A0A077YVH5_TRITR Loading...

LRR 6 and I-set and LRR 8 domain containing prote in

AlphaFold DB , UniProt , Accession A0A077YVH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.2	Very low	82.4	Confident	244 Å²	244	106 Å²	106	100%	1.202	53%	0.533	S	S	*	.				0	118.9	0	-113.9	166.2	171.9	0	0	106.7
2	Y	68.8	Low	81.9	Confident	237 Å²	237	110.6 Å²	110.6	93%	0.929	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-71.1	134.5	170.7	-74.4	-84.1	0	0	0	108.2
3	S	85.2	Confident	81	Confident	109 Å²	109	107.2 Å²	107.2	76%	0.762	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.6	172.3	-61	0	0	0	0	109.2
4	P	87.7	Confident	80.6	Confident	55 Å²	55	105.6 Å²	105.6	36%	0.357	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-63.8	141.5	178.9	25.6	-32.5	0	0	0	110.5	E29	P4-E29 HydrophobicContact CB-CB 4.09Å; P4-E29 HydrophobicContact CB-CG 3.66Å; P4-E29 HydrophobicContact CG-CB 4.44Å; P4-E29 HydrophobicContact CG-CG 3.83Å
5	I	89.7	Confident	80.2	Confident	64 Å²	64	104.8 Å²	104.8	33%	0.328	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-72.8	129.7	175.5	-59.6	171.6	0	0	0	108.2	N7 C8 L25 N28 E29 I30	I5-N7 VanDerWaalsContact CG2-O 3.28Å; I5-N7 WeakPolarHBondContact CG2-O 3.45Å; I5-C8 HydrophobicContact CG2-CB 4.3Å; I5-L25 HydrophobicContact CD1-CD2 3.82Å; I5-N28 HydrophobicContact CB-CB 4.13Å; I5-N28 WeakPolarHBondContact CB-OD1 3.44Å; I5-N28 PolarHBondContact N-OD1 2.85Å; I5-N28 WeakPolarHBondContact O-CB 3.27Å; I5-E29 CarbonylContact O-C 3.58Å; I5-E29 WeakPolarHBondContact O-CA 3.11Å; I5-E29 PolarHBondContact O-N 3.44Å; I5-I30 HydrophobicContact CG2-CD1 4.46Å; I5-I30 HydrophobicContact CG2-CG1 4.39Å; I5-I30 PolarHBondContact O-N 3.01Å
6	K	91	Very high	80.2	Confident	136 Å²	136	110.9 Å²	110.9	59%	0.591	56%	0.558	S	S	*	*	S	Bend	trans	-104.6	-25.1	177.3	-63.3	-171.7	176.7	-166.8	0	113.4	E29	K6-E29 WeakPolarHBondContact CE-OE2 3.32Å; K6-E29 HydrophobicContact CG-CB 4.16Å; K6-E29 IonicContact NZ-OE2 3.18Å
7	N	88.2	Confident	80.4	Confident	79 Å²	79	108.4 Å²	108.4	42%	0.422	54%	0.541	S	S	.	.			trans	-148.9	141.6	175.7	-168.1	-8.3	0	0	0	108.2	I5 E34	I5-N7 VanDerWaalsContact CG2-O 3.28Å; I5-N7 WeakPolarHBondContact CG2-O 3.45Å; N7-E34 PolarHBondContact ND2-OE2 3.01Å
8	C	87.6	Confident	80.6	Confident	21 Å²	21	106.8 Å²	106.8	14%	0.142	53%	0.531	C	S	.	.			trans	-128.7	117.4	176.5	-170.5	0	0	0	0	109	I5 L25	I5-C8 HydrophobicContact CG2-CB 4.3Å; C8-L25 HydrophobicContact CB-CD1 3.76Å; C8-L25 HydrophobicContact CB-CD2 4.36Å
9	V	90.6	Very high	81	Confident	66 Å²	66	112.1 Å²	112.1	40%	0.4	54%	0.544	S	S	.	.			trans	-124.6	113.2	179.3	-169.5	0	0	0	0	109.5	Q11 N37	V9-Q11 HydrophobicContact CG1-CG 3.79Å; V9-N37 CarbonylContact C-O 3.49Å; V9-N37 WeakPolarHBondContact CA-O 3.15Å
10	L	88.5	Confident	81.6	Confident	14 Å²	14	109 Å²	109	7%	0.073	53%	0.53	C	S	.	.			trans	-101.7	85.2	172.7	-56.5	-175.7	0	0	0	108.9	Y17 L20 L23 N37 F38 G40 A41	L10-Y17 HydrophobicContact CB-CD2 3.9Å; L10-Y17 HydrophobicContact CB-CE2 4.25Å; L10-Y17 HydrophobicContact CB-CG 4.33Å; L10-Y17 HydrophobicContact CD2-CD1 4.04Å; L10-Y17 HydrophobicContact CD2-CD2 4.04Å; L10-Y17 HydrophobicContact CD2-CE1 3.84Å; L10-Y17 HydrophobicContact CD2-CE2 3.84Å; L10-Y17 HydrophobicContact CD2-CG 4.17Å; L10-L20 HydrophobicContact CD1-CD2 3.79Å; L10-L23 HydrophobicContact CD1-CD2 3.78Å; L10-N37 PolarHBondContact N-O 2.87Å; L10-F38 HydrophobicContact CD1-CD1 4.37Å; L10-G40 WeakPolarHBondContact O-CA 3.44Å; L10-G40 PolarHBondContact O-N 2.98Å; L10-A41 HydrophobicContact CD1-CB 3.86Å
11	Q	79.6	Confident	82.3	Confident	141 Å²	141	107.9 Å²	107.9	66%	0.659	53%	0.53	S	S	*	.			trans	-66.5	150.3	-179.6	-65.3	-174.1	-20.6	0	0	112.3	V9	V9-Q11 HydrophobicContact CG1-CG 3.79Å
12	R	76.6	Confident	84.6	Confident	161 Å²	161	98.5 Å²	98.5	61%	0.608	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	149.8	169.5	-77.5	-172.6	176.6	-178.3	13.9	111.4	E39	R12-E39 HydrophobicContact CG-CB 4.36Å; R12-E39 HydrophobicContact CG-CG 4Å; R12-E39 IonicContact CZ-OE1 3.97Å; R12-E39 IonicContact NE-OE1 3.51Å; R12-E39 PolarHBondContact NE-OE1 2.93Å; R12-E39 VanDerWaalsContact NE-OE1 3.11Å; R12-E39 IonicContact NE-OE2 2.94Å; R12-E39 PolarHBondContact NE-OE2 2.7Å; R12-E39 IonicContact NH2-OE1 3.62Å; R12-E39 PolarHBondContact NH2-OE1 3.49Å
13	G	70.6	Confident	85.9	Confident	66 Å²	66	88.4 Å²	88.4	68%	0.68	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-11.4	173.1	0	0	0	0	0	115.3	P15	G13-P15 WeakPolarHBondContact O-CD 3.45Å
14	H	75.9	Confident	86.5	Confident	85 Å²	85	88.4 Å²	88.4	39%	0.394	44%	0.442	S	S	.	.			trans	-80.8	115.4	173.7	-159.8	-82.3	0	0	0	110.4	R16 Y17	H14-R16 PolarHBondContact O-N 3.48Å; H14-R16 VanDerWaalsContact O-N 3.09Å; H14-Y17 HydrophobicContact CB-CD2 3.5Å; H14-Y17 VanDerWaalsContact CB-CD2 3.5Å; H14-Y17 HydrophobicContact CB-CE2 3.49Å; H14-Y17 VanDerWaalsContact CB-CE2 3.49Å; H14-Y17 HydrophobicContact CB-CG 4.22Å; H14-Y17 AromaticContact CG-CE2 3.73Å; H14-Y17 AromaticContact CG-CZ 3.95Å; H14-Y17 AromaticContact ND1-CE1 3.97Å; H14-Y17 AromaticContact ND1-CZ 3.85Å; H14-Y17 PolarHBondContact O-N 2.88Å; H14-Y17 VanDerWaalsContact O-N 3.16Å
15	P	74.6	Confident	86.9	Confident	94 Å²	94	86.1 Å²	86.1	61%	0.61	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.8	-167.2	22.7	-32.3	0	0	0	113.6	G13	G13-P15 WeakPolarHBondContact O-CD 3.45Å
16	R	79.7	Confident	87.3	Confident	202 Å²	202	84.9 Å²	84.9	76%	0.762	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.2	178.5	-68.7	-170.1	177.7	-175	-0.2	113.9	H14 H18	H14-R16 PolarHBondContact O-N 3.48Å; H14-R16 VanDerWaalsContact O-N 3.09Å; R16-H18 VanDerWaalsContact C-N 3.3Å
17	Y	84	Confident	87.6	Confident	69 Å²	69	80.9 Å²	80.9	27%	0.271	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-77.1	-23.3	-177	-53.8	-28.8	0	0	0	112	L10 H14 W19 L20	L10-Y17 HydrophobicContact CB-CD2 3.9Å; L10-Y17 HydrophobicContact CB-CE2 4.25Å; L10-Y17 HydrophobicContact CB-CG 4.33Å; L10-Y17 HydrophobicContact CD2-CD1 4.04Å; L10-Y17 HydrophobicContact CD2-CD2 4.04Å; L10-Y17 HydrophobicContact CD2-CE1 3.84Å; L10-Y17 HydrophobicContact CD2-CE2 3.84Å; L10-Y17 HydrophobicContact CD2-CG 4.17Å; H14-Y17 HydrophobicContact CB-CD2 3.5Å; H14-Y17 VanDerWaalsContact CB-CD2 3.5Å; H14-Y17 HydrophobicContact CB-CE2 3.49Å; H14-Y17 VanDerWaalsContact CB-CE2 3.49Å; H14-Y17 HydrophobicContact CB-CG 4.22Å; H14-Y17 AromaticContact CG-CE2 3.73Å; H14-Y17 AromaticContact CG-CZ 3.95Å; H14-Y17 AromaticContact ND1-CE1 3.97Å; H14-Y17 AromaticContact ND1-CZ 3.85Å; H14-Y17 PolarHBondContact O-N 2.88Å; H14-Y17 VanDerWaalsContact O-N 3.16Å; Y17-W19 PolarHBondContact O-N 3.32Å; Y17-L20 WeakPolarHBondContact O-CB 3.33Å; Y17-L20 PolarHBondContact O-N 3.15Å
18	H	83.6	Confident	88	Confident	79 Å²	79	78.8 Å²	78.8	37%	0.366	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-58.7	-20.9	177.3	-90.8	69.8	0	0	0	113.9	R16 Q43	R16-H18 VanDerWaalsContact C-N 3.3Å; H18-Q43 VanDerWaalsContact O-CB 3.32Å; H18-Q43 WeakPolarHBondContact O-CB 3.28Å; H18-Q43 WeakPolarHBondContact O-CG 3.27Å
19	W	88.5	Confident	88.4	Confident	207 Å²	207	80.7 Å²	80.7	78%	0.784	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-106.1	-0.6	-179.7	-51.7	99.4	0	0	0	113	Y17 T21	Y17-W19 PolarHBondContact O-N 3.32Å; W19-T21 PolarHBondContact O-N 2.98Å
20	L	93.2	Very high	88.8	Confident	50 Å²	50	77.8 Å²	77.8	26%	0.262	40%	0.399	S	S	.	.			trans	-72.1	116.2	-177.8	-170.8	69.9	0	0	0	109.1	L10 Y17 S22 L23 A41 Q43 L44	L10-L20 HydrophobicContact CD1-CD2 3.79Å; Y17-L20 WeakPolarHBondContact O-CB 3.33Å; Y17-L20 PolarHBondContact O-N 3.15Å; L20-S22 WeakPolarHBondContact CD1-O 3.38Å; L20-L23 HydrophobicContact CD2-CB 4.06Å; L20-L23 HydrophobicContact CD2-CD1 4.26Å; L20-L23 HydrophobicContact CD2-CD2 4.31Å; L20-L23 HydrophobicContact CD2-CG 4.43Å; L20-A41 HydrophobicContact CD2-CB 4.44Å; L20-Q43 CarbonylContact O-C 3.55Å; L20-L44 HydrophobicContact CD2-CD1 4.15Å; L20-L44 HydrophobicContact CG-CD1 4.04Å; L20-L44 VanDerWaalsContact O-CA 3.25Å; L20-L44 WeakPolarHBondContact O-CA 3.48Å; L20-L44 PolarHBondContact O-N 3.37Å; L20-L44 VanDerWaalsContact O-N 3.11Å
21	T	96.1	Very high	89.2	Confident	86 Å²	86	82.3 Å²	82.3	53%	0.528	42%	0.42	S	S	.	.			trans	-101.6	-30.6	-178.4	54.2	0	0	0	0	113.2	W19 Q43 S45 E46	W19-T21 PolarHBondContact O-N 2.98Å; T21-Q43 WeakPolarHBondContact CA-O 3.32Å; T21-S45 WeakPolarHBondContact O-CA 3.41Å; T21-S45 WeakPolarHBondContact O-CB 3.46Å; T21-S45 PolarHBondContact O-N 2.73Å; T21-E46 PolarHBondContact O-N 3.31Å; T21-E46 VanDerWaalsContact O-N 3.1Å
22	S	97.2	Very high	90	Very high	48 Å²	48	80.8 Å²	80.8	34%	0.336	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.5	179.2	-168.9	0	0	0	0	109	L20 E46	L20-S22 WeakPolarHBondContact CD1-O 3.38Å; S22-E46 WeakPolarHBondContact CA-O 3.32Å; S22-E46 PolarHBondContact OG-OE2 2.93Å
23	L	96.1	Very high	91	Very high	25 Å²	25	73.1 Å²	73.1	13%	0.131	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.2	179.8	176.5	57.6	0	0	0	109.3	L10 L20 L25 F38 L44 E46 L47 F48	L10-L23 HydrophobicContact CD1-CD2 3.78Å; L20-L23 HydrophobicContact CD2-CB 4.06Å; L20-L23 HydrophobicContact CD2-CD1 4.26Å; L20-L23 HydrophobicContact CD2-CD2 4.31Å; L20-L23 HydrophobicContact CD2-CG 4.43Å; L23-L25 HydrophobicContact CD1-CD2 4.18Å; L23-L25 HydrophobicContact CD1-CG 4.06Å; L23-L25 HydrophobicContact CD2-CD1 3.92Å; L23-L25 HydrophobicContact CD2-CG 4.31Å; L23-L25 HydrophobicContact CG-CD1 4.11Å; L23-L25 HydrophobicContact CG-CG 3.95Å; L23-F38 HydrophobicContact CD2-CD1 4.05Å; L23-F38 HydrophobicContact CD2-CE1 3.99Å; L23-L44 HydrophobicContact CB-CD1 3.62Å; L23-L44 HydrophobicContact CB-CD2 4.38Å; L23-E46 PolarHBondContact N-O 2.93Å; L23-L47 HydrophobicContact CB-CD1 4.11Å; L23-L47 HydrophobicContact CD2-CD1 3.9Å; L23-L47 HydrophobicContact CG-CD1 4.03Å; L23-F48 PolarHBondContact O-N 3.07Å
24	D	97.2	Very high	92.2	Very high	109 Å²	109	74.5 Å²	74.5	58%	0.583	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.6	174.2	-168	-2.6	0	0	0	111	S26 F48	D24-S26 WeakPolarHBondContact OD1-CB 3.42Å; D24-S26 PolarHBondContact OD1-N 2.97Å; D24-S26 PolarHBondContact OD1-OG 2.89Å; D24-F48 HydrophobicContact CB-CB 4.3Å; D24-F48 HydrophobicContact CB-CD2 4.31Å; D24-F48 WeakPolarHBondContact OD1-CB 2.87Å
25	L	96.8	Very high	93.1	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.031	37%	0.367	C	S	.	.			trans	-116.8	18.4	175.1	-65.2	171.8	0	0	0	111	I5 C8 L23 N28 I30 F38 L47 F48 L49 N52	I5-L25 HydrophobicContact CD1-CD2 3.82Å; C8-L25 HydrophobicContact CB-CD1 3.76Å; C8-L25 HydrophobicContact CB-CD2 4.36Å; L23-L25 HydrophobicContact CD1-CD2 4.18Å; L23-L25 HydrophobicContact CD1-CG 4.06Å; L23-L25 HydrophobicContact CD2-CD1 3.92Å; L23-L25 HydrophobicContact CD2-CG 4.31Å; L23-L25 HydrophobicContact CG-CD1 4.11Å; L23-L25 HydrophobicContact CG-CG 3.95Å; L25-N28 VanDerWaalsContact C-ND2 3.32Å; L25-N28 PolarHBondContact O-ND2 2.65Å; L25-I30 HydrophobicContact CB-CD1 3.99Å; L25-I30 HydrophobicContact CD1-CD1 4.07Å; L25-I30 HydrophobicContact CG-CD1 4.5Å; L25-F38 HydrophobicContact CD1-CE1 4Å; L25-F38 HydrophobicContact CD1-CZ 4.34Å; L25-L47 HydrophobicContact CD1-CD1 4.48Å; L25-F48 CarbonylContact C-O 3.56Å; L25-F48 WeakPolarHBondContact CA-O 3.43Å; L25-F48 WeakPolarHBondContact CB-O 3.43Å; L25-F48 PolarHBondContact N-O 3.1Å; L25-L49 HydrophobicContact CB-CD2 3.92Å; L25-L49 HydrophobicContact CD1-CD2 3.95Å; L25-N52 PolarHBondContact O-ND2 3.32Å
26	S	97.5	Very high	94	Very high	38 Å²	38	71.6 Å²	71.6	27%	0.266	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	148.4	-177.9	-51.3	0	0	0	0	112.2	D24 N28 F48 S50	D24-S26 WeakPolarHBondContact OD1-CB 3.42Å; D24-S26 PolarHBondContact OD1-N 2.97Å; D24-S26 PolarHBondContact OD1-OG 2.89Å; S26-N28 PolarHBondContact O-ND2 2.89Å; S26-F48 PolarHBondContact N-O 2.78Å; S26-F48 WeakPolarHBondContact OG-CB 3.37Å; S26-S50 CarbonylContact C-O 3.37Å; S26-S50 WeakPolarHBondContact CA-O 3.49Å; S26-S50 VanDerWaalsContact CB-O 3.32Å; S26-S50 WeakPolarHBondContact CB-O 3.47Å
27	G	97	Very high	94.7	Very high	53 Å²	53	62.4 Å²	62.4	55%	0.546	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	28.7	176.7	0	0	0	0	0	114.5	S50 K51	G27-S50 PolarHBondContact N-O 2.93Å; G27-K51 VanDerWaalsContact CA-O 3.3Å; G27-K51 WeakPolarHBondContact CA-O 3.49Å; G27-K51 PolarHBondContact N-O 3.03Å
28	N	96.7	Very high	95.2	Very high	34 Å²	34	59.3 Å²	59.3	18%	0.182	31%	0.307	C	S	.	.	S	Bend	trans	-106	-167.9	175.8	-77.7	-72.4	0	0	0	111.3	I5 L25 S26 I30 N52	I5-N28 HydrophobicContact CB-CB 4.13Å; I5-N28 WeakPolarHBondContact CB-OD1 3.44Å; I5-N28 PolarHBondContact N-OD1 2.85Å; I5-N28 WeakPolarHBondContact O-CB 3.27Å; L25-N28 VanDerWaalsContact C-ND2 3.32Å; L25-N28 PolarHBondContact O-ND2 2.65Å; S26-N28 PolarHBondContact O-ND2 2.89Å; N28-I30 HydrophobicContact CB-CG1 4.31Å; N28-N52 VanDerWaalsContact CA-OD1 3.28Å; N28-N52 WeakPolarHBondContact CA-OD1 3.43Å; N28-N52 WeakPolarHBondContact CB-OD1 3.46Å; N28-N52 PolarHBondContact N-OD1 3.45Å; N28-N52 PolarHBondContact O-OD1 3.27Å
29	E	97.1	Very high	95.6	Very high	61 Å²	61	57.3 Å²	57.3	29%	0.285	30%	0.297	S	S	.	.			trans	-114.9	34.9	-179.9	-69.6	-175.9	170.6	0	0	111.7	P4 I5 K6 E31 N52 K53	P4-E29 HydrophobicContact CB-CB 4.09Å; P4-E29 HydrophobicContact CB-CG 3.66Å; P4-E29 HydrophobicContact CG-CB 4.44Å; P4-E29 HydrophobicContact CG-CG 3.83Å; I5-E29 CarbonylContact O-C 3.58Å; I5-E29 WeakPolarHBondContact O-CA 3.11Å; I5-E29 PolarHBondContact O-N 3.44Å; K6-E29 WeakPolarHBondContact CE-OE2 3.32Å; K6-E29 HydrophobicContact CG-CB 4.16Å; K6-E29 IonicContact NZ-OE2 3.18Å; E29-E31 PolarHBondContact O-N 3.23Å; E29-N52 PolarHBondContact N-OD1 2.95Å; E29-K53 IonicContact OE1-NZ 3.6Å
30	I	97.7	Very high	95.7	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	26%	0.26	C	S	.	.			trans	-71.7	124.2	179.2	-57.8	171.4	0	0	0	109.1	I5 L25 N28 K32 L49 N52 K53 I54	I5-I30 HydrophobicContact CG2-CD1 4.46Å; I5-I30 HydrophobicContact CG2-CG1 4.39Å; I5-I30 PolarHBondContact O-N 3.01Å; L25-I30 HydrophobicContact CB-CD1 3.99Å; L25-I30 HydrophobicContact CD1-CD1 4.07Å; L25-I30 HydrophobicContact CG-CD1 4.5Å; N28-I30 HydrophobicContact CB-CG1 4.31Å; I30-K32 WeakPolarHBondContact CG2-O 3.02Å; I30-L49 HydrophobicContact CD1-CD2 3.87Å; I30-N52 HydrophobicContact CB-CB 4.31Å; I30-N52 WeakPolarHBondContact CB-OD1 3.47Å; I30-N52 WeakPolarHBondContact CG1-OD1 3.15Å; I30-N52 PolarHBondContact N-OD1 3.26Å; I30-K53 CarbonylContact O-C 3.54Å; I30-K53 VanDerWaalsContact O-CA 3.31Å; I30-K53 WeakPolarHBondContact O-CA 3.25Å; I30-K53 PolarHBondContact O-N 3.34Å; I30-I54 HydrophobicContact CB-CG1 4.38Å; I30-I54 HydrophobicContact CG2-CG1 4.15Å; I30-I54 VanDerWaalsContact O-CG1 3.31Å; I30-I54 WeakPolarHBondContact O-CG1 3.25Å; I30-I54 PolarHBondContact O-N 2.86Å; I30-I54 VanDerWaalsContact O-N 3.09Å
31	E	97.2	Very high	95.8	Very high	108 Å²	108	45.1 Å²	45.1	51%	0.505	25%	0.248	S	C	.	.			trans	-101.4	-27.5	-176.9	-68.7	-179.9	-171.8	0	0	113.6	E29 K53 I54 T55	E29-E31 PolarHBondContact O-N 3.23Å; E31-K53 WeakPolarHBondContact CA-O 3.32Å; E31-K53 HydrophobicContact CG-CB 4.04Å; E31-I54 CarbonylContact O-C 3.55Å; E31-I54 WeakPolarHBondContact O-CA 2.94Å; E31-T55 PolarHBondContact O-N 2.65Å; E31-T55 PolarHBondContact O-OG1 2.84Å
32	K	97	Very high	95.6	Very high	109 Å²	109	42.9 Å²	42.9	47%	0.474	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.6	-176.9	-57.9	-174.6	-177.3	174	0	109.9	I30 Y56	I30-K32 WeakPolarHBondContact CG2-O 3.02Å; K32-Y56 WeakPolarHBondContact CA-O 3.46Å
33	I	96.9	Very high	95.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.1	164.6	-46.7	179.9	0	0	0	107	N37 F38 L49 I54 Y56 I57 D58 A61 F62 L73	I33-N37 HydrophobicContact CG2-CB 4.29Å; I33-F38 HydrophobicContact CG2-CD2 4.47Å; I33-F38 HydrophobicContact CG2-CE2 3.67Å; I33-F38 HydrophobicContact CG2-CZ 4.4Å; I33-L49 HydrophobicContact CD1-CD1 3.54Å; I33-I54 HydrophobicContact CD1-CD1 4.17Å; I33-I54 HydrophobicContact CG1-CD1 4.24Å; I33-I54 HydrophobicContact CG1-CG2 4.3Å; I33-Y56 PolarHBondContact N-O 2.91Å; I33-I57 HydrophobicContact CB-CG1 4.48Å; I33-I57 HydrophobicContact CB-CG2 4.44Å; I33-I57 HydrophobicContact CD1-CD1 4.26Å; I33-I57 HydrophobicContact CD1-CG1 4.02Å; I33-I57 HydrophobicContact CG1-CG1 4.31Å; I33-D58 WeakPolarHBondContact O-CB 3.38Å; I33-D58 PolarHBondContact O-N 2.96Å; I33-A61 HydrophobicContact CB-CB 4.26Å; I33-A61 HydrophobicContact CG2-CB 3.71Å; I33-F62 HydrophobicContact CD1-CE1 4.14Å; I33-F62 HydrophobicContact CD1-CZ 3.83Å; I33-F62 HydrophobicContact CG2-CE1 4.48Å; I33-L73 HydrophobicContact CD1-CD2 4.12Å
34	E	95.8	Very high	95.5	Very high	95 Å²	95	43.8 Å²	43.8	44%	0.444	23%	0.232	S	C	.	.			trans	-84.4	165.4	-178.5	-57.2	-177	130.7	0	0	111	N7 Y36 N37 A61	N7-E34 PolarHBondContact ND2-OE2 3.01Å; E34-Y36 PolarHBondContact O-N 3.31Å; E34-N37 PolarHBondContact N-OD1 2.98Å; E34-N37 VanDerWaalsContact O-CG 3.32Å; E34-N37 PolarHBondContact O-N 2.94Å; E34-N37 PolarHBondContact O-OD1 3.39Å; E34-A61 WeakPolarHBondContact O-CA 3.37Å
35	A	95.2	Very high	95.5	Very high	36 Å²	36	40 Å²	40	30%	0.298	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	135.2	177.9	0	0	0	0	0	111.3	N37 D58 D60	A35-N37 PolarHBondContact O-N 3.23Å; A35-N37 VanDerWaalsContact O-N 3.13Å; A35-D58 HydrophobicContact CB-CB 4.45Å; A35-D60 HydrophobicContact CB-CB 3.91Å
36	Y	93.8	Very high	95.6	Very high	82 Å²	82	43.6 Å²	43.6	32%	0.322	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	17.1	174	-46	-79.8	0	0	0	115.7	E34 F38 E39 D60 R63	E34-Y36 PolarHBondContact O-N 3.31Å; Y36-F38 PolarHBondContact O-N 3.35Å; Y36-E39 HydrophobicContact CD1-CG 4.31Å; Y36-E39 WeakPolarHBondContact O-CB 3.35Å; Y36-E39 PolarHBondContact O-N 3.45Å; Y36-D60 HydrophobicContact CE1-CB 4.2Å; Y36-D60 HydrophobicContact CE2-CB 3.93Å; Y36-D60 PolarHBondContact N-O 3.29Å; Y36-D60 VanDerWaalsContact OH-CG 3.26Å; Y36-D60 PolarHBondContact OH-OD2 3.45Å; Y36-R63 HydrophobicContact CD1-CB 4.09Å; Y36-R63 HydrophobicContact CD1-CG 4.38Å; Y36-R63 HydrophobicContact CE1-CB 3.96Å; Y36-R63 HydrophobicContact CE1-CG 3.9Å; Y36-R63 PolarHBondContact OH-NH1 2.93Å
