WeakPolarHBondContact CA-O 3.47Å; L117-F119 HydrophobicContact CB-CD1 4.03Å; L117-F119 HydrophobicContact CB-CE1 3.89Å
118	E	93.2	Very high	94.7	Very high	116 Å²	116	53.2 Å²	53.2	54%	0.542	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-101.2	114.3	-178.1	-64.9	-179.6	-176.2	0	0	110.7	K90 E91 I92	K90-E118 PolarHBondContact O-N 3.22Å; E91-E118 HydrophobicContact CG-CB 4.38Å; I92-E118 PolarHBondContact N-O 3.41Å; I92-E118 VanDerWaalsContact N-O 3.09Å
119	F	92.2	Very high	94.5	Very high	75 Å²	75	58 Å²	58	33%	0.329	30%	0.297	S	S	.	.			trans	-170.6	0	176.3	64.7	-88.7	0	0	0	115.8	I92 F94 A109 A112 R113 L117	I92-F119 HydrophobicContact CD1-CD1 3.42Å; I92-F119 VanDerWaalsContact CD1-CD1 3.42Å; I92-F119 HydrophobicContact CD1-CE1 3.78Å; I92-F119 HydrophobicContact CD1-CG 4.08Å; I92-F119 HydrophobicContact CG1-CB 3.93Å; I92-F119 HydrophobicContact CG1-CD1 3.5Å; I92-F119 VanDerWaalsContact CG1-CD1 3.5Å; I92-F119 HydrophobicContact CG1-CE1 4.33Å; I92-F119 HydrophobicContact CG1-CG 3.98Å; I92-F119 VanDerWaalsContact O-CB 3.26Å; I92-F119 WeakPolarHBondContact O-CB 3.33Å; F94-F119 HydrophobicContact CB-CB 4.49Å; F94-F119 HydrophobicContact CB-CD2 3.38Å; F94-F119 HydrophobicContact CB-CE2 3.77Å; F94-F119 HydrophobicContact CB-CG 4.11Å; F94-F119 HydrophobicContact CD2-CD2 4.19Å; F94-F119 AromaticContact CD2-CE2 3.69Å; F94-F119 HydrophobicContact CD2-CE2 3.69Å; F94-F119 HydrophobicContact CD2-CZ 4.19Å; F94-F119 HydrophobicContact CE2-CE2 4.41Å; F94-F119 AromaticContact CG-CD2 3.9Å; F94-F119 HydrophobicContact CG-CD2 3.9Å; F94-F119 AromaticContact CG-CE2 3.74Å; F94-F119 HydrophobicContact CG-CE2 3.74Å; A109-F119 HydrophobicContact CB-CE2 3.97Å; A109-F119 HydrophobicContact CB-CZ 4.09Å; A109-F119 WeakPolarHBondContact O-CZ 3.47Å; A112-F119 HydrophobicContact CB-CE1 3.89Å; A112-F119 HydrophobicContact CB-CZ 3.96Å; R113-F119 HydrophobicContact CG-CD1 4.39Å; R113-F119 HydrophobicContact CG-CE1 3.86Å; R113-F119 HydrophobicContact CG-CE2 4.24Å; R113-F119 HydrophobicContact CG-CZ 3.79Å; R113-F119 PolarHBondContact NE-O 2.84Å; R113-F119 PolarHBondContact NH2-O 3.47Å; R113-F119 VanDerWaalsContact NH2-O 3.09Å; L117-F119 HydrophobicContact CB-CD1 4.03Å; L117-F119 HydrophobicContact CB-CE1 3.89Å

Retrieved 119 of 119 residues in 221.4 ms (Link to these results)

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