37	N	93.9	Very high	95.6	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.043	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.5	-179.5	-87.2	170.1	0	0	0	114	V9 L10 I33 E34 A35	V9-N37 CarbonylContact C-O 3.49Å; V9-N37 WeakPolarHBondContact CA-O 3.15Å; L10-N37 PolarHBondContact N-O 2.87Å; I33-N37 HydrophobicContact CG2-CB 4.29Å; E34-N37 PolarHBondContact N-OD1 2.98Å; E34-N37 VanDerWaalsContact O-CG 3.32Å; E34-N37 PolarHBondContact O-N 2.94Å; E34-N37 PolarHBondContact O-OD1 3.39Å; A35-N37 PolarHBondContact O-N 3.23Å; A35-N37 VanDerWaalsContact O-N 3.13Å
38	F	94.6	Very high	95.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	10.8	-176.6	-54.3	-65.8	0	0	0	113.7	L10 L23 L25 I33 Y36 G40 A41 L47 F62 L65	L10-F38 HydrophobicContact CD1-CD1 4.37Å; L23-F38 HydrophobicContact CD2-CD1 4.05Å; L23-F38 HydrophobicContact CD2-CE1 3.99Å; L25-F38 HydrophobicContact CD1-CE1 4Å; L25-F38 HydrophobicContact CD1-CZ 4.34Å; I33-F38 HydrophobicContact CG2-CD2 4.47Å; I33-F38 HydrophobicContact CG2-CE2 3.67Å; I33-F38 HydrophobicContact CG2-CZ 4.4Å; Y36-F38 PolarHBondContact O-N 3.35Å; F38-G40 PolarHBondContact O-N 3.29Å; F38-A41 PolarHBondContact O-N 2.88Å; F38-L47 HydrophobicContact CD2-CD2 4.02Å; F38-L47 HydrophobicContact CE1-CD1 4.27Å; F38-L47 HydrophobicContact CE2-CD2 3.74Å; F38-L47 HydrophobicContact CZ-CD1 4.26Å; F38-L47 HydrophobicContact CZ-CD2 4.07Å; F38-F62 HydrophobicContact CD2-CD1 4.13Å; F38-F62 HydrophobicContact CD2-CE1 4.35Å; F38-F62 HydrophobicContact CE2-CD1 4.38Å; F38-F62 HydrophobicContact CE2-CE1 4.13Å; F38-L65 HydrophobicContact CB-CD1 3.82Å; F38-L65 HydrophobicContact CB-CD2 4.07Å; F38-L65 HydrophobicContact CB-CG 4.31Å; F38-L65 VanDerWaalsContact O-CD2 3.28Å; F38-L65 WeakPolarHBondContact O-CD2 3.34Å
39	E	92.8	Very high	95.8	Very high	37 Å²	37	40.2 Å²	40.2	17%	0.173	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.3	-166.5	-163.7	-171.4	-157.9	0	0	114.4	R12 Y36	R12-E39 HydrophobicContact CG-CB 4.36Å; R12-E39 HydrophobicContact CG-CG 4Å; R12-E39 IonicContact CZ-OE1 3.97Å; R12-E39 IonicContact NE-OE1 3.51Å; R12-E39 PolarHBondContact NE-OE1 2.93Å; R12-E39 VanDerWaalsContact NE-OE1 3.11Å; R12-E39 IonicContact NE-OE2 2.94Å; R12-E39 PolarHBondContact NE-OE2 2.7Å; R12-E39 IonicContact NH2-OE1 3.62Å; R12-E39 PolarHBondContact NH2-OE1 3.49Å; Y36-E39 HydrophobicContact CD1-CG 4.31Å; Y36-E39 WeakPolarHBondContact O-CB 3.35Å; Y36-E39 PolarHBondContact O-N 3.45Å
40	G	90	Very high	95.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.5	176.9	0	0	0	0	0	115.2	L10 F38 V42	L10-G40 WeakPolarHBondContact O-CA 3.44Å; L10-G40 PolarHBondContact O-N 2.98Å; F38-G40 PolarHBondContact O-N 3.29Å; G40-V42 VanDerWaalsContact C-N 3.34Å; G40-V42 PolarHBondContact O-N 2.82Å
41	A	94.3	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.			trans	-92.6	59.9	-177.5	0	0	0	0	0	111.5	L10 L20 F38 Q43 L44 L65	L10-A41 HydrophobicContact CD1-CB 3.86Å; L20-A41 HydrophobicContact CD2-CB 4.44Å; F38-A41 PolarHBondContact O-N 2.88Å; A41-Q43 PolarHBondContact O-N 3.31Å; A41-L44 HydrophobicContact CB-CB 4.01Å; A41-L44 HydrophobicContact CB-CD2 4.44Å; A41-L44 WeakPolarHBondContact O-CB 3.41Å; A41-L44 PolarHBondContact O-N 3.07Å; A41-L65 HydrophobicContact CB-CD2 4.49Å; A41-L65 VanDerWaalsContact O-CD2 3.27Å; A41-L65 WeakPolarHBondContact O-CD2 3.26Å
42	V	92.8	Very high	95.9	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.236	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	-171.2	-63	0	0	0	0	115	G40	G40-V42 VanDerWaalsContact C-N 3.34Å; G40-V42 PolarHBondContact O-N 2.82Å
43	Q	94.6	Very high	95.9	Very high	92 Å²	92	37.2 Å²	37.2	43%	0.43	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	9.3	176.2	-64.8	-62.5	-37.5	0	0	113.4	H18 L20 T21 A41 S45 I67	H18-Q43 VanDerWaalsContact O-CB 3.32Å; H18-Q43 WeakPolarHBondContact O-CB 3.28Å; H18-Q43 WeakPolarHBondContact O-CG 3.27Å; L20-Q43 CarbonylContact O-C 3.55Å; T21-Q43 WeakPolarHBondContact CA-O 3.32Å; A41-Q43 PolarHBondContact O-N 3.31Å; Q43-S45 PolarHBondContact O-N 2.92Å; Q43-I67 HydrophobicContact CB-CD1 4.37Å; Q43-I67 WeakPolarHBondContact O-CD1 3.18Å
44	L	96.3	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.			trans	-69	121.3	-178.2	-166	70.3	0	0	0	110.3	L20 L23 A41 L47 L65 L68	L20-L44 HydrophobicContact CD2-CD1 4.15Å; L20-L44 HydrophobicContact CG-CD1 4.04Å; L20-L44 VanDerWaalsContact O-CA 3.25Å; L20-L44 WeakPolarHBondContact O-CA 3.48Å; L20-L44 PolarHBondContact O-N 3.37Å; L20-L44 VanDerWaalsContact O-N 3.11Å; L23-L44 HydrophobicContact CB-CD1 3.62Å; L23-L44 HydrophobicContact CB-CD2 4.38Å; A41-L44 HydrophobicContact CB-CB 4.01Å; A41-L44 HydrophobicContact CB-CD2 4.44Å; A41-L44 WeakPolarHBondContact O-CB 3.41Å; A41-L44 PolarHBondContact O-N 3.07Å; L44-L47 HydrophobicContact CD2-CB 4.31Å; L44-L47 HydrophobicContact CD2-CD1 4.41Å; L44-L65 HydrophobicContact CB-CD2 4.21Å; L44-L65 HydrophobicContact CD2-CD1 4.4Å; L44-L68 HydrophobicContact CB-CD1 4.35Å; L44-L68 HydrophobicContact CD2-CD1 4.1Å; L44-L68 HydrophobicContact CG-CD1 3.93Å; L44-L68 VanDerWaalsContact O-CA 3.27Å; L44-L68 WeakPolarHBondContact O-CA 3.1Å; L44-L68 WeakPolarHBondContact O-CD1 3.49Å; L44-L68 PolarHBondContact O-N 3.41Å
45	S	97.7	Very high	96.1	Very high	30 Å²	30	35.4 Å²	35.4	21%	0.21	18%	0.177	C	C	.	.			trans	-105.7	-32.4	179.2	-179.8	0	0	0	0	111.9	T21 Q43 R69 S70	T21-S45 WeakPolarHBondContact O-CA 3.41Å; T21-S45 WeakPolarHBondContact O-CB 3.46Å; T21-S45 PolarHBondContact O-N 2.73Å; Q43-S45 PolarHBondContact O-N 2.92Å; S45-R69 PolarHBondContact O-N 2.97Å; S45-S70 PolarHBondContact O-N 3.43Å; S45-S70 VanDerWaalsContact O-N 3.07Å
46	E	98.3	Very high	96.2	Very high	82 Å²	82	38.5 Å²	38.5	38%	0.383	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.4	-176.6	-61.4	177.4	162	0	0	111	T21 S22 L23 F48	T21-E46 PolarHBondContact O-N 3.31Å; T21-E46 VanDerWaalsContact O-N 3.1Å; S22-E46 WeakPolarHBondContact CA-O 3.32Å; S22-E46 PolarHBondContact OG-OE2 2.93Å; L23-E46 PolarHBondContact N-O 2.93Å; E46-F48 HydrophobicContact CB-CE2 3.84Å; E46-F48 HydrophobicContact CB-CZ 4.36Å
47	L	98.1	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.5	178.1	178.5	59.1	0	0	0	110	L23 L25 F38 L44 L49 F62 L68 S70 I71 H72	L23-L47 HydrophobicContact CB-CD1 4.11Å; L23-L47 HydrophobicContact CD2-CD1 3.9Å; L23-L47 HydrophobicContact CG-CD1 4.03Å; L25-L47 HydrophobicContact CD1-CD1 4.48Å; F38-L47 HydrophobicContact CD2-CD2 4.02Å; F38-L47 HydrophobicContact CE1-CD1 4.27Å; F38-L47 HydrophobicContact CE2-CD2 3.74Å; F38-L47 HydrophobicContact CZ-CD1 4.26Å; F38-L47 HydrophobicContact CZ-CD2 4.07Å; L44-L47 HydrophobicContact CD2-CB 4.31Å; L44-L47 HydrophobicContact CD2-CD1 4.41Å; L47-L49 HydrophobicContact CD1-CD1 4.25Å; L47-L49 HydrophobicContact CD1-CG 4.18Å; L47-L49 HydrophobicContact CD2-CD1 3.72Å; L47-L49 HydrophobicContact CG-CD1 3.77Å; L47-L49 HydrophobicContact CG-CG 4.07Å; L47-F62 HydrophobicContact CD2-CD1 4.16Å; L47-F62 HydrophobicContact CD2-CE1 3.75Å; L47-L68 HydrophobicContact CB-CD1 4.16Å; L47-S70 PolarHBondContact N-O 2.8Å; L47-I71 WeakPolarHBondContact O-CA 3.18Å; L47-H72 PolarHBondContact O-N 2.9Å
48	F	98.5	Very high	96.5	Very high	52 Å²	52	36.9 Å²	36.9	23%	0.228	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.3	177.2	-54.8	-95.1	0	0	0	110.2	L23 D24 L25 S26 E46 H72	L23-F48 PolarHBondContact O-N 3.07Å; D24-F48 HydrophobicContact CB-CB 4.3Å; D24-F48 HydrophobicContact CB-CD2 4.31Å; D24-F48 WeakPolarHBondContact OD1-CB 2.87Å; L25-F48 CarbonylContact C-O 3.56Å; L25-F48 WeakPolarHBondContact CA-O 3.43Å; L25-F48 WeakPolarHBondContact CB-O 3.43Å; L25-F48 PolarHBondContact N-O 3.1Å; S26-F48 PolarHBondContact N-O 2.78Å; S26-F48 WeakPolarHBondContact OG-CB 3.37Å; E46-F48 HydrophobicContact CB-CE2 3.84Å; E46-F48 HydrophobicContact CB-CZ 4.36Å; F48-H72 HydrophobicContact CD1-CB 4.05Å; F48-H72 AromaticContact CD1-CD2 3.32Å; F48-H72 WeakPolarHBondContact CD1-CD2 3.28Å; F48-H72 AromaticContact CD1-CG 3.64Å; F48-H72 AromaticContact CD1-NE2 3.85Å; F48-H72 AromaticContact CE1-CD2 3.32Å; F48-H72 WeakPolarHBondContact CE1-CD2 3.35Å; F48-H72 AromaticContact CE1-CE1 3.94Å; F48-H72 AromaticContact CE1-CG 3.95Å; F48-H72 AromaticContact CE1-NE2 3.33Å; F48-H72 VanDerWaalsContact CE1-NE2 3.33Å; F48-H72 WeakPolarHBondContact CE1-NE2 3.33Å
49	L	98.2	Very high	96.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.197	C	C	.	.			trans	-125.6	18.4	179.6	-73.1	158.6	0	0	0	110.9	L25 I30 I33 L47 N52 I54 H72 L73 N76	L25-L49 HydrophobicContact CB-CD2 3.92Å; L25-L49 HydrophobicContact CD1-CD2 3.95Å; I30-L49 HydrophobicContact CD1-CD2 3.87Å; I33-L49 HydrophobicContact CD1-CD1 3.54Å; L47-L49 HydrophobicContact CD1-CD1 4.25Å; L47-L49 HydrophobicContact CD1-CG 4.18Å; L47-L49 HydrophobicContact CD2-CD1 3.72Å; L47-L49 HydrophobicContact CG-CD1 3.77Å; L47-L49 HydrophobicContact CG-CG 4.07Å; L49-N52 PolarHBondContact O-ND2 3.26Å; L49-I54 HydrophobicContact CB-CD1 3.92Å; L49-I54 HydrophobicContact CD1-CD1 4.49Å; L49-I54 HydrophobicContact CD2-CD1 4.22Å; L49-I54 HydrophobicContact CG-CD1 4.46Å; L49-H72 CarbonylContact C-O 3.13Å; L49-H72 VanDerWaalsContact CA-O 3.31Å; L49-H72 WeakPolarHBondContact CA-O 3.14Å; L49-H72 WeakPolarHBondContact CB-O 3.47Å; L49-H72 PolarHBondContact N-O 3.4Å; L49-L73 HydrophobicContact CB-CD2 4.08Å; L49-L73 HydrophobicContact CD1-CD2 4.05Å; L49-N76 PolarHBondContact O-ND2 3.11Å
50	S	98.3	Very high	96.7	Very high	12 Å²	12	40.3 Å²	40.3	8%	0.084	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	149.6	-176	-50.9	0	0	0	0	111.6	S26 G27 N52 H72 D74	S26-S50 CarbonylContact C-O 3.37Å; S26-S50 WeakPolarHBondContact CA-O 3.49Å; S26-S50 VanDerWaalsContact CB-O 3.32Å; S26-S50 WeakPolarHBondContact CB-O 3.47Å; G27-S50 PolarHBondContact N-O 2.93Å; S50-N52 VanDerWaalsContact C-N 3.34Å; S50-N52 PolarHBondContact O-N 3.25Å; S50-N52 PolarHBondContact O-ND2 3.06Å; S50-H72 PolarHBondContact N-O 2.92Å; S50-H72 WeakPolarHBondContact OG-CB 3.3Å; S50-D74 CarbonylContact C-O 3.44Å; S50-D74 WeakPolarHBondContact CA-O 3.49Å; S50-D74 WeakPolarHBondContact CB-OD1 3.5Å; S50-D74 WeakPolarHBondContact CB-OD2 3.44Å; S50-D74 VanDerWaalsContact OG-CG 3.3Å; S50-D74 PolarHBondContact OG-OD1 3.29Å; S50-D74 PolarHBondContact OG-OD2 3.41Å
51	K	98.2	Very high	97	Very high	115 Å²	115	40.2 Å²	40.2	50%	0.5	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	43	176.7	-53.5	174.8	-173.2	175.4	0	113.2	G27 D74 R75	G27-K51 VanDerWaalsContact CA-O 3.3Å; G27-K51 WeakPolarHBondContact CA-O 3.49Å; G27-K51 PolarHBondContact N-O 3.03Å; K51-D74 PolarHBondContact N-O 3.23Å; K51-R75 WeakPolarHBondContact CA-O 3.08Å; K51-R75 HydrophobicContact CB-CB 4.44Å; K51-R75 HydrophobicContact CG-CB 3.82Å; K51-R75 HydrophobicContact CG-CG 4.34Å; K51-R75 PolarHBondContact N-O 2.82Å
52	N	98.1	Very high	97.1	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.059	20%	0.2	C	C	.	.	S	Bend	trans	-107.1	-165	170.3	-85.6	-83.6	0	0	0	110	L25 N28 E29 I30 L49 S50 I54 N76	L25-N52 PolarHBondContact O-ND2 3.32Å; N28-N52 VanDerWaalsContact CA-OD1 3.28Å; N28-N52 WeakPolarHBondContact CA-OD1 3.43Å; N28-N52 WeakPolarHBondContact CB-OD1 3.46Å; N28-N52 PolarHBondContact N-OD1 3.45Å; N28-N52 PolarHBondContact O-OD1 3.27Å; E29-N52 PolarHBondContact N-OD1 2.95Å; I30-N52 HydrophobicContact CB-CB 4.31Å; I30-N52 WeakPolarHBondContact CB-OD1 3.47Å; I30-N52 WeakPolarHBondContact CG1-OD1 3.15Å; I30-N52 PolarHBondContact N-OD1 3.26Å; L49-N52 PolarHBondContact O-ND2 3.26Å; S50-N52 VanDerWaalsContact C-N 3.34Å; S50-N52 PolarHBondContact O-N 3.25Å; S50-N52 PolarHBondContact O-ND2 3.06Å; N52-I54 HydrophobicContact CB-CD1 4.07Å; N52-I54 HydrophobicContact CB-CG1 3.92Å; N52-N76 VanDerWaalsContact CA-OD1 3.26Å; N52-N76 WeakPolarHBondContact CA-OD1 3.49Å; N52-N76 WeakPolarHBondContact CB-OD1 3.39Å; N52-N76 PolarHBondContact N-OD1 2.82Å; N52-N76 PolarHBondContact O-OD1 2.86Å
53	K	97.8	Very high	97.1	Very high	83 Å²	83	44.1 Å²	44.1	36%	0.361	21%	0.21	S	C	.	.			trans	-112.4	26.3	179.1	-69.7	-177	-176	171	0	111.8	E29 I30 E31 T55 N76 M77	E29-K53 IonicContact OE1-NZ 3.6Å; I30-K53 CarbonylContact O-C 3.54Å; I30-K53 VanDerWaalsContact O-CA 3.31Å; I30-K53 WeakPolarHBondContact O-CA 3.25Å; I30-K53 PolarHBondContact O-N 3.34Å; E31-K53 WeakPolarHBondContact CA-O 3.32Å; E31-K53 HydrophobicContact CG-CB 4.04Å; K53-T55 PolarHBondContact O-N 3.38Å; K53-N76 PolarHBondContact N-OD1 3.3Å; K53-M77 HydrophobicContact CB-CE 3.51Å; K53-M77 HydrophobicContact CG-CE 3.93Å; K53-M77 VanDerWaalsContact O-CE 3.31Å; K53-M77 WeakPolarHBondContact O-CE 3.46Å
54	I	98.4	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.			trans	-68.2	124.3	-167.2	-58.8	166.6	0	0	0	109.9	I30 E31 I33 L49 N52 I57 L73 N76 M77 L78	I30-I54 HydrophobicContact CB-CG1 4.38Å; I30-I54 HydrophobicContact CG2-CG1 4.15Å; I30-I54 VanDerWaalsContact O-CG1 3.31Å; I30-I54 WeakPolarHBondContact O-CG1 3.25Å; I30-I54 PolarHBondContact O-N 2.86Å; I30-I54 VanDerWaalsContact O-N 3.09Å; E31-I54 CarbonylContact O-C 3.55Å; E31-I54 WeakPolarHBondContact O-CA 2.94Å; I33-I54 HydrophobicContact CD1-CD1 4.17Å; I33-I54 HydrophobicContact CG1-CD1 4.24Å; I33-I54 HydrophobicContact CG1-CG2 4.3Å; L49-I54 HydrophobicContact CB-CD1 3.92Å; L49-I54 HydrophobicContact CD1-CD1 4.49Å; L49-I54 HydrophobicContact CD2-CD1 4.22Å; L49-I54 HydrophobicContact CG-CD1 4.46Å; N52-I54 HydrophobicContact CB-CD1 4.07Å; N52-I54 HydrophobicContact CB-CG1 3.92Å; I54-I57 HydrophobicContact CG2-CG1 4.12Å; I54-L73 HydrophobicContact CD1-CD2 3.87Å; I54-N76 HydrophobicContact CB-CB 4.15Å; I54-N76 VanDerWaalsContact CB-OD1 3.32Å; I54-N76 WeakPolarHBondContact CB-OD1 3.28Å; I54-N76 VanDerWaalsContact CG1-OD1 3.29Å; I54-N76 WeakPolarHBondContact CG1-OD1 3.27Å; I54-N76 PolarHBondContact N-OD1 2.7Å; I54-M77 CarbonylContact O-C 3.48Å; I54-M77 VanDerWaalsContact O-CA 3.31Å; I54-M77 WeakPolarHBondContact O-CA 3.39Å; I54-M77 PolarHBondContact O-N 2.87Å; I54-L78 HydrophobicContact CG2-CD2 3.96Å; I54-L78 HydrophobicContact CG2-CG 4.4Å; I54-L78 PolarHBondContact O-N 3.26Å; I54-L78 VanDerWaalsContact O-N 3.11Å
55	T	97.7	Very high	96.9	Very high	59 Å²	59	41.1 Å²	41.1	36%	0.362	20%	0.204	S	C	.	.			trans	-115.2	-18.2	177.5	55.6	0	0	0	0	112.7	E31 K53 M77	E31-T55 PolarHBondContact O-N 2.65Å; E31-T55 PolarHBondContact O-OG1 2.84Å; K53-T55 PolarHBondContact O-N 3.38Å; T55-M77 HydrophobicContact CG2-CB 3.79Å; T55-M77 HydrophobicContact CG2-CE 4.14Å
56	Y	97.2	Very high	96.6	Very high	100 Å²	100	43.1 Å²	43.1	39%	0.392	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.2	-175	176.7	-99.5	0	0	0	111.6	K32 I33 D58	K32-Y56 WeakPolarHBondContact CA-O 3.46Å; I33-Y56 PolarHBondContact N-O 2.91Å; Y56-D58 HydrophobicContact CE1-CB 3.89Å; Y56-D58 PolarHBondContact OH-OD2 2.89Å
57	I	97.6	Very high	96.5	Very high	18 Å²	18	42 Å²	42	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.8	172.4	-58.9	176.6	0	0	0	106.7	I33 I54 A61 F62 L73 L78 F86	I33-I57 HydrophobicContact CB-CG1 4.48Å; I33-I57 HydrophobicContact CB-CG2 4.44Å; I33-I57 HydrophobicContact CD1-CD1 4.26Å; I33-I57 HydrophobicContact CD1-CG1 4.02Å; I33-I57 HydrophobicContact CG1-CG1 4.31Å; I54-I57 HydrophobicContact CG2-CG1 4.12Å; I57-A61 HydrophobicContact CG2-CB 3.66Å; I57-F62 HydrophobicContact CG2-CE2 3.7Å; I57-F62 HydrophobicContact CG2-CZ 4.11Å; I57-L73 HydrophobicContact CD1-CD1 3.57Å; I57-L73 HydrophobicContact CD1-CD2 3.99Å; I57-L73 HydrophobicContact CD1-CG 4.44Å; I57-L78 HydrophobicContact CD1-CD1 4.04Å; I57-L78 HydrophobicContact CD1-CD2 4.17Å; I57-L78 HydrophobicContact CG1-CD2 4.1Å; I57-F86 HydrophobicContact CD1-CZ 4.38Å
58	D	97	Very high	96.5	Very high	38 Å²	38	42 Å²	42	20%	0.203	21%	0.212	C	C	.	.			trans	-69	158.3	177.9	-161	-90.7	0	0	0	112.7	I33 A35 Y56 D60 A61 S85	I33-D58 WeakPolarHBondContact O-CB 3.38Å; I33-D58 PolarHBondContact O-N 2.96Å; A35-D58 HydrophobicContact CB-CB 4.45Å; Y56-D58 HydrophobicContact CE1-CB 3.89Å; Y56-D58 PolarHBondContact OH-OD2 2.89Å; D58-D60 VanDerWaalsContact C-N 3.26Å; D58-D60 PolarHBondContact O-N 3.31Å; D58-D60 PolarHBondContact OD1-N 3.41Å; D58-A61 HydrophobicContact CB-CB 4.19Å; D58-A61 VanDerWaalsContact O-CB 3.24Å; D58-A61 WeakPolarHBondContact O-CB 3.34Å; D58-A61 PolarHBondContact O-N 3.03Å; D58-S85 WeakPolarHBondContact O-CB 2.99Å; D58-S85 PolarHBondContact O-OG 3.21Å
59	V	96.5	Very high	96.4	Very high	68 Å²	68	46.4 Å²	46.4	41%	0.412	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.2	176.9	174.1	0	0	0	0	111.6	N84 S85	V59-N84 HydrophobicContact CG1-CB 3.71Å; V59-N84 HydrophobicContact CG2-CB 4.19Å; V59-S85 WeakPolarHBondContact O-CA 2.98Å
60	D	95.7	Very high	96.4	Very high	45 Å²	45	46.8 Å²	46.8	24%	0.241	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14	177.8	-77.2	-42.8	0	0	0	112.8	A35 Y36 D58 F62 R63	A35-D60 HydrophobicContact CB-CB 3.91Å; Y36-D60 HydrophobicContact CE1-CB 4.2Å; Y36-D60 HydrophobicContact CE2-CB 3.93Å; Y36-D60 PolarHBondContact N-O 3.29Å; Y36-D60 VanDerWaalsContact OH-CG 3.26Å; Y36-D60 PolarHBondContact OH-OD2 3.45Å; D58-D60 VanDerWaalsContact C-N 3.26Å; D58-D60 PolarHBondContact O-N 3.31Å; D58-D60 PolarHBondContact OD1-N 3.41Å; D60-F62 VanDerWaalsContact C-N 3.33Å; D60-F62 PolarHBondContact O-N 3.3Å; D60-R63 HydrophobicContact CB-CB 4.34Å; D60-R63 WeakPolarHBondContact O-CB 3.31Å; D60-R63 PolarHBondContact O-N 2.99Å; D60-R63 WeakPolarHBondContact OD1-CD 3.48Å; D60-R63 IonicContact OD1-CZ 3.74Å; D60-R63 IonicContact OD1-NE 3.62Å; D60-R63 IonicContact OD1-NH1 3.76Å; D60-R63 PolarHBondContact OD1-NH1 3.03Å; D60-R63 IonicContact OD2-NH1 3.65Å
61	A	95.9	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-42.4	-174.1	0	0	0	0	0	114.1	I33 E34 I57 D58	I33-A61 HydrophobicContact CB-CB 4.26Å; I33-A61 HydrophobicContact CG2-CB 3.71Å; E34-A61 WeakPolarHBondContact O-CA 3.37Å; I57-A61 HydrophobicContact CG2-CB 3.66Å; D58-A61 HydrophobicContact CB-CB 4.19Å; D58-A61 VanDerWaalsContact O-CB 3.24Å; D58-A61 WeakPolarHBondContact O-CB 3.34Å; D58-A61 PolarHBondContact O-N 3.03Å
62	F	96	Very high	96.4	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	14.7	-177	-52.5	-65.1	0	0	0	113.2	I33 F38 L47 I57 D60 L65 I71 F86 L89	I33-F62 HydrophobicContact CD1-CE1 4.14Å; I33-F62 HydrophobicContact CD1-CZ 3.83Å; I33-F62 HydrophobicContact CG2-CE1 4.48Å; F38-F62 HydrophobicContact CD2-CD1 4.13Å; F38-F62 HydrophobicContact CD2-CE1 4.35Å; F38-F62 HydrophobicContact CE2-CD1 4.38Å; F38-F62 HydrophobicContact CE2-CE1 4.13Å; L47-F62 HydrophobicContact CD2-CD1 4.16Å; L47-F62 HydrophobicContact CD2-CE1 3.75Å; I57-F62 HydrophobicContact CG2-CE2 3.7Å; I57-F62 HydrophobicContact CG2-CZ 4.11Å; D60-F62 VanDerWaalsContact C-N 3.33Å; D60-F62 PolarHBondContact O-N 3.3Å; F62-L65 HydrophobicContact CB-CD1 4.22Å; F62-L65 HydrophobicContact CD1-CD1 4.37Å; F62-L65 WeakPolarHBondContact O-CB 3.39Å; F62-L65 PolarHBondContact O-N 3Å; F62-I71 HydrophobicContact CD1-CD1 4.31Å; F62-I71 HydrophobicContact CD2-CD1 4.25Å; F62-I71 HydrophobicContact CE1-CD1 4.26Å; F62-I71 HydrophobicContact CE2-CD1 4.19Å; F62-I71 HydrophobicContact CG-CD1 4.31Å; F62-I71 HydrophobicContact CZ-CD1 4.19Å; F62-I71 HydrophobicContact CZ-CG2 4.47Å; F62-F86 HydrophobicContact CD2-CD1 4.18Å; F62-F86 HydrophobicContact CD2-CE1 4.02Å; F62-F86 HydrophobicContact CE2-CD1 4.13Å; F62-F86 AromaticContact CE2-CE1 3.5Å; F62-F86 HydrophobicContact CE2-CE1 3.5Å; F62-F86 VanDerWaalsContact CE2-CE1 3.5Å; F62-F86 AromaticContact CE2-CZ 3.92Å; F62-F86 HydrophobicContact CE2-CZ 3.92Å; F62-F86 HydrophobicContact CZ-CE1 4.39Å; F62-L89 HydrophobicContact CB-CD1 3.89Å; F62-L89 HydrophobicContact CB-CD2 3.93Å; F62-L89 HydrophobicContact CB-CG 4.2Å; F62-L89 HydrophobicContact CD2-CD1 4.24Å; F62-L89 HydrophobicContact CG-CD1 4.21Å
63	R	93.8	Very high	96.4	Very high	119 Å²	119	42.1 Å²	42.1	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	138.7	-179.7	-170.2	156.7	174.7	-177.2	0.2	110.5	Y36 D60	Y36-R63 HydrophobicContact CD1-CB 4.09Å; Y36-R63 HydrophobicContact CD1-CG 4.38Å; Y36-R63 HydrophobicContact CE1-CB 3.96Å; Y36-R63 HydrophobicContact CE1-CG 3.9Å; Y36-R63 PolarHBondContact OH-NH1 2.93Å; D60-R63 HydrophobicContact CB-CB 4.34Å; D60-R63 WeakPolarHBondContact O-CB 3.31Å; D60-R63 PolarHBondContact O-N 2.99Å; D60-R63 WeakPolarHBondContact OD1-CD 3.48Å; D60-R63 IonicContact OD1-CZ 3.74Å; D60-R63 IonicContact OD1-NE 3.62Å; D60-R63 IonicContact OD1-NH1 3.76Å; D60-R63 PolarHBondContact OD1-NH1 3.03Å; D60-R63 IonicContact OD2-NH1 3.65Å
64	G	90.7	Very high	96.4	Very high	26 Å²	26	39 Å²	39	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	9.2	-177.3	0	0	0	0	0	115	P66	G64-P66 WeakPolarHBondContact O-CD 3.12Å
65	L	94.8	Very high	96.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.215	C	C	.	.			trans	-108.8	69.6	177.1	-57.4	-178	0	0	0	112	F38 A41 L44 F62 I67 L68 L89	F38-L65 HydrophobicContact CB-CD1 3.82Å; F38-L65 HydrophobicContact CB-CD2 4.07Å; F38-L65 HydrophobicContact CB-CG 4.31Å; F38-L65 VanDerWaalsContact O-CD2 3.28Å; F38-L65 WeakPolarHBondContact O-CD2 3.34Å; A41-L65 HydrophobicContact CB-CD2 4.49Å; A41-L65 VanDerWaalsContact O-CD2 3.27Å; A41-L65 WeakPolarHBondContact O-CD2 3.26Å; L44-L65 HydrophobicContact CB-CD2 4.21Å; L44-L65 HydrophobicContact CD2-CD1 4.4Å; F62-L65 HydrophobicContact CB-CD1 4.22Å; F62-L65 HydrophobicContact CD1-CD1 4.37Å; F62-L65 WeakPolarHBondContact O-CB 3.39Å; F62-L65 PolarHBondContact O-N 3Å; L65-I67 VanDerWaalsContact C-N 3.25Å; L65-I67 PolarHBondContact O-N 3.33Å; L65-L68 HydrophobicContact CB-CB 3.99Å; L65-L68 HydrophobicContact CB-CD2 4.35Å; L65-L68 HydrophobicContact CD1-CD2 3.74Å; L65-L68 PolarHBondContact O-N 3.39Å; L65-L89 HydrophobicContact CB-CD2 4.17Å; L65-L89 WeakPolarHBondContact O-CD2 3.35Å
66	P	92.7	Very high	96.4	Very high	72 Å²	72	41.9 Å²	41.9	47%	0.468	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24	-168.1	27.9	-36.7	0	0	0	114	G64 N91	G64-P66 WeakPolarHBondContact O-CD 3.12Å; P66-N91 PolarHBondContact O-ND2 2.94Å
67	I	95.2	Very high	96.5	Very high	58 Å²	58	41.4 Å²	41.4	30%	0.297	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	6.1	-175.7	69.1	167.1	0	0	0	114	Q43 L65 R69	Q43-I67 HydrophobicContact CB-CD1 4.37Å; Q43-I67 WeakPolarHBondContact O-CD1 3.18Å; L65-I67 VanDerWaalsContact C-N 3.25Å; L65-I67 PolarHBondContact O-N 3.33Å; I67-R69 VanDerWaalsContact O-CG 3.28Å; I67-R69 WeakPolarHBondContact O-CG 3.39Å; I67-R69 PolarHBondContact O-N 3.01Å
68	L	97.4	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.			trans	-62.4	126.9	-179.1	-167.8	73.1	0	0	0	110.6	L44 L47 L65 I71 L89 N91 L92	L44-L68 HydrophobicContact CB-CD1 4.35Å; L44-L68 HydrophobicContact CD2-CD1 4.1Å; L44-L68 HydrophobicContact CG-CD1 3.93Å; L44-L68 VanDerWaalsContact O-CA 3.27Å; L44-L68 WeakPolarHBondContact O-CA 3.1Å; L44-L68 WeakPolarHBondContact O-CD1 3.49Å; L44-L68 PolarHBondContact O-N 3.41Å; L47-L68 HydrophobicContact CB-CD1 4.16Å; L65-L68 HydrophobicContact CB-CB 3.99Å; L65-L68 HydrophobicContact CB-CD2 4.35Å; L65-L68 HydrophobicContact CD1-CD2 3.74Å; L65-L68 PolarHBondContact O-N 3.39Å; L68-I71 HydrophobicContact CD2-CD1 3.64Å; L68-I71 HydrophobicContact CD2-CG1 3.6Å; L68-I71 HydrophobicContact CG-CG1 4.21Å; L68-L89 HydrophobicContact CB-CD2 4.26Å; L68-L89 HydrophobicContact CD2-CD1 4.13Å; L68-L89 HydrophobicContact CD2-CD2 4.16Å; L68-N91 CarbonylContact O-C 3.51Å; L68-L92 PolarHBondContact O-N 2.94Å
69	R	97.4	Very high	96.5	Very high	144 Å²	144	41 Å²	41	54%	0.543	20%	0.202	S	C	.	.			trans	-113	-34.6	-174.4	-58.3	-171.5	177.2	-163.1	-3.6	113.4	S45 I67 N91 N93 V94	S45-R69 PolarHBondContact O-N 2.97Å; I67-R69 VanDerWaalsContact O-CG 3.28Å; I67-R69 WeakPolarHBondContact O-CG 3.39Å; I67-R69 PolarHBondContact O-N 3.01Å; R69-N91 WeakPolarHBondContact CA-O 3.12Å; R69-N93 PolarHBondContact O-N 3.16Å; R69-V94 PolarHBondContact O-N 2.85Å
70	S	97.8	Very high	96.5	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.4	-176.5	-165.6	0	0	0	0	111.9	S45 L47 H72 V94	S45-S70 PolarHBondContact O-N 3.43Å; S45-S70 VanDerWaalsContact O-N 3.07Å; L47-S70 PolarHBondContact N-O 2.8Å; S70-H72 PolarHBondContact OG-CD2 2.86Å; S70-H72 PolarHBondContact OG-NE2 3.42Å; S70-V94 WeakPolarHBondContact CA-O 3.29Å; S70-V94 WeakPolarHBondContact OG-CB 3.32Å; S70-V94 WeakPolarHBondContact OG-CG1 3.32Å
71	I	97.9	Very high	96.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.2	169.9	-59.2	173.8	0	0	0	108.3	L47 F62 L68 L73 F86 L89 L92 V94 L95 N96	L47-I71 WeakPolarHBondContact O-CA 3.18Å; F62-I71 HydrophobicContact CD1-CD1 4.31Å; F62-I71 HydrophobicContact CD2-CD1 4.25Å; F62-I71 HydrophobicContact CE1-CD1 4.26Å; F62-I71 HydrophobicContact CE2-CD1 4.19Å; F62-I71 HydrophobicContact CG-CD1 4.31Å; F62-I71 HydrophobicContact CZ-CD1 4.19Å; F62-I71 HydrophobicContact CZ-CG2 4.47Å; L68-I71 HydrophobicContact CD2-CD1 3.64Å; L68-I71 HydrophobicContact CD2-CG1 3.6Å; L68-I71 HydrophobicContact CG-CG1 4.21Å; I71-L73 HydrophobicContact CG2-CD1 3.81Å; I71-L73 HydrophobicContact CG2-CG 3.81Å; I71-F86 HydrophobicContact CD1-CD1 4.2Å; I71-F86 HydrophobicContact CD1-CE1 4.1Å; I71-L89 HydrophobicContact CD1-CD1 3.61Å; I71-L92 HydrophobicContact CB-CD1 4.42Å; I71-L92 HydrophobicContact CD1-CD1 3.84Å; I71-L92 HydrophobicContact CG1-CD1 3.81Å; I71-V94 PolarHBondContact N-O 3.42Å; I71-L95 HydrophobicContact CB-CD1 3.86Å; I71-L95 HydrophobicContact CG2-CD1 4.03Å; I71-L95 CarbonylContact O-C 3.34Å; I71-L95 WeakPolarHBondContact O-CA 3.09Å; I71-N96 PolarHBondContact O-N 2.98Å
72	H	98.2	Very high	96.4	Very high	39 Å²	39	45.3 Å²	45.3	18%	0.181	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.9	173.9	-60.9	-103.7	0	0	0	110.3	L47 F48 L49 S50 S70 N96	L47-H72 PolarHBondContact O-N 2.9Å; F48-H72 HydrophobicContact CD1-CB 4.05Å; F48-H72 AromaticContact CD1-CD2 3.32Å; F48-H72 WeakPolarHBondContact CD1-CD2 3.28Å; F48-H72 AromaticContact CD1-CG 3.64Å; F48-H72 AromaticContact CD1-NE2 3.85Å; F48-H72 AromaticContact CE1-CD2 3.32Å; F48-H72 WeakPolarHBondContact CE1-CD2 3.35Å; F48-H72 AromaticContact CE1-CE1 3.94Å; F48-H72 AromaticContact CE1-CG 3.95Å; F48-H72 AromaticContact CE1-NE2 3.33Å; F48-H72 VanDerWaalsContact CE1-NE2 3.33Å; F48-H72 WeakPolarHBondContact CE1-NE2 3.33Å; L49-H72 CarbonylContact C-O 3.13Å; L49-H72 VanDerWaalsContact CA-O 3.31Å; L49-H72 WeakPolarHBondContact CA-O 3.14Å; L49-H72 WeakPolarHBondContact CB-O 3.47Å; L49-H72 PolarHBondContact N-O 3.4Å; S50-H72 PolarHBondContact N-O 2.92Å; S50-H72 WeakPolarHBondContact OG-CB 3.3Å; S70-H72 PolarHBondContact OG-CD2 2.86Å; S70-H72 PolarHBondContact OG-NE2 3.42Å; H72-N96 HydrophobicContact CB-CB 4.43Å
73	L	98.2	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.			trans	-117.8	15.1	179.5	-75.3	161.8	0	0	0	111.8	I33 L49 I54 I57 I71 N76 L78 F86 L95 N96 L97 N100	I33-L73 HydrophobicContact CD1-CD2 4.12Å; L49-L73 HydrophobicContact CB-CD2 4.08Å; L49-L73 HydrophobicContact CD1-CD2 4.05Å; I54-L73 HydrophobicContact CD1-CD2 3.87Å; I57-L73 HydrophobicContact CD1-CD1 3.57Å; I57-L73 HydrophobicContact CD1-CD2 3.99Å; I57-L73 HydrophobicContact CD1-CG 4.44Å; I71-L73 HydrophobicContact CG2-CD1 3.81Å; I71-L73 HydrophobicContact CG2-CG 3.81Å; L73-N76 PolarHBondContact O-ND2 3.07Å; L73-L78 HydrophobicContact CB-CD1 4.3Å; L73-L78 HydrophobicContact CD1-CD1 4.48Å; L73-L78 HydrophobicContact CD2-CD1 4.5Å; L73-F86 HydrophobicContact CD1-CZ 4.39Å; L73-L95 HydrophobicContact CD1-CD1 4.12Å; L73-N96 CarbonylContact C-O 3.56Å; L73-N96 WeakPolarHBondContact CA-O 3.26Å; L73-N96 WeakPolarHBondContact CB-O 3.31Å; L73-N96 PolarHBondContact N-O 2.93Å; L73-L97 HydrophobicContact CB-CD2 4.23Å; L73-L97 HydrophobicContact CD1-CD2 4.18Å; L73-N100 PolarHBondContact O-ND2 3.42Å
74	D	98.1	Very high	96.4	Very high	19 Å²	19	43.2 Å²	43.2	10%	0.102	22%	0.218	C	C	.	.			trans	-65.8	152.6	-179.3	59.4	-79.1	0	0	0	112.7	S50 K51 N76 N96 M98	S50-D74 CarbonylContact C-O 3.44Å; S50-D74 WeakPolarHBondContact CA-O 3.49Å; S50-D74 WeakPolarHBondContact CB-OD1 3.5Å; S50-D74 WeakPolarHBondContact CB-OD2 3.44Å; S50-D74 VanDerWaalsContact OG-CG 3.3Å; S50-D74 PolarHBondContact OG-OD1 3.29Å; S50-D74 PolarHBondContact OG-OD2 3.41Å; K51-D74 PolarHBondContact N-O 3.23Å; D74-N76 PolarHBondContact O-ND2 3.26Å; D74-N96 VanDerWaalsContact CG-ND2 3.33Å; D74-N96 PolarHBondContact N-O 2.98Å; D74-N96 PolarHBondContact OD1-ND2 3.44Å; D74-M98 CarbonylContact C-O 3.57Å; D74-M98 WeakPolarHBondContact CA-O 3.31Å; D74-M98 HydrophobicContact CB-CB 4.27Å; D74-M98 WeakPolarHBondContact CB-O 3.24Å
75	R	98.3	Very high	96.6	Very high	110 Å²	110	42.1 Å²	42.1	42%	0.415	21%	0.206	S	C	.	.	S	Bend	trans	58.6	49.3	179.5	-58.5	177.5	-179.4	-167.8	5.1	112.6	K51 M98 E99	K51-R75 WeakPolarHBondContact CA-O 3.08Å; K51-R75 HydrophobicContact CB-CB 4.44Å; K51-R75 HydrophobicContact CG-CB 3.82Å; K51-R75 HydrophobicContact CG-CG 4.34Å; K51-R75 PolarHBondContact N-O 2.82Å; R75-M98 PolarHBondContact N-O 2.93Å; R75-E99 VanDerWaalsContact CA-O 3.26Å; R75-E99 WeakPolarHBondContact CA-O 3.41Å; R75-E99 HydrophobicContact CB-CB 4.48Å; R75-E99 HydrophobicContact CG-CB 3.71Å; R75-E99 HydrophobicContact CG-CG 4.22Å; R75-E99 VanDerWaalsContact CG-OE2 3.27Å; R75-E99 WeakPolarHBondContact CG-OE2 3.28Å; R75-E99 IonicContact CZ-OE1 3.06Å; R75-E99 IonicContact CZ-OE2 2.67Å; R75-E99 PolarHBondContact N-O 3.44Å; R75-E99 IonicContact NE-OE1 2.67Å; R75-E99 PolarHBondContact NE-OE1 3.17Å; R75-E99 IonicContact NE-OE2 3.85Å; R75-E99 PolarHBondContact NE-OE2 2.94Å; R75-E99 IonicContact NH2-OE1 2.86Å; R75-E99 PolarHBondContact NH2-OE1 3.39Å; R75-E99 IonicContact NH2-OE2 2.67Å
76	N	98.5	Very high	96.7	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.048	21%	0.205	C	C	.	.	S	Bend	trans	-119.1	-168.7	173.4	-84.5	-75.3	0	0	0	109.9	L49 N52 K53 I54 L73 D74 N100	L49-N76 PolarHBondContact O-ND2 3.11Å; N52-N76 VanDerWaalsContact CA-OD1 3.26Å; N52-N76 WeakPolarHBondContact CA-OD1 3.49Å; N52-N76 WeakPolarHBondContact CB-OD1 3.39Å; N52-N76 PolarHBondContact N-OD1 2.82Å; N52-N76 PolarHBondContact O-OD1 2.86Å; K53-N76 PolarHBondContact N-OD1 3.3Å; I54-N76 HydrophobicContact CB-CB 4.15Å; I54-N76 VanDerWaalsContact CB-OD1 3.32Å; I54-N76 WeakPolarHBondContact CB-OD1 3.28Å; I54-N76 VanDerWaalsContact CG1-OD1 3.29Å; I54-N76 WeakPolarHBondContact CG1-OD1 3.27Å; I54-N76 PolarHBondContact N-OD1 2.7Å; L73-N76 PolarHBondContact O-ND2 3.07Å; D74-N76 PolarHBondContact O-ND2 3.26Å; N76-N100 VanDerWaalsContact CA-OD1 3.3Å; N76-N100 WeakPolarHBondContact CA-OD1 3.46Å; N76-N100 WeakPolarHBondContact CB-OD1 3.5Å; N76-N100 PolarHBondContact N-OD1 3.23Å; N76-N100 PolarHBondContact O-OD1 3.11Å
77	M	98.2	Very high	96.6	Very high	89 Å²	89	43 Å²	43	44%	0.438	21%	0.206	S	C	.	.			trans	-113.9	29.3	-179.5	-62.9	-167.8	-71.7	0	0	111.9	K53 I54 T55 T79 N100	K53-M77 HydrophobicContact CB-CE 3.51Å; K53-M77 HydrophobicContact CG-CE 3.93Å; K53-M77 VanDerWaalsContact O-CE 3.31Å; K53-M77 WeakPolarHBondContact O-CE 3.46Å; I54-M77 CarbonylContact O-C 3.48Å; I54-M77 VanDerWaalsContact O-CA 3.31Å; I54-M77 WeakPolarHBondContact O-CA 3.39Å; I54-M77 PolarHBondContact O-N 2.87Å; T55-M77 HydrophobicContact CG2-CB 3.79Å; T55-M77 HydrophobicContact CG2-CE 4.14Å; M77-T79 PolarHBondContact O-N 2.82Å; M77-N100 PolarHBondContact N-OD1 3.39Å
78	L	98.2	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.			trans	-68.7	130.6	178.2	-67.6	166.1	0	0	0	109.7	I54 I57 L73 N100 M101 W102	I54-L78 HydrophobicContact CG2-CD2 3.96Å; I54-L78 HydrophobicContact CG2-CG 4.4Å; I54-L78 PolarHBondContact O-N 3.26Å; I54-L78 VanDerWaalsContact O-N 3.11Å; I57-L78 HydrophobicContact CD1-CD1 4.04Å; I57-L78 HydrophobicContact CD1-CD2 4.17Å; I57-L78 HydrophobicContact CG1-CD2 4.1Å; L73-L78 HydrophobicContact CB-CD1 4.3Å; L73-L78 HydrophobicContact CD1-CD1 4.48Å; L73-L78 HydrophobicContact CD2-CD1 4.5Å; L78-N100 HydrophobicContact CB-CB 4.24Å; L78-N100 VanDerWaalsContact CB-OD1 3.32Å; L78-N100 WeakPolarHBondContact CB-OD1 3.2Å; L78-N100 PolarHBondContact N-OD1 3.4Å; L78-M101 CarbonylContact O-C 3.59Å; L78-M101 VanDerWaalsContact O-C 3.28Å; L78-M101 WeakPolarHBondContact O-CA 3.37Å; L78-M101 PolarHBondContact O-N 3.43Å; L78-W102 HydrophobicContact CB-CH2 3.63Å; L78-W102 HydrophobicContact CB-CZ2 4.15Å; L78-W102 HydrophobicContact CB-CZ3 3.92Å; L78-W102 HydrophobicContact CD1-CH2 3.99Å; L78-W102 HydrophobicContact CD1-CZ2 4.42Å; L78-W102 HydrophobicContact CG-CH2 4.42Å
79	T	97.6	Very high	96.3	Very high	47 Å²	47	43 Å²	43	29%	0.288	21%	0.211	S	C	.	.			trans	-108.4	-29.3	176.2	52.1	0	0	0	0	112.2	M77 M101 I103	M77-T79 PolarHBondContact O-N 2.82Å; T79-M101 WeakPolarHBondContact CA-O 3.34Å; T79-M101 HydrophobicContact CG2-CB 3.97Å; T79-I103 HydrophobicContact CG2-CD1 4.46Å; T79-I103 PolarHBondContact O-N 3.16Å
80	K	95.5	Very high	96	Very high	144 Å²	144	44.2 Å²	44.2	63%	0.626	22%	0.223	S	C	*	.			trans	-142.1	157.6	-179.8	61	-177.7	178.5	-179.7	0	109.6
81	I	95.6	Very high	95.8	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.082	24%	0.238	C	C	.	.			trans	-149.9	138.8	-179.2	-172.4	161.3	0	0	0	108.6	F86 L97 W102 L108 F111	I81-F86 HydrophobicContact CD1-CE2 3.54Å; I81-F86 HydrophobicContact CD1-CZ 3.66Å; I81-F86 HydrophobicContact CG1-CE2 3.56Å; I81-F86 HydrophobicContact CG1-CZ 4.15Å; I81-L97 HydrophobicContact CD1-CD1 4.36Å; I81-L97 HydrophobicContact CD1-CD2 3.73Å; I81-W102 HydrophobicContact CB-CH2 3.81Å; I81-W102 HydrophobicContact CB-CZ3 3.62Å; I81-W102 HydrophobicContact CD1-CH2 3.97Å; I81-W102 HydrophobicContact CG2-CE3 4.33Å; I81-W102 HydrophobicContact CG2-CH2 3.82Å; I81-W102 HydrophobicContact CG2-CZ3 3.49Å; I81-W102 VanDerWaalsContact CG2-CZ3 3.49Å; I81-L108 HydrophobicContact CG2-CD1 3.63Å; I81-F111 HydrophobicContact CB-CD2 4.46Å; I81-F111 HydrophobicContact CB-CE2 4.47Å; I81-F111 HydrophobicContact CD1-CE1 4.25Å; I81-F111 HydrophobicContact CD1-CE2 3.75Å; I81-F111 HydrophobicContact CD1-CZ 3.58Å; I81-F111 HydrophobicContact CG1-CD2 4.03Å; I81-F111 HydrophobicContact CG1-CE2 3.67Å; I81-F111 HydrophobicContact CG1-CZ 3.98Å; I81-F111 HydrophobicContact CG2-CB 4.24Å; I81-F111 HydrophobicContact CG2-CD1 3.52Å; I81-F111 HydrophobicContact CG2-CD2 3.84Å; I81-F111 HydrophobicContact CG2-CE1 3.75Å; I81-F111 HydrophobicContact CG2-CE2 4.05Å; I81-F111 HydrophobicContact CG2-CG 3.57Å; I81-F111 HydrophobicContact CG2-CZ 4Å
82	S	94.4	Very high	95.8	Very high	44 Å²	44	47.5 Å²	47.5	31%	0.308	24%	0.239	S	C	.	.			trans	-103.5	138.4	178.2	-177.2	0	0	0	0	109.7	N84 S85 F86	S82-N84 PolarHBondContact O-N 3.4Å; S82-N84 PolarHBondContact OG-N 3.06Å; S82-S85 PolarHBondContact O-N 3.37Å; S82-F86 WeakPolarHBondContact O-CD2 3.26Å
83	V	94.7	Very high	95.6	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.3	-32.9	172	68.5	0	0	0	0	111.3	S85 F86 L87 E110 F111 W114	V83-S85 PolarHBondContact O-N 3.33Å; V83-S85 VanDerWaalsContact O-N 3.16Å; V83-F86 PolarHBondContact O-N 3.19Å; V83-L87 HydrophobicContact CG2-CD2 3.88Å; V83-L87 HydrophobicContact CG2-CG 4.28Å; V83-L87 PolarHBondContact O-N 2.88Å; V83-E110 HydrophobicContact CG1-CG 4.14Å; V83-F111 HydrophobicContact CB-CD2 4.35Å; V83-W114 HydrophobicContact CG2-CB 3.66Å; V83-W114 HydrophobicContact CG2-CD2 3.57Å; V83-W114 HydrophobicContact CG2-CE3 4.15Å; V83-W114 HydrophobicContact CG2-CG 3.32Å
84	N	95	Very high	95.5	Very high	72 Å²	72	53.5 Å²	53.5	39%	0.385	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-59.7	-32.1	-175.1	-65	-30.6	0	0	0	112.5	V59 S82 F86 L87	V59-N84 HydrophobicContact CG1-CB 3.71Å; V59-N84 HydrophobicContact CG2-CB 4.19Å; S82-N84 PolarHBondContact O-N 3.4Å; S82-N84 PolarHBondContact OG-N 3.06Å; N84-F86 PolarHBondContact O-N 3.23Å; N84-F86 VanDerWaalsContact O-N 3.17Å; N84-L87 WeakPolarHBondContact OD1-CD1 3.46Å
85	S	95.5	Very high	95.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61	-22.1	174.9	-61	0	0	0	0	113.9	D58 V59 S82 V83	D58-S85 WeakPolarHBondContact O-CB 2.99Å; D58-S85 PolarHBondContact O-OG 3.21Å; V59-S85 WeakPolarHBondContact O-CA 2.98Å; S82-S85 PolarHBondContact O-N 3.37Å; V83-S85 PolarHBondContact O-N 3.33Å; V83-S85 VanDerWaalsContact O-N 3.16Å
86	F	95.3	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-6.9	-173.2	-54.2	-88.8	0	0	0	113.7	I57 F62 I71 L73 I81 S82 V83 N84 S88 L89 L92 L95 F111 W114	I57-F86 HydrophobicContact CD1-CZ 4.38Å; F62-F86 HydrophobicContact CD2-CD1 4.18Å; F62-F86 HydrophobicContact CD2-CE1 4.02Å; F62-F86 HydrophobicContact CE2-CD1 4.13Å; F62-F86 AromaticContact CE2-CE1 3.5Å; F62-F86 HydrophobicContact CE2-CE1 3.5Å; F62-F86 VanDerWaalsContact CE2-CE1 3.5Å; F62-F86 AromaticContact CE2-CZ 3.92Å; F62-F86 HydrophobicContact CE2-CZ 3.92Å; F62-F86 HydrophobicContact CZ-CE1 4.39Å; I71-F86 HydrophobicContact CD1-CD1 4.2Å; I71-F86 HydrophobicContact CD1-CE1 4.1Å; L73-F86 HydrophobicContact CD1-CZ 4.39Å; I81-F86 HydrophobicContact CD1-CE2 3.54Å; I81-F86 HydrophobicContact CD1-CZ 3.66Å; I81-F86 HydrophobicContact CG1-CE2 3.56Å; I81-F86 HydrophobicContact CG1-CZ 4.15Å; S82-F86 WeakPolarHBondContact O-CD2 3.26Å; V83-F86 PolarHBondContact O-N 3.19Å; N84-F86 PolarHBondContact O-N 3.23Å; N84-F86 VanDerWaalsContact O-N 3.17Å; F86-S88 PolarHBondContact O-N 2.87Å; F86-L89 HydrophobicContact CD1-CD1 4.11Å; F86-L89 WeakPolarHBondContact O-CB 3.36Å; F86-L89 PolarHBondContact O-N 3.3Å; F86-L92 HydrophobicContact CD1-CD2 4.13Å; F86-L95 HydrophobicContact CD1-CD1 4.33Å; F86-L95 HydrophobicContact CD1-CD2 4.15Å; F86-L95 HydrophobicContact CE1-CD1 3.74Å; F86-L95 HydrophobicContact CE1-CD2 4.08Å; F86-L95 HydrophobicContact CZ-CD1 4.35Å; F86-L95 HydrophobicContact CZ-CD2 4.41Å; F86-F111 AromaticContact CD2-CE2 3.85Å; F86-F111 HydrophobicContact CD2-CE2 3.85Å; F86-F111 AromaticContact CE2-CE2 3.92Å; F86-F111 HydrophobicContact CE2-CE2 3.92Å; F86-W114 HydrophobicContact CB-CH2 3.43Å; F86-W114 VanDerWaalsContact CB-CH2 3.43Å; F86-W114 HydrophobicContact CB-CZ2 3.84Å; F86-W114 HydrophobicContact CB-CZ3 4.19Å; F86-W114 HydrophobicContact CG-CH2 4.12Å
87	L	92	Very high	95.3	Very high	96 Å²	96	48.9 Å²	48.9	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.4	-177.1	-74.3	-179.2	0	0	0	113.2	V83 N84 L89	V83-L87 HydrophobicContact CG2-CD2 3.88Å; V83-L87 HydrophobicContact CG2-CG 4.28Å; V83-L87 PolarHBondContact O-N 2.88Å; N84-L87 WeakPolarHBondContact OD1-CD1 3.46Å; L87-L89 VanDerWaalsContact C-N 3.25Å; L87-L89 PolarHBondContact O-N 3.19Å
88	S	91.4	Very high	95.3	Very high	56 Å²	56	47.1 Å²	47.1	39%	0.392	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.5	177.4	64.4	0	0	0	0	113.8	F86 Q90	F86-S88 PolarHBondContact O-N 2.87Å; S88-Q90 PolarHBondContact O-N 3.3Å
89	L	94.6	Very high	95.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.275	C	S	.	.			trans	-90.7	85.4	-174.3	-55.4	177.2	0	0	0	111.2	F62 L65 L68 I71 F86 L87 N91 L92	F62-L89 HydrophobicContact CB-CD1 3.89Å; F62-L89 HydrophobicContact CB-CD2 3.93Å; F62-L89 HydrophobicContact CB-CG 4.2Å; F62-L89 HydrophobicContact CD2-CD1 4.24Å; F62-L89 HydrophobicContact CG-CD1 4.21Å; L65-L89 HydrophobicContact CB-CD2 4.17Å; L65-L89 WeakPolarHBondContact O-CD2 3.35Å; L68-L89 HydrophobicContact CB-CD2 4.26Å; L68-L89 HydrophobicContact CD2-CD1 4.13Å; L68-L89 HydrophobicContact CD2-CD2 4.16Å; I71-L89 HydrophobicContact CD1-CD1 3.61Å; F86-L89 HydrophobicContact CD1-CD1 4.11Å; F86-L89 WeakPolarHBondContact O-CB 3.36Å; F86-L89 PolarHBondContact O-N 3.3Å; L87-L89 VanDerWaalsContact C-N 3.25Å; L87-L89 PolarHBondContact O-N 3.19Å; L89-N91 VanDerWaalsContact C-N 3.31Å; L89-N91 PolarHBondContact O-N 2.02Å; L89-L92 HydrophobicContact CB-CB 3.91Å; L89-L92 HydrophobicContact CD1-CD1 4.4Å; L89-L92 HydrophobicContact CD1-CD2 4.21Å
90	Q	91	Very high	95.2	Very high	170 Å²	170	50.5 Å²	50.5	79%	0.794	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.1	-176.4	-62.5	-178.3	7.7	0	0	113.5	S88	S88-Q90 PolarHBondContact O-N 3.3Å
91	N	94.6	Very high	95.3	Very high	73 Å²	73	47.8 Å²	47.8	39%	0.39	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9	-175.8	-68.3	-57.2	0	0	0	113.9	P66 L68 R69 L89 N93	P66-N91 PolarHBondContact O-ND2 2.94Å; L68-N91 CarbonylContact O-C 3.51Å; R69-N91 WeakPolarHBondContact CA-O 3.12Å; L89-N91 VanDerWaalsContact C-N 3.31Å; L89-N91 PolarHBondContact O-N 2.02Å; N91-N93 PolarHBondContact O-N 3.09Å; N91-N93 PolarHBondContact O-OD1 3.46Å
92	L	96	Very high	95.4	Very high	5 Å²	5	47 Å²	47	3%	0.026	25%	0.249	C	C	.	.			trans	-67.9	121.8	-179.6	-171.6	71.1	0	0	0	109.9	L68 I71 F86 L89 V94 L95 W114 L120	L68-L92 PolarHBondContact O-N 2.94Å; I71-L92 HydrophobicContact CB-CD1 4.42Å; I71-L92 HydrophobicContact CD1-CD1 3.84Å; I71-L92 HydrophobicContact CG1-CD1 3.81Å; F86-L92 HydrophobicContact CD1-CD2 4.13Å; L89-L92 HydrophobicContact CB-CB 3.91Å; L89-L92 HydrophobicContact CD1-CD1 4.4Å; L89-L92 HydrophobicContact CD1-CD2 4.21Å; L92-V94 WeakPolarHBondContact CD1-O 3.3Å; L92-L95 HydrophobicContact CD2-CB 4.34Å; L92-L95 HydrophobicContact CD2-CD2 4.35Å; L92-W114 HydrophobicContact CD2-CH2 4.12Å; L92-L120 HydrophobicContact CD2-CD1 4.16Å; L92-L120 HydrophobicContact CG-CD2 4.26Å; L92-L120 WeakPolarHBondContact O-CD2 3.24Å
93	N	94.7	Very high	95.6	Very high	103 Å²	103	47.4 Å²	47.4	55%	0.551	25%	0.247	S	C	*	.			trans	-119.7	-25.3	-179.1	-65.7	-18.8	0	0	0	112.3	R69 N91	R69-N93 PolarHBondContact O-N 3.16Å; N91-N93 PolarHBondContact O-N 3.09Å; N91-N93 PolarHBondContact O-OD1 3.46Å
94	V	96.4	Very high	95.7	Very high	63 Å²	63	47.2 Å²	47.2	38%	0.382	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.1	-178.5	179.1	0	0	0	0	109.5	R69 S70 I71 L92 L120	R69-V94 PolarHBondContact O-N 2.85Å; S70-V94 WeakPolarHBondContact CA-O 3.29Å; S70-V94 WeakPolarHBondContact OG-CB 3.32Å; S70-V94 WeakPolarHBondContact OG-CG1 3.32Å; I71-V94 PolarHBondContact N-O 3.42Å; L92-V94 WeakPolarHBondContact CD1-O 3.3Å; V94-L120 WeakPolarHBondContact CA-O 3.47Å
95	L	96.9	Very high	95.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	84.9	176.3	-178.7	57.6	0	0	0	111	I71 L73 F86 L92 L97 F111 W114 L120 S121	I71-L95 HydrophobicContact CB-CD1 3.86Å; I71-L95 HydrophobicContact CG2-CD1 4.03Å; I71-L95 CarbonylContact O-C 3.34Å; I71-L95 WeakPolarHBondContact O-CA 3.09Å; L73-L95 HydrophobicContact CD1-CD1 4.12Å; F86-L95 HydrophobicContact CD1-CD1 4.33Å; F86-L95 HydrophobicContact CD1-CD2 4.15Å; F86-L95 HydrophobicContact CE1-CD1 3.74Å; F86-L95 HydrophobicContact CE1-CD2 4.08Å; F86-L95 HydrophobicContact CZ-CD1 4.35Å; F86-L95 HydrophobicContact CZ-CD2 4.41Å; L92-L95 HydrophobicContact CD2-CB 4.34Å; L92-L95 HydrophobicContact CD2-CD2 4.35Å; L95-L97 HydrophobicContact CD1-CD2 4.24Å; L95-L97 HydrophobicContact CD2-CD1 4.13Å; L95-L97 HydrophobicContact CG-CD1 4.1Å; L95-L97 HydrophobicContact CG-CD2 4.15Å; L95-L97 HydrophobicContact CG-CG 3.98Å; L95-L97 PolarHBondContact O-N 3.19Å; L95-F111 HydrophobicContact CD2-CE2 4.45Å; L95-F111 HydrophobicContact CD2-CZ 3.81Å; L95-W114 HydrophobicContact CD2-CZ3 4.14Å; L95-L120 HydrophobicContact CB-CB 3.92Å; L95-L120 HydrophobicContact CB-CD1 4.34Å; L95-L120 HydrophobicContact CD2-CD1 4.24Å; L95-L120 PolarHBondContact N-O 2.8Å; L95-S121 WeakPolarHBondContact O-CB 3.47Å; L95-S121 PolarHBondContact O-OG 3.38Å
96	N	97.1	Very high	95.7	Very high	41 Å²	41	46 Å²	46	22%	0.219	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.7	-177.6	-167.9	2.3	0	0	0	111.5	I71 H72 L73 D74 M98	I71-N96 PolarHBondContact O-N 2.98Å; H72-N96 HydrophobicContact CB-CB 4.43Å; L73-N96 CarbonylContact C-O 3.56Å; L73-N96 WeakPolarHBondContact CA-O 3.26Å; L73-N96 WeakPolarHBondContact CB-O 3.31Å; L73-N96 PolarHBondContact N-O 2.93Å; D74-N96 VanDerWaalsContact CG-ND2 3.33Å; D74-N96 PolarHBondContact N-O 2.98Å; D74-N96 PolarHBondContact OD1-ND2 3.44Å; N96-M98 VanDerWaalsContact OD1-CG 3.25Å; N96-M98 WeakPolarHBondContact OD1-CG 3.46Å; N96-M98 PolarHBondContact OD1-N 3.09Å
97	L	97.1	Very high	95.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.			trans	-121.2	9.5	-175.7	-65.9	171.9	0	0	0	113.1	L73 I81 L95 N100 W102 F111 P124 W137	L73-L97 HydrophobicContact CB-CD2 4.23Å; L73-L97 HydrophobicContact CD1-CD2 4.18Å; I81-L97 HydrophobicContact CD1-CD1 4.36Å; I81-L97 HydrophobicContact CD1-CD2 3.73Å; L95-L97 HydrophobicContact CD1-CD2 4.24Å; L95-L97 HydrophobicContact CD2-CD1 4.13Å; L95-L97 HydrophobicContact CG-CD1 4.1Å; L95-L97 HydrophobicContact CG-CD2 4.15Å; L95-L97 HydrophobicContact CG-CG 3.98Å; L95-L97 PolarHBondContact O-N 3.19Å; L97-N100 PolarHBondContact O-ND2 3.35Å; L97-W102 HydrophobicContact CB-CZ2 3.82Å; L97-W102 HydrophobicContact CD1-CZ2 4.45Å; L97-W102 HydrophobicContact CD2-CH2 4.15Å; L97-W102 HydrophobicContact CD2-CZ2 3.83Å; L97-W102 HydrophobicContact CG-CZ2 4.23Å; L97-W102 PolarHBondContact O-NE1 3.25Å; L97-F111 HydrophobicContact CD1-CE1 3.52Å; L97-F111 HydrophobicContact CD1-CZ 3.7Å; L97-P124 HydrophobicContact CB-CG 4.19Å; L97-W137 HydrophobicContact CD1-CH2 4.14Å; L97-W137 HydrophobicContact CD1-CZ3 4.35Å
98	M	96.8	Very high	95.8	Very high	52 Å²	52	48 Å²	48	26%	0.256	25%	0.247	S	C	.	.			trans	-63.7	155.9	-175.2	-63.3	-61.3	-78.7	0	0	112.2	D74 R75 N96 N100 P124	D74-M98 CarbonylContact C-O 3.57Å; D74-M98 WeakPolarHBondContact CA-O 3.31Å; D74-M98 HydrophobicContact CB-CB 4.27Å; D74-M98 WeakPolarHBondContact CB-O 3.24Å; R75-M98 PolarHBondContact N-O 2.93Å; N96-M98 VanDerWaalsContact OD1-CG 3.25Å; N96-M98 WeakPolarHBondContact OD1-CG 3.46Å; N96-M98 PolarHBondContact OD1-N 3.09Å; M98-N100 VanDerWaalsContact C-N 3.35Å; M98-N100 PolarHBondContact O-N 3.32Å; M98-N100 PolarHBondContact O-ND2 3.05Å; M98-P124 VanDerWaalsContact SD-CA 3.58Å; M98-P124 HydrophobicContact SD-CB 3.85Å
99	E	97.1	Very high	95.9	Very high	114 Å²	114	47.4 Å²	47.4	53%	0.533	24%	0.236	S	C	.	.	S	Bend	trans	56	44.2	173.8	-56.1	-178.1	-127.6	0	0	113.8	R75	R75-E99 VanDerWaalsContact CA-O 3.26Å; R75-E99 WeakPolarHBondContact CA-O 3.41Å; R75-E99 HydrophobicContact CB-CB 4.48Å; R75-E99 HydrophobicContact CG-CB 3.71Å; R75-E99 HydrophobicContact CG-CG 4.22Å; R75-E99 VanDerWaalsContact CG-OE2 3.27Å; R75-E99 WeakPolarHBondContact CG-OE2 3.28Å; R75-E99 IonicContact CZ-OE1 3.06Å; R75-E99 IonicContact CZ-OE2 2.67Å; R75-E99 PolarHBondContact N-O 3.44Å; R75-E99 IonicContact NE-OE1 2.67Å; R75-E99 PolarHBondContact NE-OE1 3.17Å; R75-E99 IonicContact NE-OE2 3.85Å; R75-E99 PolarHBondContact NE-OE2 2.94Å; R75-E99 IonicContact NH2-OE1 2.86Å; R75-E99 PolarHBondContact NH2-OE1 3.39Å; R75-E99 IonicContact NH2-OE2 2.67Å
100	N	98	Very high	95.8	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	-113.7	179.1	169.6	-84.3	-81.1	0	0	0	110.7	L73 N76 M77 L78 L97 M98 W102	L73-N100 PolarHBondContact O-ND2 3.42Å; N76-N100 VanDerWaalsContact CA-OD1 3.3Å; N76-N100 WeakPolarHBondContact CA-OD1 3.46Å; N76-N100 WeakPolarHBondContact CB-OD1 3.5Å; N76-N100 PolarHBondContact N-OD1 3.23Å; N76-N100 PolarHBondContact O-OD1 3.11Å; M77-N100 PolarHBondContact N-OD1 3.39Å; L78-N100 HydrophobicContact CB-CB 4.24Å; L78-N100 VanDerWaalsContact CB-OD1 3.32Å; L78-N100 WeakPolarHBondContact CB-OD1 3.2Å; L78-N100 PolarHBondContact N-OD1 3.4Å; L97-N100 PolarHBondContact O-ND2 3.35Å; M98-N100 VanDerWaalsContact C-N 3.35Å; M98-N100 PolarHBondContact O-N 3.32Å; M98-N100 PolarHBondContact O-ND2 3.05Å; N100-W102 HydrophobicContact CB-CD2 4.25Å; N100-W102 HydrophobicContact CB-CG 4.47Å; N100-W102 HydrophobicContact CB-CZ2 3.86Å; N100-W102 PolarHBondContact O-N 3.49Å
101	M	97.6	Very high	96	Very high	87 Å²	87	45.1 Å²	45.1	43%	0.429	23%	0.225	S	C	.	.			trans	-99.9	45.3	-174.6	-64.1	-60.9	-67.8	0	0	113.1	L78 T79 I103 K127	L78-M101 CarbonylContact O-C 3.59Å; L78-M101 VanDerWaalsContact O-C 3.28Å; L78-M101 WeakPolarHBondContact O-CA 3.37Å; L78-M101 PolarHBondContact O-N 3.43Å; T79-M101 WeakPolarHBondContact CA-O 3.34Å; T79-M101 HydrophobicContact CG2-CB 3.97Å; M101-I103 PolarHBondContact O-N 3.35Å; M101-K127 HydrophobicContact CE-CB 4.32Å; M101-K127 HydrophobicContact CE-CG 4.21Å; M101-K127 HydrophobicContact SD-CD 4.46Å; M101-K127 HydrophobicContact SD-CG 3.95Å
102	W	97.7	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.			trans	-57.1	124.3	-169.6	-62.3	118.2	0	0	0	114	L78 I81 L97 N100 L108 K127 I128 W137	L78-W102 HydrophobicContact CB-CH2 3.63Å; L78-W102 HydrophobicContact CB-CZ2 4.15Å; L78-W102 HydrophobicContact CB-CZ3 3.92Å; L78-W102 HydrophobicContact CD1-CH2 3.99Å; L78-W102 HydrophobicContact CD1-CZ2 4.42Å; L78-W102 HydrophobicContact CG-CH2 4.42Å; I81-W102 HydrophobicContact CB-CH2 3.81Å; I81-W102 HydrophobicContact CB-CZ3 3.62Å; I81-W102 HydrophobicContact CD1-CH2 3.97Å; I81-W102 HydrophobicContact CG2-CE3 4.33Å; I81-W102 HydrophobicContact CG2-CH2 3.82Å; I81-W102 HydrophobicContact CG2-CZ3 3.49Å; I81-W102 VanDerWaalsContact CG2-CZ3 3.49Å; L97-W102 HydrophobicContact CB-CZ2 3.82Å; L97-W102 HydrophobicContact CD1-CZ2 4.45Å; L97-W102 HydrophobicContact CD2-CH2 4.15Å; L97-W102 HydrophobicContact CD2-CZ2 3.83Å; L97-W102 HydrophobicContact CG-CZ2 4.23Å; L97-W102 PolarHBondContact O-NE1 3.25Å; N100-W102 HydrophobicContact CB-CD2 4.25Å; N100-W102 HydrophobicContact CB-CG 4.47Å; N100-W102 HydrophobicContact CB-CZ2 3.86Å; N100-W102 PolarHBondContact O-N 3.49Å; W102-L108 HydrophobicContact CE3-CD1 4.41Å; W102-K127 PolarHBondContact O-N 3.47Å; W102-I128 PolarHBondContact O-N 2.94Å; W102-W137 HydrophobicContact CB-CZ2 4.24Å; W102-W137 AromaticContact CD1-CZ2 3.82Å; W102-W137 HydrophobicContact CD2-CH2 4.35Å; W102-W137 AromaticContact CD2-CZ2 3.67Å; W102-W137 HydrophobicContact CD2-CZ2 3.67Å; W102-W137 AromaticContact CE2-CZ2 3.92Å; W102-W137 HydrophobicContact CE3-CZ2 4.21Å; W102-W137 AromaticContact CG-CZ2 3.65Å; W102-W137 HydrophobicContact CG-CZ2 3.65Å; W102-W137 AromaticContact NE1-CZ2 3.94Å
103	I	97.5	Very high	95.8	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.267	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-87.9	105	167.3	-57.3	174.6	0	0	0	107.4	T79 M101 D105 I128	T79-I103 HydrophobicContact CG2-CD1 4.46Å; T79-I103 PolarHBondContact O-N 3.16Å; M101-I103 PolarHBondContact O-N 3.35Å; I103-D105 VanDerWaalsContact C-N 3.27Å; I103-D105 HydrophobicContact CG2-CB 4.08Å; I103-D105 PolarHBondContact O-N 3.08Å; I103-D105 VanDerWaalsContact O-N 3.11Å; I103-I128 CarbonylContact C-O 3.55Å; I103-I128 WeakPolarHBondContact CA-O 3.4Å; I103-I128 HydrophobicContact CB-CB 4.47Å; I103-I128 HydrophobicContact CG1-CB 4.09Å; I103-I128 HydrophobicContact CG1-CD1 4.14Å; I103-I128 HydrophobicContact CG1-CG2 4.38Å; I103-I128 HydrophobicContact CG2-CB 4.42Å; I103-I128 HydrophobicContact CG2-CG2 4.16Å
104	C	97.1	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	21%	0.211	C	C	.	.			trans	-86.4	63.8	-180	-67.1	0	0	0	0	111.4	L108 C126 I128 F145	C104-L108 HydrophobicContact CB-CD2 4.49Å; C104-C126 HydrophobicContact CB-CB 3.79Å; C104-C126 WeakPolarHBondContact CB-SG 3.31Å; C104-C126 WeakPolarHBondContact SG-CA 3.39Å; C104-C126 WeakPolarHBondContact SG-CB 3.38Å; C104-C126 CovalentContact SG-SG 2.02Å; C104-C126 PolarHBondContact SG-SG 2.77Å; C104-I128 PolarHBondContact N-O 2.67Å; C104-F145 HydrophobicContact CB-CD1 3.87Å; C104-F145 HydrophobicContact CB-CE1 3.66Å
105	D	95.8	Very high	95.5	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	19%	0.193	C	C	.	.	S	Bend	trans	-104.9	-169.1	173.5	72.1	7.7	0	0	0	111.3	I103 H107 L108 F145	I103-D105 VanDerWaalsContact C-N 3.27Å; I103-D105 HydrophobicContact CG2-CB 4.08Å; I103-D105 PolarHBondContact O-N 3.08Å; I103-D105 VanDerWaalsContact O-N 3.11Å; D105-H107 VanDerWaalsContact C-N 3.25Å; D105-H107 VanDerWaalsContact CG-ND1 3.27Å; D105-H107 PolarHBondContact O-N 3.21Å; D105-H107 WeakPolarHBondContact OD1-CB 3.33Å; D105-H107 IonicContact OD1-CG 3.6Å; D105-H107 PolarHBondContact OD1-N 3.01Å; D105-H107 IonicContact OD1-ND1 3.32Å; D105-H107 PolarHBondContact OD1-ND1 3.3Å; D105-H107 IonicContact OD2-CE1 3.24Å; D105-H107 IonicContact OD2-CG 3.84Å; D105-H107 IonicContact OD2-ND1 2.8Å; D105-H107 PolarHBondContact OD2-ND1 3.05Å; D105-L108 PolarHBondContact O-N 3.46Å; D105-F145 WeakPolarHBondContact O-CB 3.37Å
106	C	95.2	Very high	95.1	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.061	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62.1	-28	-179.8	68.1	0	0	0	0	114.5	L108 R109 F145 C147 D176	C106-L108 VanDerWaalsContact C-N 3.29Å; C106-L108 PolarHBondContact O-N 3.18Å; C106-R109 VanDerWaalsContact O-CB 3.23Å; C106-R109 WeakPolarHBondContact O-CB 3.44Å; C106-R109 PolarHBondContact O-N 3.19Å; C106-F145 WeakPolarHBondContact CA-O 3.37Å; C106-C147 HydrophobicContact CB-CB 3.82Å; C106-C147 WeakPolarHBondContact CB-SG 3.36Å; C106-C147 PolarHBondContact N-SG 3.46Å; C106-C147 WeakPolarHBondContact SG-CB 3.05Å; C106-C147 CovalentContact SG-SG 2.03Å; C106-C147 PolarHBondContact SG-SG 2.69Å; C106-D176 HydrophobicContact CB-CB 4Å; C106-D176 WeakPolarHBondContact CB-OD2 3.43Å
107	H	93.7	Very high	94.7	Very high	135 Å²	135	44.6 Å²	44.6	63%	0.625	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-73	-25.1	-175.4	-51.2	102.7	0	0	0	112.1	D105 R109 C147	D105-H107 VanDerWaalsContact C-N 3.25Å; D105-H107 VanDerWaalsContact CG-ND1 3.27Å; D105-H107 PolarHBondContact O-N 3.21Å; D105-H107 WeakPolarHBondContact OD1-CB 3.33Å; D105-H107 IonicContact OD1-CG 3.6Å; D105-H107 PolarHBondContact OD1-N 3.01Å; D105-H107 IonicContact OD1-ND1 3.32Å; D105-H107 PolarHBondContact OD1-ND1 3.3Å; D105-H107 IonicContact OD2-CE1 3.24Å; D105-H107 IonicContact OD2-CG 3.84Å; D105-H107 IonicContact OD2-ND1 2.8Å; D105-H107 PolarHBondContact OD2-ND1 3.05Å; H107-R109 VanDerWaalsContact C-N 3.3Å; H107-C147 VanDerWaalsContact CE1-SG 3.56Å
108	L	95.5	Very high	94.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-78.5	-17.9	177.5	-170.5	60.9	0	0	0	112.7	I81 W102 C104 D105 C106 E110 F111 I112 W137 F145	I81-L108 HydrophobicContact CG2-CD1 3.63Å; W102-L108 HydrophobicContact CE3-CD1 4.41Å; C104-L108 HydrophobicContact CB-CD2 4.49Å; D105-L108 PolarHBondContact O-N 3.46Å; C106-L108 VanDerWaalsContact C-N 3.29Å; C106-L108 PolarHBondContact O-N 3.18Å; L108-E110 PolarHBondContact O-N 3.03Å; L108-F111 HydrophobicContact CD1-CB 4.38Å; L108-F111 HydrophobicContact CD1-CD1 4.35Å; L108-F111 WeakPolarHBondContact O-CB 3.15Å; L108-F111 PolarHBondContact O-N 3.07Å; L108-I112 HydrophobicContact CD2-CD1 3.94Å; L108-I112 HydrophobicContact CG-CD1 3.79Å; L108-I112 HydrophobicContact CG-CG1 4.03Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.27Å; L108-W137 HydrophobicContact CD1-CH2 4.21Å; L108-W137 HydrophobicContact CD1-CZ2 4.1Å; L108-W137 HydrophobicContact CD2-CZ2 3.69Å; L108-W137 HydrophobicContact CG-CZ2 4.31Å; L108-F145 HydrophobicContact CD2-CE1 4.4Å
109	R	93.6	Very high	93.9	Very high	43 Å²	43	55.7 Å²	55.7	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-42.9	-168.8	-166.8	174	51.6	-134.1	-16.1	113.5	C106 H107 F111 I112 I113 I142 F145 D176	C106-R109 VanDerWaalsContact O-CB 3.23Å; C106-R109 WeakPolarHBondContact O-CB 3.44Å; C106-R109 PolarHBondContact O-N 3.19Å; H107-R109 VanDerWaalsContact C-N 3.3Å; R109-F111 VanDerWaalsContact C-N 3.32Å; R109-F111 PolarHBondContact O-N 3.4Å; R109-I112 PolarHBondContact O-N 3.43Å; R109-I113 HydrophobicContact CG-CD1 4.35Å; R109-I113 WeakPolarHBondContact O-CG1 3.42Å; R109-I113 PolarHBondContact O-N 2.75Å; R109-I113 VanDerWaalsContact O-N 3.08Å; R109-I142 WeakPolarHBondContact CD-O 3.37Å; R109-I142 HydrophobicContact CG-CD1 3.51Å; R109-I142 HydrophobicContact CG-CG1 3.58Å; R109-F145 HydrophobicContact CB-CB 3.97Å; R109-F145 HydrophobicContact CG-CB 4.08Å; R109-F145 PolarHBondContact NH1-O 3.46Å; R109-D176 IonicContact CZ-OD1 2.89Å; R109-D176 IonicContact CZ-OD2 3.32Å; R109-D176 IonicContact NH1-OD1 2.89Å; R109-D176 PolarHBondContact NH1-OD1 3.16Å; R109-D176 IonicContact NH1-OD2 2.97Å; R109-D176 IonicContact NH2-OD1 3.61Å; R109-D176 PolarHBondContact NH2-OD1 2.9Å; R109-D176 IonicContact NH2-OD2 3.5Å; R109-D176 PolarHBondContact NH2-OD2 3.07Å
110	E	92.2	Very high	93.5	Very high	122 Å²	122	50.6 Å²	50.6	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-61.1	-43.5	177.3	-174.8	-174.3	-170.6	0	0	111.3	V83 L108 I112 I113 W114	V83-E110 HydrophobicContact CG1-CG 4.14Å; L108-E110 PolarHBondContact O-N 3.03Å; E110-I112 VanDerWaalsContact C-N 3.34Å; E110-I112 PolarHBondContact O-N 3.22Å; E110-I113 PolarHBondContact O-N 3.11Å; E110-W114 PolarHBondContact O-N 3.29Å; E110-W114 VanDerWaalsContact O-N 3.11Å
111	F	95	Very high	92.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-42.3	178.1	-177.2	-91.8	0	0	0	111.8	I81 V83 F86 L95 L97 L108 R109 W114 Q115 W137	I81-F111 HydrophobicContact CB-CD2 4.46Å; I81-F111 HydrophobicContact CB-CE2 4.47Å; I81-F111 HydrophobicContact CD1-CE1 4.25Å; I81-F111 HydrophobicContact CD1-CE2 3.75Å; I81-F111 HydrophobicContact CD1-CZ 3.58Å; I81-F111 HydrophobicContact CG1-CD2 4.03Å; I81-F111 HydrophobicContact CG1-CE2 3.67Å; I81-F111 HydrophobicContact CG1-CZ 3.98Å; I81-F111 HydrophobicContact CG2-CB 4.24Å; I81-F111 HydrophobicContact CG2-CD1 3.52Å; I81-F111 HydrophobicContact CG2-CD2 3.84Å; I81-F111 HydrophobicContact CG2-CE1 3.75Å; I81-F111 HydrophobicContact CG2-CE2 4.05Å; I81-F111 HydrophobicContact CG2-CG 3.57Å; I81-F111 HydrophobicContact CG2-CZ 4Å; V83-F111 HydrophobicContact CB-CD2 4.35Å; F86-F111 AromaticContact CD2-CE2 3.85Å; F86-F111 HydrophobicContact CD2-CE2 3.85Å; F86-F111 AromaticContact CE2-CE2 3.92Å; F86-F111 HydrophobicContact CE2-CE2 3.92Å; L95-F111 HydrophobicContact CD2-CE2 4.45Å; L95-F111 HydrophobicContact CD2-CZ 3.81Å; L97-F111 HydrophobicContact CD1-CE1 3.52Å; L97-F111 HydrophobicContact CD1-CZ 3.7Å; L108-F111 HydrophobicContact CD1-CB 4.38Å; L108-F111 HydrophobicContact CD1-CD1 4.35Å; L108-F111 WeakPolarHBondContact O-CB 3.15Å; L108-F111 PolarHBondContact O-N 3.07Å; R109-F111 VanDerWaalsContact C-N 3.32Å; R109-F111 PolarHBondContact O-N 3.4Å; F111-W114 HydrophobicContact CD2-CE3 4.38Å; F111-W114 HydrophobicContact CE2-CE3 4.08Å; F111-W114 AromaticContact CE2-CZ3 3.91Å; F111-W114 HydrophobicContact CE2-CZ3 3.91Å; F111-W114 HydrophobicContact CZ-CE3 4.47Å; F111-W114 HydrophobicContact CZ-CZ3 4.18Å; F111-W114 PolarHBondContact O-N 2.89Å; F111-Q115 HydrophobicContact CD1-CB 4.36Å; F111-Q115 HydrophobicContact CE1-CB 4.06Å; F111-Q115 HydrophobicContact CE1-CG 4.26Å; F111-Q115 VanDerWaalsContact O-CB 3.24Å; F111-Q115 WeakPolarHBondContact O-CB 3.46Å; F111-Q115 PolarHBondContact O-N 3.23Å; F111-W137 HydrophobicContact CD1-CH2 4.09Å; F111-W137 HydrophobicContact CD1-CZ3 4.06Å; F111-W137 HydrophobicContact CE1-CH2 4Å; F111-W137 AromaticContact CE1-CZ3 3.96Å; F111-W137 HydrophobicContact CE1-CZ3 3.96Å
112	I	93.9	Very high	92.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-45.5	178.1	-69.9	172.7	0	0	0	111.1	L108 R109 E110 W114 Q115 Q116 W137 I142 F145	L108-I112 HydrophobicContact CD2-CD1 3.94Å; L108-I112 HydrophobicContact CG-CD1 3.79Å; L108-I112 HydrophobicContact CG-CG1 4.03Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.27Å; R109-I112 PolarHBondContact O-N 3.43Å; E110-I112 VanDerWaalsContact C-N 3.34Å; E110-I112 PolarHBondContact O-N 3.22Å; I112-W114 VanDerWaalsContact C-N 3.3Å; I112-W114 PolarHBondContact O-N 2.94Å; I112-Q115 PolarHBondContact O-N 3.07Å; I112-Q116 HydrophobicContact CG2-CG 4.12Å; I112-Q116 WeakPolarHBondContact O-CB 3.39Å; I112-Q116 WeakPolarHBondContact O-CG 3.38Å; I112-Q116 PolarHBondContact O-N 3.13Å; I112-W137 HydrophobicContact CD1-CB 4.2Å; I112-W137 HydrophobicContact CD1-CD2 3.89Å; I112-W137 HydrophobicContact CD1-CE3 4.13Å; I112-W137 HydrophobicContact CD1-CG 3.97Å; I112-W137 HydrophobicContact CG1-CD2 3.93Å; I112-W137 HydrophobicContact CG1-CE3 3.62Å; I112-W137 HydrophobicContact CG1-CG 4.43Å; I112-W137 HydrophobicContact CG1-CZ3 4.01Å; I112-I142 HydrophobicContact CB-CD1 4.47Å; I112-I142 HydrophobicContact CG2-CD1 4.1Å; I112-F145 HydrophobicContact CD1-CD1 3.6Å; I112-F145 HydrophobicContact CD1-CD2 4.28Å; I112-F145 HydrophobicContact CD1-CE1 3.13Å; I112-F145 HydrophobicContact CD1-CE2 3.89Å; I112-F145 HydrophobicContact CD1-CG 4.15Å; I112-F145 HydrophobicContact CD1-CZ 3.3Å
113	I	93	Very high	92.3	Very high	100 Å²	100	54.7 Å²	54.7	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-57.6	-46.6	177.9	-67.4	165.1	0	0	0	110.3	R109 E110 G117 I142	R109-I113 HydrophobicContact CG-CD1 4.35Å; R109-I113 WeakPolarHBondContact O-CG1 3.42Å; R109-I113 PolarHBondContact O-N 2.75Å; R109-I113 VanDerWaalsContact O-N 3.08Å; E110-I113 PolarHBondContact O-N 3.11Å; I113-G117 PolarHBondContact O-N 3.18Å; I113-I142 HydrophobicContact CD1-CD1 4.29Å; I113-I142 HydrophobicContact CD1-CG1 4.13Å; I113-I142 HydrophobicContact CG1-CD1 3.79Å; I113-I142 HydrophobicContact CG1-CG1 4.06Å
114	W	93.3	Very high	92.3	Very high	40 Å²	40	52.2 Å²	52.2	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-44.6	177.8	174.5	91.1	0	0	0	112.9	V83 F86 L92 L95 E110 F111 I112 G117 K118 L120	V83-W114 HydrophobicContact CG2-CB 3.66Å; V83-W114 HydrophobicContact CG2-CD2 3.57Å; V83-W114 HydrophobicContact CG2-CE3 4.15Å; V83-W114 HydrophobicContact CG2-CG 3.32Å; F86-W114 HydrophobicContact CB-CH2 3.43Å; F86-W114 VanDerWaalsContact CB-CH2 3.43Å; F86-W114 HydrophobicContact CB-CZ2 3.84Å; F86-W114 HydrophobicContact CB-CZ3 4.19Å; F86-W114 HydrophobicContact CG-CH2 4.12Å; L92-W114 HydrophobicContact CD2-CH2 4.12Å; L95-W114 HydrophobicContact CD2-CZ3 4.14Å; E110-W114 PolarHBondContact O-N 3.29Å; E110-W114 VanDerWaalsContact O-N 3.11Å; F111-W114 HydrophobicContact CD2-CE3 4.38Å; F111-W114 HydrophobicContact CE2-CE3 4.08Å; F111-W114 AromaticContact CE2-CZ3 3.91Å; F111-W114 HydrophobicContact CE2-CZ3 3.91Å; F111-W114 HydrophobicContact CZ-CE3 4.47Å; F111-W114 HydrophobicContact CZ-CZ3 4.18Å; F111-W114 PolarHBondContact O-N 2.89Å; I112-W114 VanDerWaalsContact C-N 3.3Å; I112-W114 PolarHBondContact O-N 2.94Å; W114-G117 PolarHBondContact O-N 3.02Å; W114-K118 HydrophobicContact CZ2-CD 3.88Å; W114-K118 PolarHBondContact O-N 2.84Å; W114-L120 HydrophobicContact CE3-CD1 4.03Å; W114-L120 HydrophobicContact CH2-CD1 3.27Å; W114-L120 HydrophobicContact CZ2-CD1 4.08Å; W114-L120 HydrophobicContact CZ3-CD1 3.25Å
115	Q	92.1	Very high	92.3	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-45.1	-177.7	-177.3	-80.6	-25	0	0	111.3	F111 I112 K118 Y119 L120 S121	F111-Q115 HydrophobicContact CD1-CB 4.36Å; F111-Q115 HydrophobicContact CE1-CB 4.06Å; F111-Q115 HydrophobicContact CE1-CG 4.26Å; F111-Q115 VanDerWaalsContact O-CB 3.24Å; F111-Q115 WeakPolarHBondContact O-CB 3.46Å; F111-Q115 PolarHBondContact O-N 3.23Å; I112-Q115 PolarHBondContact O-N 3.07Å; Q115-K118 PolarHBondContact O-N 3.42Å; Q115-Y119 PolarHBondContact O-N 3.26Å; Q115-L120 HydrophobicContact CG-CB 4.46Å; Q115-L120 PolarHBondContact O-N 2.98Å; Q115-S121 PolarHBondContact NE2-O 3.2Å; Q115-S121 PolarHBondContact NE2-OG 3.01Å
116	Q	87.7	Confident	92.4	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-67.4	-38.7	178.2	-71.5	-179	-8.1	0	0	111.5	I112 K118 Y119	I112-Q116 HydrophobicContact CG2-CG 4.12Å; I112-Q116 WeakPolarHBondContact O-CB 3.39Å; I112-Q116 WeakPolarHBondContact O-CG 3.38Å; I112-Q116 PolarHBondContact O-N 3.13Å; Q116-K118 PolarHBondContact O-N 3.35Å; Q116-Y119 PolarHBondContact O-N 2.86Å
117	G	90	Very high	92.5	Very high	60 Å²	60	57.3 Å²	57.3	62%	0.619	28%	0.279	S	S	*	.	H	α-helix	trans	-62	-25.8	176.2	0	0	0	0	0	113.9	I113 W114	I113-G117 PolarHBondContact O-N 3.18Å; W114-G117 PolarHBondContact O-N 3.02Å
118	K	89.9	Confident	92.6	Very high	83 Å²	83	54.9 Å²	54.9	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-100.6	-9.1	177.4	-73.7	-167.2	174.6	-166	0	114.6	W114 Q115 Q116 L120	W114-K118 HydrophobicContact CZ2-CD 3.88Å; W114-K118 PolarHBondContact O-N 2.84Å; Q115-K118 PolarHBondContact O-N 3.42Å; Q116-K118 PolarHBondContact O-N 3.35Å; K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 HydrophobicContact CB-CD1 4.09Å; K118-L120 HydrophobicContact CB-CD2 3.87Å; K118-L120 HydrophobicContact CB-CG 3.58Å; K118-L120 HydrophobicContact CD-CD1 4.17Å; K118-L120 HydrophobicContact CD-CD2 4.23Å; K118-L120 HydrophobicContact CD-CG 4.36Å; K118-L120 PolarHBondContact O-N 3.11Å
119	Y	86.2	Confident	92.6	Very high	202 Å²	202	57.1 Å²	57.1	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.5	-175.6	-57.3	-87.9	0	0	0	113.9	Q115 Q116 S121	Q115-Y119 PolarHBondContact O-N 3.26Å; Q116-Y119 PolarHBondContact O-N 2.86Å; Y119-S121 VanDerWaalsContact C-N 3.32Å; Y119-S121 PolarHBondContact O-N 2.74Å
120	L	88.1	Confident	92.7	Very high	6 Å²	6	60 Å²	60	3%	0.031	31%	0.312	C	S	.	.			trans	-70.9	-23.8	-170.4	-63.9	172.3	0	0	0	114.6	L92 V94 L95 W114 Q115 K118	L92-L120 HydrophobicContact CD2-CD1 4.16Å; L92-L120 HydrophobicContact CG-CD2 4.26Å; L92-L120 WeakPolarHBondContact O-CD2 3.24Å; V94-L120 WeakPolarHBondContact CA-O 3.47Å; L95-L120 HydrophobicContact CB-CB 3.92Å; L95-L120 HydrophobicContact CB-CD1 4.34Å; L95-L120 HydrophobicContact CD2-CD1 4.24Å; L95-L120 PolarHBondContact N-O 2.8Å; W114-L120 HydrophobicContact CE3-CD1 4.03Å; W114-L120 HydrophobicContact CH2-CD1 3.27Å; W114-L120 HydrophobicContact CZ2-CD1 4.08Å; W114-L120 HydrophobicContact CZ3-CD1 3.25Å; Q115-L120 HydrophobicContact CG-CB 4.46Å; Q115-L120 PolarHBondContact O-N 2.98Å; K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 HydrophobicContact CB-CD1 4.09Å; K118-L120 HydrophobicContact CB-CD2 3.87Å; K118-L120 HydrophobicContact CB-CG 3.58Å; K118-L120 HydrophobicContact CD-CD1 4.17Å; K118-L120 HydrophobicContact CD-CD2 4.23Å; K118-L120 HydrophobicContact CD-CG 4.36Å; K118-L120 PolarHBondContact O-N 3.11Å
121	S	86	Confident	92.8	Very high	26 Å²	26	61 Å²	61	18%	0.182	31%	0.314	C	S	.	.	S	Bend	trans	-164.9	163.5	-174.5	44.3	0	0	0	0	113.3	L95 Q115 Y119	L95-S121 WeakPolarHBondContact O-CB 3.47Å; L95-S121 PolarHBondContact O-OG 3.38Å; Q115-S121 PolarHBondContact NE2-O 3.2Å; Q115-S121 PolarHBondContact NE2-OG 3.01Å; Y119-S121 VanDerWaalsContact C-N 3.32Å; Y119-S121 PolarHBondContact O-N 2.74Å
122	E	90.9	Very high	92.8	Very high	133 Å²	133	61.1 Å²	61.1	62%	0.621	32%	0.315	S	S	*	.			trans	-61.5	132.2	165.1	-65.5	-170.9	-178.2	0	0	110.2	P124	E122-P124 WeakPolarHBondContact O-CD 3.47Å
123	P	92.6	Very high	92.9	Very high	19 Å²	19	66.8 Å²	66.8	12%	0.123	34%	0.341	C	S	.	.			trans	-60.5	122.4	178	-27.4	36.3	0	0	0	112.6	W137 D138	P123-W137 HydrophobicContact CB-CB 4.1Å; P123-D138 HydrophobicContact CB-CB 4.13Å; P123-D138 HydrophobicContact CG-CB 3.82Å
124	P	96	Very high	93.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.339	C	S	.	.			trans	-76.4	174.5	178.8	33.9	-37.8	0	0	0	112.6	L97 M98 E122 R136 W137	L97-P124 HydrophobicContact CB-CG 4.19Å; M98-P124 VanDerWaalsContact SD-CA 3.58Å; M98-P124 HydrophobicContact SD-CB 3.85Å; E122-P124 WeakPolarHBondContact O-CD 3.47Å; P124-R136 WeakPolarHBondContact O-CA 3.31Å; P124-W137 VanDerWaalsContact CD-CE3 3.49Å; P124-W137 HydrophobicContact CG-CD2 3.7Å; P124-W137 HydrophobicContact CG-CE3 3.9Å; P124-W137 HydrophobicContact CG-CG 4.45Å; P124-W137 HydrophobicContact CG-CH2 3.58Å; P124-W137 HydrophobicContact CG-CZ2 3.35Å; P124-W137 HydrophobicContact CG-CZ3 3.84Å; P124-W137 VanDerWaalsContact O-CD1 3.26Å; P124-W137 PolarHBondContact O-N 2.92Å; P124-W137 VanDerWaalsContact O-N 3.07Å
125	L	97	Very high	93.3	Very high	74 Å²	74	66.3 Å²	66.3	39%	0.387	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-87.6	142	-179.7	-57	175.5	0	0	0	111.7	R135 R136	L125-R135 CarbonylContact C-O 3.32Å; L125-R135 WeakPolarHBondContact CA-O 3.37Å; L125-R136 HydrophobicContact CD2-CB 4.23Å; L125-R136 HydrophobicContact CD2-CG 3.31Å
126	C	97.8	Very high	93.4	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.			trans	-73.2	139.9	167.2	-64.3	0	0	0	0	110.8	C104 H132 G134 R135 L140	C104-C126 HydrophobicContact CB-CB 3.79Å; C104-C126 WeakPolarHBondContact CB-SG 3.31Å; C104-C126 WeakPolarHBondContact SG-CA 3.39Å; C104-C126 WeakPolarHBondContact SG-CB 3.38Å; C104-C126 CovalentContact SG-SG 2.02Å; C104-C126 PolarHBondContact SG-SG 2.77Å; C126-H132 HydrophobicContact CB-CB 4.07Å; C126-H132 VanDerWaalsContact CB-O 3.26Å; C126-H132 WeakPolarHBondContact CB-O 3.34Å; C126-G134 PolarHBondContact O-N 3.05Å; C126-R135 PolarHBondContact N-O 2.9Å; C126-L140 VanDerWaalsContact SG-CD1 3.52Å
127	K	97.6	Very high	93.8	Very high	80 Å²	80	66.8 Å²	66.8	35%	0.348	35%	0.346	S	S	.	.			trans	-107.5	-34.7	170.2	-70.7	-58.8	-166.8	173.9	0	112.4	M101 W102	M101-K127 HydrophobicContact CE-CB 4.32Å; M101-K127 HydrophobicContact CE-CG 4.21Å; M101-K127 HydrophobicContact SD-CD 4.46Å; M101-K127 HydrophobicContact SD-CG 3.95Å; W102-K127 PolarHBondContact O-N 3.47Å
128	I	95.9	Very high	93.9	Very high	84 Å²	84	67.6 Å²	67.6	43%	0.431	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-133.7	144.1	-178.5	-60.7	173.5	0	0	0	106.8	W102 I103 C104	W102-I128 PolarHBondContact O-N 2.94Å; I103-I128 CarbonylContact C-O 3.55Å; I103-I128 WeakPolarHBondContact CA-O 3.4Å; I103-I128 HydrophobicContact CB-CB 4.47Å; I103-I128 HydrophobicContact CG1-CB 4.09Å; I103-I128 HydrophobicContact CG1-CD1 4.14Å; I103-I128 HydrophobicContact CG1-CG2 4.38Å; I103-I128 HydrophobicContact CG2-CB 4.42Å; I103-I128 HydrophobicContact CG2-CG2 4.16Å; C104-I128 PolarHBondContact N-O 2.67Å
129	P	95.8	Very high	94.2	Very high	52 Å²	52	68.7 Å²	68.7	34%	0.338	34%	0.342	S	S	.	.	S	Bend	cis	-73.7	166.7	-4.9	32.5	-36.4	0	0	0	112.7	K131 H132 E133	P129-K131 PolarHBondContact O-N 2.67Å; P129-K131 VanDerWaalsContact O-N 3.07Å; P129-H132 HydrophobicContact CG-CB 4.49Å; P129-H132 PolarHBondContact O-N 3.17Å; P129-E133 PolarHBondContact O-N 3.29Å
130	S	95.5	Very high	94.6	Very high	104 Å²	104	59.8 Å²	59.8	73%	0.727	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-53.2	-31.6	178.8	-51.2	0	0	0	0	113.4	H132 E133	S130-H132 PolarHBondContact O-N 3.29Å; S130-E133 PolarHBondContact O-N 3.14Å
131	K	94	Very high	94.9	Very high	142 Å²	142	66.4 Å²	66.4	62%	0.617	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-58	-29.7	174.7	-177.6	179	174	-177	0	113.5	P129 P244	P129-K131 PolarHBondContact O-N 2.67Å; P129-K131 VanDerWaalsContact O-N 3.07Å; K131-P244 PolarHBondContact NZ-O 3.38Å
132	H	95.5	Very high	95.3	Very high	5 Å²	5	67.8 Å²	67.8	2%	0.023	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-111.1	-0	-175.9	-62.8	-32.9	0	0	0	112.7	C126 P129 S130 G134 R135 L140 E144	C126-H132 HydrophobicContact CB-CB 4.07Å; C126-H132 VanDerWaalsContact CB-O 3.26Å; C126-H132 WeakPolarHBondContact CB-O 3.34Å; P129-H132 HydrophobicContact CG-CB 4.49Å; P129-H132 PolarHBondContact O-N 3.17Å; S130-H132 PolarHBondContact O-N 3.29Å; H132-G134 PolarHBondContact O-N 3.02Å; H132-R135 WeakPolarHBondContact O-CB 3.43Å; H132-R135 PolarHBondContact O-N 3.27Å; H132-L140 HydrophobicContact CB-CD1 4.21Å; H132-L140 WeakPolarHBondContact ND1-CD2 3.37Å; H132-E144 IonicContact CE1-OE2 2.69Å; H132-E144 PolarHBondContact NE2-O 3.18Å
133	E	96.5	Very high	95.4	Very high	118 Å²	118	66.2 Å²	66.2	55%	0.551	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129.2	-175.3	-174.3	173.1	-173.2	0	0	111.5	P129 S130 R135	P129-E133 PolarHBondContact O-N 3.29Å; S130-E133 PolarHBondContact O-N 3.14Å; E133-R135 VanDerWaalsContact C-N 3.25Å; E133-R135 PolarHBondContact O-N 3.3Å
134	G	96.9	Very high	95.6	Very high	46 Å²	46	67.3 Å²	67.3	47%	0.474	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-2.4	-179.6	0	0	0	0	0	115.2	C126 H132	C126-G134 PolarHBondContact O-N 3.05Å; H132-G134 PolarHBondContact O-N 3.02Å
135	R	97	Very high	95.6	Very high	84 Å²	84	67.4 Å²	67.4	32%	0.317	34%	0.338	S	S	.	.			trans	-84.2	143.2	172	-61.3	-172.6	66.7	-170.9	-0.9	110.9	L125 C126 H132 E133 Q139 L140 E144	L125-R135 CarbonylContact C-O 3.32Å; L125-R135 WeakPolarHBondContact CA-O 3.37Å; C126-R135 PolarHBondContact N-O 2.9Å; H132-R135 WeakPolarHBondContact O-CB 3.43Å; H132-R135 PolarHBondContact O-N 3.27Å; E133-R135 VanDerWaalsContact C-N 3.25Å; E133-R135 PolarHBondContact O-N 3.3Å; R135-Q139 PolarHBondContact NH2-O 2.99Å; R135-L140 HydrophobicContact CB-CD2 4.49Å; R135-L140 HydrophobicContact CB-CG 4.42Å; R135-E144 IonicContact NH1-OE2 3.73Å; R135-E144 PolarHBondContact NH1-OE2 3.41Å
136	R	95.5	Very high	95.5	Very high	85 Å²	85	64.3 Å²	64.3	32%	0.321	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-77.9	152.7	172	-67.9	169.9	43.6	152.5	-2.1	111.1	P124 L125 D138 Q139	P124-R136 WeakPolarHBondContact O-CA 3.31Å; L125-R136 HydrophobicContact CD2-CB 4.23Å; L125-R136 HydrophobicContact CD2-CG 3.31Å; R136-D138 WeakPolarHBondContact CB-OD1 3.45Å; R136-D138 IonicContact CZ-OD1 3.61Å; R136-D138 IonicContact CZ-OD2 3.11Å; R136-D138 IonicContact NE-OD1 2.85Å; R136-D138 PolarHBondContact NE-OD1 2.86Å; R136-D138 IonicContact NE-OD2 3.41Å; R136-D138 IonicContact NH2-OD1 3.48Å; R136-D138 PolarHBondContact NH2-OD1 3.33Å; R136-D138 IonicContact NH2-OD2 2.7Å; R136-D138 PolarHBondContact NH2-OD2 3.4Å; R136-D138 PolarHBondContact O-N 2.81Å; R136-Q139 HydrophobicContact CB-CG 4.07Å; R136-Q139 WeakPolarHBondContact O-CB 3.31Å; R136-Q139 PolarHBondContact O-N 2.99Å
137	W	95.2	Very high	95.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-58.2	-35.4	-179.6	-60.5	-10.7	0	0	0	113.6	L97 W102 L108 F111 I112 P123 P124 Q139 L140 F145	L97-W137 HydrophobicContact CD1-CH2 4.14Å; L97-W137 HydrophobicContact CD1-CZ3 4.35Å; W102-W137 HydrophobicContact CB-CZ2 4.24Å; W102-W137 AromaticContact CD1-CZ2 3.82Å; W102-W137 HydrophobicContact CD2-CH2 4.35Å; W102-W137 AromaticContact CD2-CZ2 3.67Å; W102-W137 HydrophobicContact CD2-CZ2 3.67Å; W102-W137 AromaticContact CE2-CZ2 3.92Å; W102-W137 HydrophobicContact CE3-CZ2 4.21Å; W102-W137 AromaticContact CG-CZ2 3.65Å; W102-W137 HydrophobicContact CG-CZ2 3.65Å; W102-W137 AromaticContact NE1-CZ2 3.94Å; L108-W137 HydrophobicContact CD1-CH2 4.21Å; L108-W137 HydrophobicContact CD1-CZ2 4.1Å; L108-W137 HydrophobicContact CD2-CZ2 3.69Å; L108-W137 HydrophobicContact CG-CZ2 4.31Å; F111-W137 HydrophobicContact CD1-CH2 4.09Å; F111-W137 HydrophobicContact CD1-CZ3 4.06Å; F111-W137 HydrophobicContact CE1-CH2 4Å; F111-W137 AromaticContact CE1-CZ3 3.96Å; F111-W137 HydrophobicContact CE1-CZ3 3.96Å; I112-W137 HydrophobicContact CD1-CB 4.2Å; I112-W137 HydrophobicContact CD1-CD2 3.89Å; I112-W137 HydrophobicContact CD1-CE3 4.13Å; I112-W137 HydrophobicContact CD1-CG 3.97Å; I112-W137 HydrophobicContact CG1-CD2 3.93Å; I112-W137 HydrophobicContact CG1-CE3 3.62Å; I112-W137 HydrophobicContact CG1-CG 4.43Å; I112-W137 HydrophobicContact CG1-CZ3 4.01Å; P123-W137 HydrophobicContact CB-CB 4.1Å; P124-W137 VanDerWaalsContact CD-CE3 3.49Å; P124-W137 HydrophobicContact CG-CD2 3.7Å; P124-W137 HydrophobicContact CG-CE3 3.9Å; P124-W137 HydrophobicContact CG-CG 4.45Å; P124-W137 HydrophobicContact CG-CH2 3.58Å; P124-W137 HydrophobicContact CG-CZ2 3.35Å; P124-W137 HydrophobicContact CG-CZ3 3.84Å; P124-W137 VanDerWaalsContact O-CD1 3.26Å; P124-W137 PolarHBondContact O-N 2.92Å; P124-W137 VanDerWaalsContact O-N 3.07Å; W137-Q139 VanDerWaalsContact C-N 3.28Å; W137-Q139 PolarHBondContact O-N 3.42Å; W137-L140 PolarHBondContact O-N 2.67Å; W137-F145 HydrophobicContact CB-CZ 4.15Å; W137-F145 HydrophobicContact CG-CZ 4.43Å
138	D	92.8	Very high	95.3	Very high	76 Å²	76	66.4 Å²	66.4	41%	0.406	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-76.9	-11.6	178.5	60.6	-23.9	0	0	0	114.3	P123 R136 L140	P123-D138 HydrophobicContact CB-CB 4.13Å; P123-D138 HydrophobicContact CG-CB 3.82Å; R136-D138 WeakPolarHBondContact CB-OD1 3.45Å; R136-D138 IonicContact CZ-OD1 3.61Å; R136-D138 IonicContact CZ-OD2 3.11Å; R136-D138 IonicContact NE-OD1 2.85Å; R136-D138 PolarHBondContact NE-OD1 2.86Å; R136-D138 IonicContact NE-OD2 3.41Å; R136-D138 IonicContact NH2-OD1 3.48Å; R136-D138 PolarHBondContact NH2-OD1 3.33Å; R136-D138 IonicContact NH2-OD2 2.7Å; R136-D138 PolarHBondContact NH2-OD2 3.4Å; R136-D138 PolarHBondContact O-N 2.81Å; D138-L140 VanDerWaalsContact C-N 3.33Å
139	Q	94.8	Very high	95.2	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-84.1	-13.7	171.9	-65.4	174.4	-30.3	0	0	112.1	R135 R136 W137	R135-Q139 PolarHBondContact NH2-O 2.99Å; R136-Q139 HydrophobicContact CB-CG 4.07Å; R136-Q139 WeakPolarHBondContact O-CB 3.31Å; R136-Q139 PolarHBondContact O-N 2.99Å; W137-Q139 VanDerWaalsContact C-N 3.28Å; W137-Q139 PolarHBondContact O-N 3.42Å
140	L	94.8	Very high	95.2	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.073	34%	0.337	C	S	.	.	S	Bend	trans	-99.6	141.3	-178.9	-66.6	169.8	0	0	0	110	C126 H132 R135 W137 D138 E144 F145	C126-L140 VanDerWaalsContact SG-CD1 3.52Å; H132-L140 HydrophobicContact CB-CD1 4.21Å; H132-L140 WeakPolarHBondContact ND1-CD2 3.37Å; R135-L140 HydrophobicContact CB-CD2 4.49Å; R135-L140 HydrophobicContact CB-CG 4.42Å; W137-L140 PolarHBondContact O-N 2.67Å; D138-L140 VanDerWaalsContact C-N 3.33Å; L140-E144 HydrophobicContact CB-CB 4.5Å; L140-E144 HydrophobicContact CD2-CB 4.37Å; L140-F145 HydrophobicContact CB-CE2 3.6Å; L140-F145 HydrophobicContact CB-CZ 3.81Å; L140-F145 HydrophobicContact CD1-CE1 4.06Å; L140-F145 HydrophobicContact CD1-CE2 4.25Å; L140-F145 HydrophobicContact CD1-CZ 3.66Å; L140-F145 HydrophobicContact CG-CZ 4.37Å
141	K	94.9	Very high	95.1	Very high	146 Å²	146	65.3 Å²	65.3	64%	0.635	31%	0.311	S	S	*	.			trans	-71.1	151.9	168	-60.1	-176.4	179.3	-179.7	0	109.9	E143 E144 F145	K141-E143 WeakPolarHBondContact CB-OE2 3.23Å; K141-E143 PolarHBondContact O-N 3.11Å; K141-E143 VanDerWaalsContact O-N 3.16Å; K141-E144 HydrophobicContact CB-CG 4.22Å; K141-E144 PolarHBondContact N-OE1 2.91Å; K141-E144 WeakPolarHBondContact O-CB 3.35Å; K141-E144 PolarHBondContact O-N 3.41Å; K141-F145 WeakPolarHBondContact O-CD2 3.35Å
142	I	94.2	Very high	95.2	Very high	55 Å²	55	60.7 Å²	60.7	28%	0.282	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.6	-28.2	-175.6	-159.9	62.8	0	0	0	112.3	R109 I112 I113 E144 F145	R109-I142 WeakPolarHBondContact CD-O 3.37Å; R109-I142 HydrophobicContact CG-CD1 3.51Å; R109-I142 HydrophobicContact CG-CG1 3.58Å; I112-I142 HydrophobicContact CB-CD1 4.47Å; I112-I142 HydrophobicContact CG2-CD1 4.1Å; I113-I142 HydrophobicContact CD1-CD1 4.29Å; I113-I142 HydrophobicContact CD1-CG1 4.13Å; I113-I142 HydrophobicContact CG1-CD1 3.79Å; I113-I142 HydrophobicContact CG1-CG1 4.06Å; I142-E144 VanDerWaalsContact C-N 3.3Å; I142-E144 PolarHBondContact O-N 2.85Å; I142-F145 HydrophobicContact CD1-CD2 4.28Å; I142-F145 PolarHBondContact O-N 3.44Å
143	E	93.4	Very high	95.1	Very high	99 Å²	99	62.2 Å²	62.2	46%	0.463	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-75.1	-17.2	176.5	-52.5	77.5	-167.1	0	0	113.1	K141 F145 P244	K141-E143 WeakPolarHBondContact CB-OE2 3.23Å; K141-E143 PolarHBondContact O-N 3.11Å; K141-E143 VanDerWaalsContact O-N 3.16Å; E143-F145 PolarHBondContact O-N 3.4Å; E143-P244 HydrophobicContact CB-CG 4.5Å; E143-P244 WeakPolarHBondContact O-CB 3.44Å; E143-P244 VanDerWaalsContact O-CG 3.31Å; E143-P244 WeakPolarHBondContact O-CG 3.47Å
144	E	96.2	Very high	94.9	Very high	43 Å²	43	62.3 Å²	62.3	20%	0.201	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-73.9	-18.8	175.6	-67.6	-177.8	-100.1	0	0	112.4	H132 R135 L140 K141 I142 A146	H132-E144 IonicContact CE1-OE2 2.69Å; H132-E144 PolarHBondContact NE2-O 3.18Å; R135-E144 IonicContact NH1-OE2 3.73Å; R135-E144 PolarHBondContact NH1-OE2 3.41Å; L140-E144 HydrophobicContact CB-CB 4.5Å; L140-E144 HydrophobicContact CD2-CB 4.37Å; K141-E144 HydrophobicContact CB-CG 4.22Å; K141-E144 PolarHBondContact N-OE1 2.91Å; K141-E144 WeakPolarHBondContact O-CB 3.35Å; K141-E144 PolarHBondContact O-N 3.41Å; I142-E144 VanDerWaalsContact C-N 3.3Å; I142-E144 PolarHBondContact O-N 2.85Å; E144-A146 VanDerWaalsContact C-N 3.3Å; E144-A146 PolarHBondContact O-N 3.29Å
145	F	96.3	Very high	94.7	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	29%	0.292	C	S	.	.	S	Bend	trans	-77.5	84	167.3	-62.7	-86.6	0	0	0	108.4	C104 D105 C106 L108 R109 I112 W137 L140 K141 I142 E143	C104-F145 HydrophobicContact CB-CD1 3.87Å; C104-F145 HydrophobicContact CB-CE1 3.66Å; D105-F145 WeakPolarHBondContact O-CB 3.37Å; C106-F145 WeakPolarHBondContact CA-O 3.37Å; L108-F145 HydrophobicContact CD2-CE1 4.4Å; R109-F145 HydrophobicContact CB-CB 3.97Å; R109-F145 HydrophobicContact CG-CB 4.08Å; R109-F145 PolarHBondContact NH1-O 3.46Å; I112-F145 HydrophobicContact CD1-CD1 3.6Å; I112-F145 HydrophobicContact CD1-CD2 4.28Å; I112-F145 HydrophobicContact CD1-CE1 3.13Å; I112-F145 HydrophobicContact CD1-CE2 3.89Å; I112-F145 HydrophobicContact CD1-CG 4.15Å; I112-F145 HydrophobicContact CD1-CZ 3.3Å; W137-F145 HydrophobicContact CB-CZ 4.15Å; W137-F145 HydrophobicContact CG-CZ 4.43Å; L140-F145 HydrophobicContact CB-CE2 3.6Å; L140-F145 HydrophobicContact CB-CZ 3.81Å; L140-F145 HydrophobicContact CD1-CE1 4.06Å; L140-F145 HydrophobicContact CD1-CE2 4.25Å; L140-F145 HydrophobicContact CD1-CZ 3.66Å; L140-F145 HydrophobicContact CG-CZ 4.37Å; K141-F145 WeakPolarHBondContact O-CD2 3.35Å; I142-F145 HydrophobicContact CD1-CD2 4.28Å; I142-F145 PolarHBondContact O-N 3.44Å; E143-F145 PolarHBondContact O-N 3.4Å
146	A	95.7	Very high	94.5	Very high	9 Å²	9	60.5 Å²	60.5	7%	0.074	30%	0.299	C	S	.	.			trans	-131.2	154.4	-168.8	0	0	0	0	0	111.5	E144 D176 P177 P244 A245	E144-A146 VanDerWaalsContact C-N 3.3Å; E144-A146 PolarHBondContact O-N 3.29Å; A146-D176 CarbonylContact C-O 3.56Å; A146-D176 WeakPolarHBondContact CA-O 3.42Å; A146-P177 HydrophobicContact CB-CG 4.41Å; A146-P244 HydrophobicContact CB-CB 4.03Å; A146-A245 HydrophobicContact CB-CB 3.64Å
147	C	95.6	Very high	94.5	Very high	26 Å²	26	64.3 Å²	64.3	18%	0.176	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.1	173.4	-70.3	0	0	0	0	110.3	C106 H107 D176 N243 A245	C106-C147 HydrophobicContact CB-CB 3.82Å; C106-C147 WeakPolarHBondContact CB-SG 3.36Å; C106-C147 PolarHBondContact N-SG 3.46Å; C106-C147 WeakPolarHBondContact SG-CB 3.05Å; C106-C147 CovalentContact SG-SG 2.03Å; C106-C147 PolarHBondContact SG-SG 2.69Å; H107-C147 VanDerWaalsContact CE1-SG 3.56Å; C147-D176 PolarHBondContact N-O 2.8Å; C147-N243 PolarHBondContact O-ND2 2.89Å; C147-A245 VanDerWaalsContact C-CB 3.42Å
148	L	94.2	Very high	94.4	Very high	99 Å²	99	72 Å²	72	52%	0.518	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.5	-177.5	-170.3	71.5	0	0	0	110.8
149	P	95.1	Very high	94.2	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.013	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	146.3	178.1	-21.4	33.8	0	0	0	111.3	R174 P179 A241 N243 S248	P149-R174 CarbonylContact C-O 3.57Å; P149-R174 VanDerWaalsContact CA-O 3.27Å; P149-R174 WeakPolarHBondContact CA-O 3.46Å; P149-P179 HydrophobicContact CB-CB 4.03Å; P149-P179 HydrophobicContact CB-CG 4.2Å; P149-P179 HydrophobicContact CG-CB 3.84Å; P149-P179 HydrophobicContact CG-CG 4.49Å; P149-A241 HydrophobicContact CB-CB 3.97Å; P149-N243 WeakPolarHBondContact CD-OD1 3.36Å; P149-N243 HydrophobicContact CG-CB 4.19Å; P149-S248 VanDerWaalsContact O-CB 3.27Å; P149-S248 WeakPolarHBondContact O-CB 3.34Å; P149-S248 PolarHBondContact O-OG 2.95Å
150	R	94.8	Very high	94	Very high	183 Å²	183	70.3 Å²	70.3	69%	0.691	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.1	170.8	-63.4	-178.4	179.1	179.7	0.2	108.8	V173 R174	R150-V173 WeakPolarHBondContact O-CA 3.29Å; R150-R174 HydrophobicContact CB-CB 4.37Å; R150-R174 PolarHBondContact N-O 2.8Å; R150-R174 PolarHBondContact O-N 2.93Å
151	V	94.1	Very high	93.6	Very high	31 Å²	31	70.4 Å²	70.4	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.6	-179.6	-172.3	0	0	0	0	108.9	C171 L172 V173 A241 I250	V151-C171 HydrophobicContact CG1-CB 4.27Å; V151-L172 WeakPolarHBondContact CA-O 3.09Å; V151-V173 HydrophobicContact CG1-CG2 4.31Å; V151-V173 HydrophobicContact CG2-CG2 4.4Å; V151-A241 HydrophobicContact CG2-CB 3.51Å; V151-I250 HydrophobicContact CG1-CB 3.94Å; V151-I250 HydrophobicContact CG1-CG2 3.53Å
152	S	94.9	Very high	93.3	Very high	45 Å²	45	68.4 Å²	68.4	32%	0.315	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.5	175.9	59.5	0	0	0	0	111.5	W154 C171 L172	S152-W154 PolarHBondContact O-N 3.18Å; S152-C171 WeakPolarHBondContact O-CA 3.38Å; S152-L172 PolarHBondContact N-O 3.3Å; S152-L172 PolarHBondContact O-N 2.84Å
153	A	94.4	Very high	92.8	Very high	38 Å²	38	69.6 Å²	69.6	31%	0.314	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	126.4	176.8	0	0	0	0	0	108.9	S155 R157 I250 F252	A153-S155 WeakPolarHBondContact CB-O 3.32Å; A153-R157 HydrophobicContact CB-CG 3.62Å; A153-I250 HydrophobicContact CB-CD1 3.64Å; A153-F252 HydrophobicContact CB-CE1 4.05Å; A153-F252 HydrophobicContact CB-CZ 4.28Å
154	W	91.8	Very high	92.3	Very high	119 Å²	119	68 Å²	68	45%	0.451	34%	0.34	S	S	.	.	S	Bend	trans	-98.5	-34.2	171.4	-173	-88.7	0	0	0	111.1	S152 E170 L172 I221	S152-W154 PolarHBondContact O-N 3.18Å; W154-E170 WeakPolarHBondContact CA-O 3.39Å; W154-E170 HydrophobicContact CB-CB 3.9Å; W154-E170 WeakPolarHBondContact CB-O 3.27Å; W154-E170 HydrophobicContact CG-CB 4.29Å; W154-E170 PolarHBondContact N-O 2.74Å; W154-L172 HydrophobicContact CB-CB 4.31Å; W154-L172 HydrophobicContact CE3-CB 4.01Å; W154-L172 HydrophobicContact CE3-CD1 4.02Å; W154-L172 HydrophobicContact CE3-CD2 4.01Å; W154-L172 HydrophobicContact CE3-CG 4.24Å; W154-L172 HydrophobicContact CZ3-CD1 4.19Å; W154-L172 HydrophobicContact CZ3-CD2 4.12Å; W154-I221 HydrophobicContact CD2-CD1 3.72Å; W154-I221 HydrophobicContact CD2-CG1 3.95Å; W154-I221 HydrophobicContact CE3-CD1 4.27Å; W154-I221 HydrophobicContact CE3-CG1 4.3Å; W154-I221 HydrophobicContact CG-CD1 4.15Å; W154-I221 HydrophobicContact CG-CG1 4.16Å; W154-I221 HydrophobicContact CG-CG2 4.44Å; W154-I221 HydrophobicContact CH2-CD1 4.19Å; W154-I221 HydrophobicContact CZ2-CD1 3.65Å; W154-I221 HydrophobicContact CZ3-CD1 4.48Å
155	S	92.4	Very high	92	Very high	26 Å²	26	67.7 Å²	67.7	18%	0.182	34%	0.342	C	S	.	.	S	Bend	trans	-96	174.7	165.5	69.1	0	0	0	0	111.6	A153 E170 F252	A153-S155 WeakPolarHBondContact CB-O 3.32Å; S155-E170 PolarHBondContact N-O 2.03Å; S155-E170 VanDerWaalsContact N-O 3.11Å; S155-E170 PolarHBondContact OG-N 2.78Å; S155-F252 WeakPolarHBondContact OG-CE1 3Å
156	S	94.5	Very high	91.6	Very high	67 Å²	67	73.1 Å²	73.1	47%	0.469	37%	0.371	S	S	.	.			trans	-60.6	141.9	174.8	-23.4	0	0	0	0	111.2	R158 E159 F252	S156-R158 VanDerWaalsContact C-N 3.34Å; S156-E159 WeakPolarHBondContact CB-OE1 3.46Å; S156-E159 PolarHBondContact OG-OE1 3.03Å; S156-F252 WeakPolarHBondContact O-CD1 3.4Å
157	R	94.8	Very high	91.3	Very high	164 Å²	164	73 Å²	73	62%	0.619	37%	0.37	S	S	*	.	S	Bend	trans	-75.7	-22.1	178.7	-74.7	-171.8	-73.9	-173.1	-2.8	113.6	A153 F252 Q253	A153-R157 HydrophobicContact CB-CG 3.62Å; R157-F252 CarbonylContact O-C 3.48Å; R157-F252 VanDerWaalsContact O-CA 3.28Å; R157-F252 WeakPolarHBondContact O-CA 3.48Å; R157-Q253 PolarHBondContact O-N 3.23Å
158	R	93.3	Very high	91	Very high	161 Å²	161	74.3 Å²	74.3	61%	0.608	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	121.5	178.4	-67.9	-175.5	-73	-170.1	-2.4	107.3	S156 Q253	S156-R158 VanDerWaalsContact C-N 3.34Å; R158-Q253 WeakPolarHBondContact CA-O 3.47Å; R158-Q253 HydrophobicContact CG-CB 4.29Å
159	E	89.2	Confident	90.9	Very high	52 Å²	52	69.6 Å²	69.6	24%	0.243	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.9	177.8	-69.2	-68.7	158.4	0	0	107.8	S156 V167 L169 Q253 S255	S156-E159 WeakPolarHBondContact CB-OE1 3.46Å; S156-E159 PolarHBondContact OG-OE1 3.03Å; E159-V167 HydrophobicContact CG-CG1 4.41Å; E159-L169 HydrophobicContact CG-CD2 4.25Å; E159-Q253 PolarHBondContact N-O 3.01Å; E159-S255 PolarHBondContact O-N 2.98Å
160	M	88.8	Confident	90.8	Very high	96 Å²	96	71.6 Å²	71.6	47%	0.473	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.4	170	-59.5	-176.2	69.4	0	0	107.8	S255	M160-S255 WeakPolarHBondContact CA-O 3.26Å
161	V	88.3	Confident	90.8	Very high	16 Å²	16	62.9 Å²	62.9	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.9	-171.3	-105.1	0	0	0	0	114.1	S165 V167 I254 S255 Q257	V161-S165 WeakPolarHBondContact CB-OG 3.29Å; V161-S165 WeakPolarHBondContact CG1-OG 3.34Å; V161-V167 HydrophobicContact CB-CG2 4.22Å; V161-V167 HydrophobicContact CG1-CG2 3.41Å; V161-V167 VanDerWaalsContact CG1-CG2 3.41Å; V161-V167 HydrophobicContact CG2-CG2 3.96Å; V161-I254 HydrophobicContact CG2-CG2 3.35Å; V161-S255 PolarHBondContact N-O 2.69Å; V161-Q257 PolarHBondContact O-N 3.24Å
162	D	87.7	Confident	90.7	Very high	104 Å²	104	61.7 Å²	61.7	56%	0.556	32%	0.323	S	S	*	.			trans	-69.3	143.5	164.1	-60.6	-39.8	0	0	0	110	S165 Q257	D162-S165 VanDerWaalsContact O-CB 3.26Å; D162-S165 WeakPolarHBondContact O-CB 3.5Å; D162-S165 PolarHBondContact O-N 3.48Å; D162-S165 PolarHBondContact O-OG 3.43Å; D162-Q257 WeakPolarHBondContact OD1-CB 3.42Å
163	M	84	Confident	90.6	Very high	81 Å²	81	59.6 Å²	59.6	40%	0.399	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	145.8	175.6	-65.4	-72.2	99.7	0	0	110.9	S165 V229 R231 L234	M163-S165 PolarHBondContact O-N 3.32Å; M163-V229 HydrophobicContact CE-CG1 4.37Å; M163-R231 HydrophobicContact SD-CG 3.65Å; M163-L234 HydrophobicContact CE-CD1 3.79Å; M163-L234 HydrophobicContact CE-CD2 3.91Å; M163-L234 HydrophobicContact CE-CG 4.13Å
164	A	83.5	Confident	90.5	Very high	66 Å²	66	60.4 Å²	60.4	55%	0.545	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	7.5	-176.7	0	0	0	0	0	116.6	S228 V229	A164-S228 WeakPolarHBondContact O-CA 3.44Å; A164-V229 PolarHBondContact N-O 2.76Å
165	S	88.2	Confident	90.4	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	29%	0.292	C	S	.	.			trans	-72.8	165	166.2	65	0	0	0	0	111.9	V161 D162 M163 S228 V229	V161-S165 WeakPolarHBondContact CB-OG 3.29Å; V161-S165 WeakPolarHBondContact CG1-OG 3.34Å; D162-S165 VanDerWaalsContact O-CB 3.26Å; D162-S165 WeakPolarHBondContact O-CB 3.5Å; D162-S165 PolarHBondContact O-N 3.48Å; D162-S165 PolarHBondContact O-OG 3.43Å; M163-S165 PolarHBondContact O-N 3.32Å; S165-S228 VanDerWaalsContact O-CA 3.29Å; S165-S228 WeakPolarHBondContact O-CA 3.37Å; S165-S228 PolarHBondContact O-N 3.1Å; S165-V229 WeakPolarHBondContact O-CG2 3.44Å; S165-V229 PolarHBondContact O-N 2.8Å
166	N	88.7	Confident	90.4	Very high	115 Å²	115	57.3 Å²	57.3	62%	0.615	30%	0.298	S	S	*	.			trans	-103.2	129.3	175.4	-65.6	-27.5	0	0	0	109.5	I226 K227 S228	N166-I226 WeakPolarHBondContact CA-O 3.48Å; N166-K227 WeakPolarHBondContact OD1-CA 3.43Å; N166-S228 PolarHBondContact OD1-N 2.95Å
167	V	89.1	Confident	90.3	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.4	179	179.3	0	0	0	0	109.9	E159 V161 L169 R225 I226 V229 I254	E159-V167 HydrophobicContact CG-CG1 4.41Å; V161-V167 HydrophobicContact CB-CG2 4.22Å; V161-V167 HydrophobicContact CG1-CG2 3.41Å; V161-V167 VanDerWaalsContact CG1-CG2 3.41Å; V161-V167 HydrophobicContact CG2-CG2 3.96Å; V167-L169 HydrophobicContact CG1-CD2 3.99Å; V167-L169 HydrophobicContact CG1-CG 4.3Å; V167-R225 CarbonylContact O-C 3.55Å; V167-R225 WeakPolarHBondContact O-CA 3.37Å; V167-I226 PolarHBondContact N-O 2.88Å; V167-I226 PolarHBondContact O-N 2.97Å; V167-V229 HydrophobicContact CB-CG2 4.34Å; V167-V229 HydrophobicContact CG2-CG2 3.81Å; V167-I254 HydrophobicContact CB-CD1 4.38Å; V167-I254 HydrophobicContact CG1-CD1 3.91Å
168	S	90	Very high	90.1	Very high	53 Å²	53	52.9 Å²	52.9	37%	0.371	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.3	172.7	-60.6	0	0	0	0	109.7	L224 R225	S168-L224 WeakPolarHBondContact CA-O 3.35Å; S168-R225 WeakPolarHBondContact OG-CG 3.07Å
169	L	92.2	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.9	174.5	-57.6	179.5	0	0	0	109.1	E159 V167 W183 S223 L224 Y237 F252 I254	E159-L169 HydrophobicContact CG-CD2 4.25Å; V167-L169 HydrophobicContact CG1-CD2 3.99Å; V167-L169 HydrophobicContact CG1-CG 4.3Å; L169-W183 HydrophobicContact CB-CH2 3.76Å; L169-W183 HydrophobicContact CB-CZ3 4.09Å; L169-W183 HydrophobicContact CD1-CZ3 4.36Å; L169-S223 CarbonylContact O-C 3.57Å; L169-S223 WeakPolarHBondContact O-CA 3.33Å; L169-L224 HydrophobicContact CB-CB 4.44Å; L169-L224 HydrophobicContact CD1-CD2 4.4Å; L169-L224 PolarHBondContact N-O 3.45Å; L169-L224 PolarHBondContact O-N 2.82Å; L169-Y237 HydrophobicContact CD1-CD1 4.18Å; L169-Y237 HydrophobicContact CD1-CD2 3.91Å; L169-Y237 HydrophobicContact CD1-CG 3.61Å; L169-F252 HydrophobicContact CB-CD1 4.49Å; L169-F252 HydrophobicContact CB-CG 4.41Å; L169-F252 HydrophobicContact CD1-CB 3.84Å; L169-F252 HydrophobicContact CD1-CG 4.3Å; L169-F252 HydrophobicContact CD2-CB 4.05Å; L169-F252 HydrophobicContact CD2-CD1 4.15Å; L169-F252 HydrophobicContact CD2-CG 4.27Å; L169-F252 HydrophobicContact CG-CB 4.45Å; L169-I254 HydrophobicContact CD1-CD1 4.03Å; L169-I254 HydrophobicContact CD1-CG1 4.3Å; L169-I254 HydrophobicContact CD2-CD1 4.48Å; L169-I254 HydrophobicContact CD2-CG1 4.43Å; L169-I254 HydrophobicContact CG-CD1 4.39Å
170	E	92.5	Very high	90.2	Very high	43 Å²	43	49.7 Å²	49.7	20%	0.201	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.2	-173.6	-55.5	-161.8	143.6	0	0	110.7	W154 S155 I221 H222 S223 F252	W154-E170 WeakPolarHBondContact CA-O 3.39Å; W154-E170 HydrophobicContact CB-CB 3.9Å; W154-E170 WeakPolarHBondContact CB-O 3.27Å; W154-E170 HydrophobicContact CG-CB 4.29Å; W154-E170 PolarHBondContact N-O 2.74Å; S155-E170 PolarHBondContact N-O 2.03Å; S155-E170 VanDerWaalsContact N-O 3.11Å; S155-E170 PolarHBondContact OG-N 2.78Å; E170-I221 HydrophobicContact CB-CG2 3.97Å; E170-I221 HydrophobicContact CG-CG2 4.44Å; E170-H222 WeakPolarHBondContact CA-O 3.22Å; E170-S223 WeakPolarHBondContact OE1-CB 3.35Å; E170-S223 PolarHBondContact OE1-OG 2.88Å; E170-F252 VanDerWaalsContact O-CZ 3.31Å; E170-F252 WeakPolarHBondContact O-CZ 3.08Å
171	C	93.7	Very high	90.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133	171.1	56.9	0	0	0	0	110.4	V151 S152 W183 I221 H222 C239 I250 F252	V151-C171 HydrophobicContact CG1-CB 4.27Å; S152-C171 WeakPolarHBondContact O-CA 3.38Å; C171-W183 HydrophobicContact CB-CH2 4.47Å; C171-W183 HydrophobicContact CB-CZ2 4.41Å; C171-W183 VanDerWaalsContact SG-CZ2 3.54Å; C171-I221 WeakPolarHBondContact O-CA 3.44Å; C171-H222 PolarHBondContact N-O 2.8Å; C171-H222 PolarHBondContact O-N 3.31Å; C171-C239 HydrophobicContact CB-CB 3.62Å; C171-C239 WeakPolarHBondContact CB-SG 3.4Å; C171-C239 WeakPolarHBondContact SG-CB 3.03Å; C171-C239 CovalentContact SG-SG 2.04Å; C171-C239 PolarHBondContact SG-SG 2.8Å; C171-I250 HydrophobicContact CB-CG2 4.11Å; C171-F252 HydrophobicContact CB-CE2 4.16Å; C171-F252 HydrophobicContact CB-CZ 4.15Å
172	L	92.9	Very high	90.6	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.4	169.5	-177.9	73.7	0	0	0	108.4	V151 S152 W154 V208 V211 A219 I221	V151-L172 WeakPolarHBondContact CA-O 3.09Å; S152-L172 PolarHBondContact N-O 3.3Å; S152-L172 PolarHBondContact O-N 2.84Å; W154-L172 HydrophobicContact CB-CB 4.31Å; W154-L172 HydrophobicContact CE3-CB 4.01Å; W154-L172 HydrophobicContact CE3-CD1 4.02Å; W154-L172 HydrophobicContact CE3-CD2 4.01Å; W154-L172 HydrophobicContact CE3-CG 4.24Å; W154-L172 HydrophobicContact CZ3-CD1 4.19Å; W154-L172 HydrophobicContact CZ3-CD2 4.12Å; L172-V208 HydrophobicContact CD1-CG2 4.25Å; L172-V211 HydrophobicContact CD2-CG1 4.29Å; L172-A219 HydrophobicContact CD1-CB 3.89Å; L172-I221 HydrophobicContact CD1-CG1 3.88Å
173	V	93.2	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.4	-178.3	-177.4	0	0	0	0	109.2	R150 V151 P179 V181 A219 W220 A241	R150-V173 WeakPolarHBondContact O-CA 3.29Å; V151-V173 HydrophobicContact CG1-CG2 4.31Å; V151-V173 HydrophobicContact CG2-CG2 4.4Å; V173-P179 HydrophobicContact CG1-CB 4.41Å; V173-P179 HydrophobicContact CG1-CG 3.36Å; V173-V181 HydrophobicContact CB-CG2 4.22Å; V173-V181 HydrophobicContact CG1-CG2 3.99Å; V173-V181 HydrophobicContact CG2-CG2 3.89Å; V173-A219 WeakPolarHBondContact O-CA 3.37Å; V173-W220 PolarHBondContact N-O 2.97Å; V173-W220 PolarHBondContact O-N 3.15Å; V173-A241 HydrophobicContact CG1-CB 3.53Å; V173-A241 HydrophobicContact CG2-CB 4.31Å
174	R	91.4	Very high	90.9	Very high	56 Å²	56	43.6 Å²	43.6	21%	0.211	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.9	167.7	-61.6	-177.4	-179.8	107.7	-15.5	108.6	P149 R150 A219	P149-R174 CarbonylContact C-O 3.57Å; P149-R174 VanDerWaalsContact CA-O 3.27Å; P149-R174 WeakPolarHBondContact CA-O 3.46Å; R150-R174 HydrophobicContact CB-CB 4.37Å; R150-R174 PolarHBondContact N-O 2.8Å; R150-R174 PolarHBondContact O-N 2.93Å; R174-A219 HydrophobicContact CG-CB 3.65Å
175	G	90.7	Very high	91.1	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	154.2	174.3	0	0	0	0	0	111	P177	G175-P177 CarbonylContact C-O 3.1Å; G175-P177 CarbonylContact O-C 3.56Å
176	D	91.1	Very high	91	Very high	60 Å²	60	42.4 Å²	42.4	32%	0.321	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	114.6	-178.1	-175	0.9	0	0	0	109.9	C106 R109 A146 C147 N243	C106-D176 HydrophobicContact CB-CB 4Å; C106-D176 WeakPolarHBondContact CB-OD2 3.43Å; R109-D176 IonicContact CZ-OD1 2.89Å; R109-D176 IonicContact CZ-OD2 3.32Å; R109-D176 IonicContact NH1-OD1 2.89Å; R109-D176 PolarHBondContact NH1-OD1 3.16Å; R109-D176 IonicContact NH1-OD2 2.97Å; R109-D176 IonicContact NH2-OD1 3.61Å; R109-D176 PolarHBondContact NH2-OD1 2.9Å; R109-D176 IonicContact NH2-OD2 3.5Å; R109-D176 PolarHBondContact NH2-OD2 3.07Å; A146-D176 CarbonylContact C-O 3.56Å; A146-D176 WeakPolarHBondContact CA-O 3.42Å; C147-D176 PolarHBondContact N-O 2.8Å; D176-N243 PolarHBondContact O-ND2 3.35Å
177	P	92.6	Very high	90.5	Very high	31 Å²	31	38.6 Å²	38.6	20%	0.201	19%	0.194	C	C	.	.	S	Bend	cis	-65.9	165.9	-1	30.9	-35.2	0	0	0	111.4	A146 G175 P179 N243 P244	A146-P177 HydrophobicContact CB-CG 4.41Å; G175-P177 CarbonylContact C-O 3.1Å; G175-P177 CarbonylContact O-C 3.56Å; P177-P179 WeakPolarHBondContact O-CD 3.3Å; P177-P179 VanDerWaalsContact O-N 3.14Å; P177-N243 PolarHBondContact O-ND2 2.85Å; P177-P244 HydrophobicContact CG-CG 4.22Å
178	E	90.8	Very high	89.7	Confident	107 Å²	107	44.7 Å²	44.7	50%	0.5	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-48.1	120.6	-179.2	-177.5	-179.1	168.1	0	0	110.2	W220	E178-W220 HydrophobicContact CB-CH2 3.99Å; E178-W220 HydrophobicContact CB-CZ2 4.3Å; E178-W220 HydrophobicContact CG-CD2 4.49Å; E178-W220 HydrophobicContact CG-CE3 4.44Å; E178-W220 HydrophobicContact CG-CH2 3.76Å; E178-W220 HydrophobicContact CG-CZ2 3.79Å; E178-W220 HydrophobicContact CG-CZ3 4.09Å
179	P	92.7	Very high	88.8	Confident	7 Å²	7	48.2 Å²	48.2	5%	0.045	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-77.7	144.4	-176.2	30.3	-34.6	0	0	0	111.7	P149 V173 P177 A241 T242 N243	P149-P179 HydrophobicContact CB-CB 4.03Å; P149-P179 HydrophobicContact CB-CG 4.2Å; P149-P179 HydrophobicContact CG-CB 3.84Å; P149-P179 HydrophobicContact CG-CG 4.49Å; V173-P179 HydrophobicContact CG1-CB 4.41Å; V173-P179 HydrophobicContact CG1-CG 3.36Å; P177-P179 WeakPolarHBondContact O-CD 3.3Å; P177-P179 VanDerWaalsContact O-N 3.14Å; P179-A241 HydrophobicContact CB-CB 4.05Å; P179-A241 HydrophobicContact CG-CB 4.27Å; P179-T242 CarbonylContact C-O 3.48Å; P179-T242 WeakPolarHBondContact CA-O 3.46Å; P179-N243 HydrophobicContact CB-CB 4.15Å
180	K	93.3	Very high	87.5	Confident	139 Å²	139	54.9 Å²	54.9	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.4	167.5	-173.3	-173.2	-177.5	-156	0	109.4	E182 A241 T242	K180-E182 VanDerWaalsContact CE-OE1 3.27Å; K180-E182 WeakPolarHBondContact CE-OE1 3.27Å; K180-E182 IonicContact NZ-OE1 3.4Å; K180-E182 PolarHBondContact NZ-OE1 2.84Å; K180-A241 CarbonylContact O-C 3.56Å; K180-A241 WeakPolarHBondContact O-CA 3.27Å; K180-T242 PolarHBondContact N-O 2.59Å; K180-T242 PolarHBondContact O-N 3.32Å
181	V	92.1	Very high	86.2	Confident	27 Å²	27	59.5 Å²	59.5	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.5	-180	-177.4	0	0	0	0	110.9	V173 H222 T240 A241	V173-V181 HydrophobicContact CB-CG2 4.22Å; V173-V181 HydrophobicContact CG1-CG2 3.99Å; V173-V181 HydrophobicContact CG2-CG2 3.89Å; V181-H222 HydrophobicContact CG1-CB 4.12Å; V181-T240 CarbonylContact C-O 3.35Å; V181-T240 VanDerWaalsContact CA-O 3.29Å; V181-T240 WeakPolarHBondContact CA-O 3.36Å; V181-A241 HydrophobicContact CG2-CB 4.2Å
182	E	91.6	Very high	84.9	Confident	67 Å²	67	64 Å²	64	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.6	176.7	-64.1	-176.4	169.5	0	0	110.4	K180 T240	K180-E182 VanDerWaalsContact CE-OE1 3.27Å; K180-E182 WeakPolarHBondContact CE-OE1 3.27Å; K180-E182 IonicContact NZ-OE1 3.4Å; K180-E182 PolarHBondContact NZ-OE1 2.84Å; E182-T240 PolarHBondContact N-O 3.15Å; E182-T240 PolarHBondContact O-N 2.8Å
183	W	90.6	Very high	83.8	Confident	7 Å²	7	67.3 Å²	67.3	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132	172.8	-73.8	96.7	0	0	0	110.5	L169 C171 I195 L224 Q238 C239 F252	L169-W183 HydrophobicContact CB-CH2 3.76Å; L169-W183 HydrophobicContact CB-CZ3 4.09Å; L169-W183 HydrophobicContact CD1-CZ3 4.36Å; C171-W183 HydrophobicContact CB-CH2 4.47Å; C171-W183 HydrophobicContact CB-CZ2 4.41Å; C171-W183 VanDerWaalsContact SG-CZ2 3.54Å; W183-I195 HydrophobicContact CB-CB 4.26Å; W183-I195 HydrophobicContact CB-CD1 4.21Å; W183-I195 PolarHBondContact O-N 2.92Å; W183-L224 HydrophobicContact CB-CD2 4.41Å; W183-L224 HydrophobicContact CD2-CB 3.82Å; W183-L224 HydrophobicContact CD2-CD2 3.89Å; W183-L224 HydrophobicContact CD2-CG 4.37Å; W183-L224 HydrophobicContact CE3-CB 4.21Å; W183-L224 HydrophobicContact CE3-CD2 3.72Å; W183-L224 HydrophobicContact CG-CB 4.25Å; W183-L224 HydrophobicContact CG-CD1 4.43Å; W183-L224 HydrophobicContact CG-CD2 4.21Å; W183-L224 HydrophobicContact CH2-CB 4.2Å; W183-L224 HydrophobicContact CZ2-CB 3.82Å; W183-L224 HydrophobicContact CZ3-CB 4.38Å; W183-L224 HydrophobicContact CZ3-CD2 4.21Å; W183-Q238 WeakPolarHBondContact CA-O 3.16Å; W183-C239 HydrophobicContact CD2-CB 4.02Å; W183-C239 HydrophobicContact CE3-CB 3.85Å; W183-C239 HydrophobicContact CH2-CB 3.71Å; W183-C239 HydrophobicContact CZ2-CB 3.85Å; W183-C239 HydrophobicContact CZ3-CB 3.71Å; W183-F252 AromaticContact CH2-CD2 3.88Å; W183-F252 HydrophobicContact CH2-CD2 3.88Å; W183-F252 AromaticContact CH2-CE2 3.58Å; W183-F252 HydrophobicContact CH2-CE2 3.58Å; W183-F252 HydrophobicContact CH2-CZ 4.33Å; W183-F252 AromaticContact CZ3-CD2 3.66Å; W183-F252 HydrophobicContact CZ3-CD2 3.66Å; W183-F252 AromaticContact CZ3-CE2 3.81Å; W183-F252 HydrophobicContact CZ3-CE2 3.81Å
184	K	89	Confident	82.5	Confident	67 Å²	67	70.3 Å²	70.3	29%	0.291	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134	174.4	-62.1	178.5	-178.5	177	0	109.4	F186 Y237 Q238	K184-F186 HydrophobicContact CB-CE2 3.75Å; K184-F186 HydrophobicContact CB-CZ 4.23Å; K184-F186 HydrophobicContact CD-CZ 4.43Å; K184-Y237 CarbonylContact O-C 3.08Å; K184-Y237 WeakPolarHBondContact O-CA 3.42Å; K184-Q238 HydrophobicContact CB-CB 4.37Å; K184-Q238 PolarHBondContact N-O 2.89Å; K184-Q238 PolarHBondContact O-N 2.78Å
185	F	87.6	Confident	81.4	Confident	21 Å²	21	69.1 Å²	69.1	9%	0.092	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.5	171.6	175.5	-123.6	0	0	0	109.6	N187 T192 V193 I195 D232 L234 Y237	F185-N187 HydrophobicContact CE1-CB 3.73Å; F185-N187 HydrophobicContact CZ-CB 3.88Å; F185-T192 WeakPolarHBondContact O-CA 3.47Å; F185-V193 PolarHBondContact N-O 3Å; F185-V193 PolarHBondContact O-N 2.96Å; F185-I195 HydrophobicContact CB-CD1 3.84Å; F185-I195 HydrophobicContact CB-CG1 3.89Å; F185-D232 VanDerWaalsContact CE1-O 3.29Å; F185-D232 WeakPolarHBondContact CE1-O 3.4Å; F185-D232 VanDerWaalsContact CZ-O 3.3Å; F185-D232 WeakPolarHBondContact CZ-O 3.31Å; F185-L234 WeakPolarHBondContact CZ-O 3.08Å; F185-Y237 HydrophobicContact CB-CD1 4.36Å; F185-Y237 HydrophobicContact CB-CE1 4.16Å; F185-Y237 HydrophobicContact CD2-CD1 4Å; F185-Y237 HydrophobicContact CD2-CD2 4.06Å; F185-Y237 AromaticContact CD2-CE1 3.55Å; F185-Y237 HydrophobicContact CD2-CE1 3.55Å; F185-Y237 AromaticContact CD2-CE2 3.59Å; F185-Y237 HydrophobicContact CD2-CE2 3.59Å; F185-Y237 HydrophobicContact CD2-CG 4.24Å; F185-Y237 AromaticContact CD2-CZ 3.32Å; F185-Y237 HydrophobicContact CE2-CD2 4.39Å; F185-Y237 HydrophobicContact CE2-CE1 4.27Å; F185-Y237 AromaticContact CE2-CE2 3.63Å; F185-Y237 HydrophobicContact CE2-CE2 3.63Å; F185-Y237 AromaticContact CE2-CZ 3.57Å; F185-Y237 HydrophobicContact CG-CE1 4.1Å
186	F	85.7	Confident	79.7	Confident	56 Å²	56	77.4 Å²	77.4	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	104.3	172.9	-58	-101.1	0	0	0	107.2	K184 T192 L236 Q238	K184-F186 HydrophobicContact CB-CE2 3.75Å; K184-F186 HydrophobicContact CB-CZ 4.23Å; K184-F186 HydrophobicContact CD-CZ 4.43Å; F186-T192 HydrophobicContact CD1-CG2 3.49Å; F186-T192 VanDerWaalsContact CD1-CG2 3.49Å; F186-T192 HydrophobicContact CE1-CG2 3.33Å; F186-T192 HydrophobicContact CZ-CG2 4.27Å; F186-L236 HydrophobicContact CB-CB 4.21Å; F186-L236 PolarHBondContact N-O 2.93Å; F186-L236 PolarHBondContact O-N 3.02Å; F186-Q238 HydrophobicContact CD2-CB 4.47Å; F186-Q238 HydrophobicContact CE2-CB 3.77Å; F186-Q238 VanDerWaalsContact CZ-OE1 3.3Å
187	N	78.7	Confident	77.8	Confident	35 Å²	35	79.1 Å²	79.1	19%	0.187	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	158.4	169.2	-173.4	11	0	0	0	109.3	F185 D189 N190	F185-N187 HydrophobicContact CE1-CB 3.73Å; F185-N187 HydrophobicContact CZ-CB 3.88Å; N187-D189 PolarHBondContact ND2-OD2 2.59Å; N187-D189 VanDerWaalsContact ND2-OD2 3.1Å; N187-D189 PolarHBondContact O-N 2.68Å; N187-D189 VanDerWaalsContact O-N 3.09Å; N187-N190 PolarHBondContact O-N 3.48Å
188	Y	70.9	Confident	75.1	Confident	135 Å²	135	83.2 Å²	83.2	53%	0.529	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.4	173.8	-66.7	-78.2	0	0	0	113.2	N190 L234	Y188-N190 PolarHBondContact O-N 2.92Å; Y188-L234 HydrophobicContact CE2-CB 4.25Å
189	D	70.9	Confident	72.8	Confident	128 Å²	128	80.6 Å²	80.6	68%	0.684	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	10.9	174.1	-55.7	-47.5	0	0	0	113.8	N187 E191	N187-D189 PolarHBondContact ND2-OD2 2.59Å; N187-D189 VanDerWaalsContact ND2-OD2 3.1Å; N187-D189 PolarHBondContact O-N 2.68Å; N187-D189 VanDerWaalsContact O-N 3.09Å; D189-E191 VanDerWaalsContact C-N 3.25Å; D189-E191 PolarHBondContact O-N 2.99Å
190	N	64.9	Low	70.6	Confident	140 Å²	140	83.1 Å²	83.1	75%	0.749	45%	0.445	S	S	*	.			trans	63.4	11.6	178.7	-84.7	-15.6	0	0	0	116.9	N187 Y188 T192	N187-N190 PolarHBondContact O-N 3.48Å; Y188-N190 PolarHBondContact O-N 2.92Å; N190-T192 PolarHBondContact O-N 3.28Å
191	E	65.8	Low	68.8	Low	139 Å²	139	76.9 Å²	76.9	65%	0.65	42%	0.419	S	S	*	.			trans	-75.9	122.2	170.8	-69.4	-167.9	167.9	0	0	111.2	D189	D189-E191 VanDerWaalsContact C-N 3.25Å; D189-E191 PolarHBondContact O-N 2.99Å
192	T	65.7	Low	67.1	Low	94 Å²	94	80.5 Å²	80.5	58%	0.577	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	113.7	175.1	66.8	0	0	0	0	110.3	F185 F186 N190	F185-T192 WeakPolarHBondContact O-CA 3.47Å; F186-T192 HydrophobicContact CD1-CG2 3.49Å; F186-T192 VanDerWaalsContact CD1-CG2 3.49Å; F186-T192 HydrophobicContact CE1-CG2 3.33Å; F186-T192 HydrophobicContact CZ-CG2 4.27Å; N190-T192 PolarHBondContact O-N 3.28Å
193	V	69.8	Low	65.6	Low	78 Å²	78	80 Å²	80	47%	0.473	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.5	174.5	-174.9	0	0	0	0	109	F185 I195	F185-V193 PolarHBondContact N-O 3Å; F185-V193 PolarHBondContact O-N 2.96Å; V193-I195 PolarHBondContact O-N 2.9Å
194	V	65.8	Low	64.3	Low	63 Å²	63	84.5 Å²	84.5	38%	0.382	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.9	170.4	-177.3	0	0	0	0	107.5	R196	V194-R196 HydrophobicContact CG1-CG 3.93Å; V194-R196 PolarHBondContact O-N 2.84Å
195	I	69.3	Low	63.5	Low	30 Å²	30	90 Å²	90	15%	0.154	48%	0.475	C	S	.	.			trans	-77.8	89.5	-176.5	-47.2	174.8	0	0	0	108.4	W183 F185 V193 D197 A201 L224 Y237	W183-I195 HydrophobicContact CB-CB 4.26Å; W183-I195 HydrophobicContact CB-CD1 4.21Å; W183-I195 PolarHBondContact O-N 2.92Å; F185-I195 HydrophobicContact CB-CD1 3.84Å; F185-I195 HydrophobicContact CB-CG1 3.89Å; V193-I195 PolarHBondContact O-N 2.9Å; I195-D197 PolarHBondContact O-N 2.04Å; I195-A201 HydrophobicContact CG2-CB 4.06Å; I195-L224 HydrophobicContact CD1-CD1 4.2Å; I195-L224 HydrophobicContact CD1-CD2 3.63Å; I195-L224 HydrophobicContact CG2-CD1 3.99Å; I195-Y237 HydrophobicContact CD1-CD1 3.61Å; I195-Y237 HydrophobicContact CD1-CE1 3.61Å
196	R	54.4	Low	62.8	Low	195 Å²	195	92.2 Å²	92.2	74%	0.736	49%	0.49	S	S	*	.			trans	-96	76.8	177.8	-69.2	-174.7	175.3	171.4	0.5	110.7	V194 S198	V194-R196 HydrophobicContact CG1-CG 3.93Å; V194-R196 PolarHBondContact O-N 2.84Å; R196-S198 WeakPolarHBondContact O-CA 3.47Å; R196-S198 WeakPolarHBondContact O-CB 3.4Å; R196-S198 PolarHBondContact O-N 2.83Å; R196-S198 PolarHBondContact O-OG 2.91Å
197	D	52.4	Low	61.7	Low	95 Å²	95	95.1 Å²	95.1	51%	0.508	51%	0.506	S	S	.	.	S	Bend	trans	46.6	2.3	165.7	-116.8	4.4	0	0	0	118.6	I195 N203	I195-D197 PolarHBondContact O-N 2.04Å; D197-N203 PolarHBondContact OD1-N 3.44Å
198	S	36	Very low	61.1	Low	118 Å²	118	94.8 Å²	94.8	83%	0.825	51%	0.505	S	S	*	.			trans	-122.4	20.1	-157.1	-51.2	0	0	0	0	113.1	R196	R196-S198 WeakPolarHBondContact O-CA 3.47Å; R196-S198 WeakPolarHBondContact O-CB 3.4Å; R196-S198 PolarHBondContact O-N 2.83Å; R196-S198 PolarHBondContact O-OG 2.91Å
199	G	40.8	Very low	60.2	Low	52 Å²	52	93.3 Å²	93.3	54%	0.536	51%	0.514	S	S	.	.	S	Bend	trans	-152.3	78.5	175.4	0	0	0	0	0	110.4	A201	G199-A201 PolarHBondContact O-N 3.18Å
200	G	47	Very low	59.2	Low	60 Å²	60	93.3 Å²	93.3	62%	0.619	52%	0.515	S	S	*	.	S	Bend	trans	69.7	-25.1	175.1	0	0	0	0	0	116.6
201	A	54.9	Low	58.4	Low	7 Å²	7	87.8 Å²	87.8	6%	0.058	49%	0.486	C	S	.	.			trans	-93.7	116	-174.6	0	0	0	0	0	112.9	I195 G199 L224 R225 I226	I195-A201 HydrophobicContact CG2-CB 4.06Å; G199-A201 PolarHBondContact O-N 3.18Å; A201-L224 HydrophobicContact CB-CD1 3.62Å; A201-R225 WeakPolarHBondContact CA-O 3.4Å; A201-I226 HydrophobicContact CB-CG1 4.49Å
202	L	57.6	Low	57.7	Low	103 Å²	103	89.3 Å²	89.3	54%	0.539	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.3	179	-162.9	92.6	0	0	0	109.6	R225	L202-R225 PolarHBondContact N-O 3.08Å; L202-R225 PolarHBondContact O-N 3.21Å
203	N	59.6	Low	56.9	Low	56 Å²	56	92.5 Å²	92.5	30%	0.299	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.1	173.9	-76.4	-34.2	0	0	0	110.6	D197 S223 L224	D197-N203 PolarHBondContact OD1-N 3.44Å; N203-S223 CarbonylContact C-O 3.56Å; N203-S223 WeakPolarHBondContact CA-O 3.31Å; N203-L224 WeakPolarHBondContact OD1-CD1 3.29Å
204	K	64.4	Low	55.7	Low	103 Å²	103	95.8 Å²	95.8	45%	0.448	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.8	175.7	-169.6	177.7	178.6	-176.3	0	111	S223	K204-S223 PolarHBondContact N-O 2.78Å; K204-S223 PolarHBondContact O-N 2.84Å
205	R	71.8	Confident	54.8	Low	183 Å²	183	98.8 Å²	98.8	69%	0.691	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.8	170.8	67.2	179.6	-179.6	177.8	-1.2	111	I221	R205-I221 CarbonylContact C-O 3.54Å; R205-I221 WeakPolarHBondContact CA-O 3.17Å
206	T	71.5	Confident	54	Low	66 Å²	66	105.7 Å²	105.7	41%	0.405	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.4	126.5	176.3	-48.9	0	0	0	0	109.6	I221	T206-I221 PolarHBondContact N-O 2.9Å; T206-I221 PolarHBondContact O-N 3.3Å
207	M	63.4	Low	54.2	Low	117 Å²	117	100.9 Å²	100.9	58%	0.576	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.1	135.7	175.3	-178.3	-177.3	-88.9	0	0	109.7
208	V	65.4	Low	55	Low	29 Å²	29	102.1 Å²	102.1	18%	0.176	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	112.6	175.3	-169.3	0	0	0	0	108.5	L172 N210 V211 A219 I221	L172-V208 HydrophobicContact CD1-CG2 4.25Å; V208-N210 VanDerWaalsContact C-N 3.29Å; V208-N210 PolarHBondContact O-N 2.91Å; V208-V211 HydrophobicContact CB-CG2 3.74Å; V208-V211 HydrophobicContact CG1-CG2 3.43Å; V208-V211 VanDerWaalsContact CG1-CG2 3.43Å; V208-A219 PolarHBondContact N-O 2.94Å; V208-I221 HydrophobicContact CG2-CD1 3.26Å; V208-I221 HydrophobicContact CG2-CG1 3.48Å; V208-I221 VanDerWaalsContact CG2-CG1 3.48Å
209	S	52.6	Low	57.3	Low	103 Å²	103	96.5 Å²	96.5	72%	0.72	52%	0.52	S	S	*	.	S	Bend	trans	-84.4	2.1	-178.4	68.1	0	0	0	0	114.1
210	N	49.9	Very low	59.5	Low	129 Å²	129	95 Å²	95	69%	0.69	50%	0.498	S	S	*	.			trans	-150	74.2	-176.9	-89.2	-35.7	0	0	0	111.3	V208	V208-N210 VanDerWaalsContact C-N 3.29Å; V208-N210 PolarHBondContact O-N 2.91Å
211	V	49.1	Very low	61.5	Low	24 Å²	24	92.8 Å²	92.8	15%	0.145	47%	0.472	C	S	.	.	S	Bend	trans	-103	104	165.3	-158.5	0	0	0	0	108.8	L172 V208 A219	L172-V211 HydrophobicContact CD2-CG1 4.29Å; V208-V211 HydrophobicContact CB-CG2 3.74Å; V208-V211 HydrophobicContact CG1-CG2 3.43Å; V208-V211 VanDerWaalsContact CG1-CG2 3.43Å; V211-A219 HydrophobicContact CG2-CB 4.02Å
212	H	51.2	Low	63.2	Low	171 Å²	171	94 Å²	94	79%	0.792	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	53.3	170.6	-64.8	-53	0	0	0	118.2	K214	H212-K214 PolarHBondContact O-N 2.96Å
213	N	48.3	Very low	64.8	Low	160 Å²	160	89.2 Å²	89.2	86%	0.856	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	19.9	165.5	-80.8	-4.4	0	0	0	116.5
214	K	44.2	Very low	66.2	Low	148 Å²	148	86.5 Å²	86.5	64%	0.643	44%	0.437	S	S	*	.			trans	-116.3	103.7	164.4	-75.7	-168.7	176.3	-172.7	0	108.6	H212 E216	H212-K214 PolarHBondContact O-N 2.96Å; K214-E216 PolarHBondContact O-N 2.94Å; K214-E216 VanDerWaalsContact O-N 3.08Å
215	P	47.7	Very low	67.3	Low	125 Å²	125	86.2 Å²	86.2	81%	0.812	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.6	-173.2	-17.8	30.4	0	0	0	114.8
216	E	52	Low	68	Low	175 Å²	175	77.9 Å²	77.9	82%	0.818	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-11.8	-165.6	-63.6	-177.8	175.7	0	0	114.4	K214 M218	K214-E216 PolarHBondContact O-N 2.94Å; K214-E216 VanDerWaalsContact O-N 3.08Å; E216-M218 PolarHBondContact O-N 2.86Å; E216-M218 VanDerWaalsContact O-N 3.15Å
217	D	59.3	Low	68.6	Low	94 Å²	94	81.7 Å²	81.7	50%	0.503	41%	0.414	S	S	.	.			trans	-88.6	85.2	177.6	-74.5	-20.3	0	0	0	109.9	A219	D217-A219 PolarHBondContact O-N 3.35Å
218	M	68.9	Low	69.6	Low	121 Å²	121	79.1 Å²	79.1	60%	0.596	41%	0.407	S	S	*	.			trans	-50.3	124	172.7	-71.8	-173	-80.4	0	0	110.3	E216 W220	E216-M218 PolarHBondContact O-N 2.86Å; E216-M218 VanDerWaalsContact O-N 3.15Å; M218-W220 HydrophobicContact CB-CH2 3.54Å; M218-W220 HydrophobicContact CB-CZ2 3.78Å; M218-W220 HydrophobicContact CB-CZ3 4.12Å; M218-W220 VanDerWaalsContact O-CZ3 3.3Å; M218-W220 WeakPolarHBondContact O-CZ3 3.16Å; M218-W220 HydrophobicContact SD-CZ2 4.25Å
219	A	84.5	Confident	70.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.3	-179.7	0	0	0	0	0	110.2	L172 V173 R174 V208 V211 D217	L172-A219 HydrophobicContact CD1-CB 3.89Å; V173-A219 WeakPolarHBondContact O-CA 3.37Å; R174-A219 HydrophobicContact CG-CB 3.65Å; V208-A219 PolarHBondContact N-O 2.94Å; V211-A219 HydrophobicContact CG2-CB 4.02Å; D217-A219 PolarHBondContact O-N 3.35Å
220	W	85.9	Confident	72	Confident	20 Å²	20	79.2 Å²	79.2	8%	0.076	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.2	-177.2	-58	-95.2	0	0	0	110.2	V173 E178 M218	V173-W220 PolarHBondContact N-O 2.97Å; V173-W220 PolarHBondContact O-N 3.15Å; E178-W220 HydrophobicContact CB-CH2 3.99Å; E178-W220 HydrophobicContact CB-CZ2 4.3Å; E178-W220 HydrophobicContact CG-CD2 4.49Å; E178-W220 HydrophobicContact CG-CE3 4.44Å; E178-W220 HydrophobicContact CG-CH2 3.76Å; E178-W220 HydrophobicContact CG-CZ2 3.79Å; E178-W220 HydrophobicContact CG-CZ3 4.09Å; M218-W220 HydrophobicContact CB-CH2 3.54Å; M218-W220 HydrophobicContact CB-CZ2 3.78Å; M218-W220 HydrophobicContact CB-CZ3 4.12Å; M218-W220 VanDerWaalsContact O-CZ3 3.3Å; M218-W220 WeakPolarHBondContact O-CZ3 3.16Å; M218-W220 HydrophobicContact SD-CZ2 4.25Å
221	I	89.5	Confident	73.6	Confident	15 Å²	15	82.9 Å²	82.9	8%	0.077	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123	166.9	-63.4	163.6	0	0	0	107.8	W154 E170 C171 L172 R205 T206 V208	W154-I221 HydrophobicContact CD2-CD1 3.72Å; W154-I221 HydrophobicContact CD2-CG1 3.95Å; W154-I221 HydrophobicContact CE3-CD1 4.27Å; W154-I221 HydrophobicContact CE3-CG1 4.3Å; W154-I221 HydrophobicContact CG-CD1 4.15Å; W154-I221 HydrophobicContact CG-CG1 4.16Å; W154-I221 HydrophobicContact CG-CG2 4.44Å; W154-I221 HydrophobicContact CH2-CD1 4.19Å; W154-I221 HydrophobicContact CZ2-CD1 3.65Å; W154-I221 HydrophobicContact CZ3-CD1 4.48Å; E170-I221 HydrophobicContact CB-CG2 3.97Å; E170-I221 HydrophobicContact CG-CG2 4.44Å; C171-I221 WeakPolarHBondContact O-CA 3.44Å; L172-I221 HydrophobicContact CD1-CG1 3.88Å; R205-I221 CarbonylContact C-O 3.54Å; R205-I221 WeakPolarHBondContact CA-O 3.17Å; T206-I221 PolarHBondContact N-O 2.9Å; T206-I221 PolarHBondContact O-N 3.3Å; V208-I221 HydrophobicContact CG2-CD1 3.26Å; V208-I221 HydrophobicContact CG2-CG1 3.48Å; V208-I221 VanDerWaalsContact CG2-CG1 3.48Å
222	H	90.6	Very high	75.1	Confident	31 Å²	31	85.6 Å²	85.6	14%	0.144	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.7	169.7	-72.1	-106.5	0	0	0	108.5	E170 C171 V181	E170-H222 WeakPolarHBondContact CA-O 3.22Å; C171-H222 PolarHBondContact N-O 2.8Å; C171-H222 PolarHBondContact O-N 3.31Å; V181-H222 HydrophobicContact CG1-CB 4.12Å
223	S	90.2	Very high	76.7	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.021	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.4	-175.3	-171.9	0	0	0	0	109.4	L169 E170 N203 K204	L169-S223 CarbonylContact O-C 3.57Å; L169-S223 WeakPolarHBondContact O-CA 3.33Å; E170-S223 WeakPolarHBondContact OE1-CB 3.35Å; E170-S223 PolarHBondContact OE1-OG 2.88Å; N203-S223 CarbonylContact C-O 3.56Å; N203-S223 WeakPolarHBondContact CA-O 3.31Å; K204-S223 PolarHBondContact N-O 2.78Å; K204-S223 PolarHBondContact O-N 2.84Å
224	L	89.6	Confident	78.5	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.4	170.8	175.6	71.7	0	0	0	108.3	S168 L169 W183 I195 A201 N203 Y237	S168-L224 WeakPolarHBondContact CA-O 3.35Å; L169-L224 HydrophobicContact CB-CB 4.44Å; L169-L224 HydrophobicContact CD1-CD2 4.4Å; L169-L224 PolarHBondContact N-O 3.45Å; L169-L224 PolarHBondContact O-N 2.82Å; W183-L224 HydrophobicContact CB-CD2 4.41Å; W183-L224 HydrophobicContact CD2-CB 3.82Å; W183-L224 HydrophobicContact CD2-CD2 3.89Å; W183-L224 HydrophobicContact CD2-CG 4.37Å; W183-L224 HydrophobicContact CE3-CB 4.21Å; W183-L224 HydrophobicContact CE3-CD2 3.72Å; W183-L224 HydrophobicContact CG-CB 4.25Å; W183-L224 HydrophobicContact CG-CD1 4.43Å; W183-L224 HydrophobicContact CG-CD2 4.21Å; W183-L224 HydrophobicContact CH2-CB 4.2Å; W183-L224 HydrophobicContact CZ2-CB 3.82Å; W183-L224 HydrophobicContact CZ3-CB 4.38Å; W183-L224 HydrophobicContact CZ3-CD2 4.21Å; I195-L224 HydrophobicContact CD1-CD1 4.2Å; I195-L224 HydrophobicContact CD1-CD2 3.63Å; I195-L224 HydrophobicContact CG2-CD1 3.99Å; A201-L224 HydrophobicContact CB-CD1 3.62Å; N203-L224 WeakPolarHBondContact OD1-CD1 3.29Å; L224-Y237 HydrophobicContact CD2-CD1 3.48Å; L224-Y237 VanDerWaalsContact CD2-CD1 3.48Å; L224-Y237 HydrophobicContact CD2-CE1 3.92Å; L224-Y237 HydrophobicContact CD2-CG 4.4Å
225	R	86.9	Confident	80.6	Confident	97 Å²	97	64.7 Å²	64.7	37%	0.366	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112	-176.2	-61.2	-170.2	175.6	178.3	-8.8	111.9	V167 S168 A201 L202	V167-R225 CarbonylContact O-C 3.55Å; V167-R225 WeakPolarHBondContact O-CA 3.37Å; S168-R225 WeakPolarHBondContact OG-CG 3.07Å; A201-R225 WeakPolarHBondContact CA-O 3.4Å; L202-R225 PolarHBondContact N-O 3.08Å; L202-R225 PolarHBondContact O-N 3.21Å
226	I	86.7	Confident	82.8	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.8	176.9	-57.1	157.4	0	0	0	108	N166 V167 A201 V229 E233 Y237 I254	N166-I226 WeakPolarHBondContact CA-O 3.48Å; V167-I226 PolarHBondContact N-O 2.88Å; V167-I226 PolarHBondContact O-N 2.97Å; A201-I226 HydrophobicContact CB-CG1 4.49Å; I226-V229 HydrophobicContact CB-CG2 4.41Å; I226-V229 HydrophobicContact CG2-CG2 3.89Å; I226-E233 WeakPolarHBondContact CG2-OE2 3.42Å; I226-Y237 HydrophobicContact CD1-CE1 3.73Å; I226-Y237 HydrophobicContact CD1-CE2 4.2Å; I226-Y237 WeakPolarHBondContact CD1-OH 3.37Å; I226-I254 HydrophobicContact CD1-CD1 3.49Å; I226-I254 VanDerWaalsContact CD1-CD1 3.49Å
227	K	83.9	Confident	84.7	Confident	147 Å²	147	54.1 Å²	54.1	64%	0.639	25%	0.248	S	C	*	.	S	Bend	trans	-93.9	129.9	177.5	-68	-176.3	-179.3	179.1	0	109.8	N166	N166-K227 WeakPolarHBondContact OD1-CA 3.43Å
228	S	84.8	Confident	86.3	Confident	63 Å²	63	51.5 Å²	51.5	44%	0.441	23%	0.233	S	C	.	.	S	Bend	trans	50.5	71.1	178.5	-61.8	0	0	0	0	113	A164 S165 N166 R230	A164-S228 WeakPolarHBondContact O-CA 3.44Å; S165-S228 VanDerWaalsContact O-CA 3.29Å; S165-S228 WeakPolarHBondContact O-CA 3.37Å; S165-S228 PolarHBondContact O-N 3.1Å; N166-S228 PolarHBondContact OD1-N 2.95Å; S228-R230 PolarHBondContact O-N 2.79Å
229	V	84.5	Confident	87.5	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	21%	0.205	C	C	.	.			trans	-49.8	126.4	-176.1	177.3	0	0	0	0	111.6	M163 A164 S165 V167 I226 L234	M163-V229 HydrophobicContact CE-CG1 4.37Å; A164-V229 PolarHBondContact N-O 2.76Å; S165-V229 WeakPolarHBondContact O-CG2 3.44Å; S165-V229 PolarHBondContact O-N 2.8Å; V167-V229 HydrophobicContact CB-CG2 4.34Å; V167-V229 HydrophobicContact CG2-CG2 3.81Å; I226-V229 HydrophobicContact CB-CG2 4.41Å; I226-V229 HydrophobicContact CG2-CG2 3.89Å; V229-L234 HydrophobicContact CG1-CD2 4.09Å
230	R	85.1	Confident	88	Confident	131 Å²	131	46.2 Å²	46.2	49%	0.494	21%	0.207	S	C	.	.			trans	-100.1	162.9	174.5	-58.3	179.6	-70.6	133.6	5.7	110.9	S228 D232 E233	S228-R230 PolarHBondContact O-N 2.79Å; R230-D232 VanDerWaalsContact C-N 3.27Å; R230-D232 WeakPolarHBondContact CB-OD1 3.28Å; R230-D232 IonicContact CZ-OD1 3.84Å; R230-D232 IonicContact CZ-OD2 3.38Å; R230-D232 VanDerWaalsContact CZ-OD2 3.24Å; R230-D232 IonicContact NE-OD1 3.08Å; R230-D232 IonicContact NH1-OD1 3.66Å; R230-D232 PolarHBondContact NH1-OD1 2.86Å; R230-D232 IonicContact NH1-OD2 3.45Å; R230-D232 PolarHBondContact NH1-OD2 3.09Å; R230-D232 IonicContact NH2-OD2 3.91Å; R230-D232 PolarHBondContact NH2-OD2 3.36Å; R230-D232 PolarHBondContact O-N 2.95Å; R230-E233 HydrophobicContact CB-CG 4.37Å; R230-E233 IonicContact CZ-OE1 2.77Å; R230-E233 PolarHBondContact N-OE2 2.99Å; R230-E233 IonicContact NE-OE1 3.89Å; R230-E233 PolarHBondContact NE-OE1 3.32Å; R230-E233 IonicContact NE-OE2 2.76Å; R230-E233 IonicContact NH2-OE1 3.18Å; R230-E233 PolarHBondContact NH2-OE1 3.45Å; R230-E233 WeakPolarHBondContact O-CB 3.45Å; R230-E233 PolarHBondContact O-N 3.31Å
231	R	82.4	Confident	88.4	Confident	206 Å²	206	45.2 Å²	45.2	78%	0.777	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-61.6	-34.4	-179.8	-75.9	-170.6	-169.7	175.6	2.9	113.1	M163 E233 L234	M163-R231 HydrophobicContact SD-CG 3.65Å; R231-E233 PolarHBondContact O-N 2.77Å; R231-L234 WeakPolarHBondContact O-CB 3.37Å; R231-L234 PolarHBondContact O-N 3.48Å
232	D	81.1	Confident	88.7	Confident	80 Å²	80	47.1 Å²	47.1	43%	0.428	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-71.8	-7.6	177	56.5	-45.7	0	0	0	113.5	F185 R230	F185-D232 VanDerWaalsContact CE1-O 3.29Å; F185-D232 WeakPolarHBondContact CE1-O 3.4Å; F185-D232 VanDerWaalsContact CZ-O 3.3Å; F185-D232 WeakPolarHBondContact CZ-O 3.31Å; R230-D232 VanDerWaalsContact C-N 3.27Å; R230-D232 WeakPolarHBondContact CB-OD1 3.28Å; R230-D232 IonicContact CZ-OD1 3.84Å; R230-D232 IonicContact CZ-OD2 3.38Å; R230-D232 VanDerWaalsContact CZ-OD2 3.24Å; R230-D232 IonicContact NE-OD1 3.08Å; R230-D232 IonicContact NH1-OD1 3.66Å; R230-D232 PolarHBondContact NH1-OD1 2.86Å; R230-D232 IonicContact NH1-OD2 3.45Å; R230-D232 PolarHBondContact NH1-OD2 3.09Å; R230-D232 IonicContact NH2-OD2 3.91Å; R230-D232 PolarHBondContact NH2-OD2 3.36Å; R230-D232 PolarHBondContact O-N 2.95Å
233	E	83.8	Confident	89	Confident	24 Å²	24	46.4 Å²	46.4	11%	0.112	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-103.7	3.5	177.9	-63.6	171.1	163.9	0	0	112.1	I226 R230 R231 Y237	I226-E233 WeakPolarHBondContact CG2-OE2 3.42Å; R230-E233 HydrophobicContact CB-CG 4.37Å; R230-E233 IonicContact CZ-OE1 2.77Å; R230-E233 PolarHBondContact N-OE2 2.99Å; R230-E233 IonicContact NE-OE1 3.89Å; R230-E233 PolarHBondContact NE-OE1 3.32Å; R230-E233 IonicContact NE-OE2 2.76Å; R230-E233 IonicContact NH2-OE1 3.18Å; R230-E233 PolarHBondContact NH2-OE1 3.45Å; R230-E233 WeakPolarHBondContact O-CB 3.45Å; R230-E233 PolarHBondContact O-N 3.31Å; R231-E233 PolarHBondContact O-N 2.77Å; E233-Y237 WeakPolarHBondContact O-CE2 3.5Å; E233-Y237 PolarHBondContact O-OH 2.8Å
234	L	86.9	Confident	89.2	Confident	16 Å²	16	48.6 Å²	48.6	8%	0.084	23%	0.228	C	C	.	.			trans	-78.8	137	172.1	-62.7	174.1	0	0	0	109.8	M163 F185 Y188 V229 R231 I254 P256	M163-L234 HydrophobicContact CE-CD1 3.79Å; M163-L234 HydrophobicContact CE-CD2 3.91Å; M163-L234 HydrophobicContact CE-CG 4.13Å; F185-L234 WeakPolarHBondContact CZ-O 3.08Å; Y188-L234 HydrophobicContact CE2-CB 4.25Å; V229-L234 HydrophobicContact CG1-CD2 4.09Å; R231-L234 WeakPolarHBondContact O-CB 3.37Å; R231-L234 PolarHBondContact O-N 3.48Å; L234-I254 HydrophobicContact CD2-CG2 3.81Å; L234-P256 HydrophobicContact CD1-CB 4.13Å; L234-P256 HydrophobicContact CD1-CG 4.18Å
235	G	89.2	Confident	89.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.2	-154.6	-178.3	0	0	0	0	0	113.6	I254	G235-I254 PolarHBondContact N-O 2.76Å; G235-I254 VanDerWaalsContact N-O 3.11Å; G235-I254 PolarHBondContact O-N 2.98Å
236	L	92.2	Very high	89.9	Confident	72 Å²	72	47.3 Å²	47.3	38%	0.377	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.9	-176.4	-59.1	172.4	0	0	0	110.9	F186 V251 F252 Q253	F186-L236 HydrophobicContact CB-CB 4.21Å; F186-L236 PolarHBondContact N-O 2.93Å; F186-L236 PolarHBondContact O-N 3.02Å; L236-V251 HydrophobicContact CB-CG1 4.02Å; L236-V251 HydrophobicContact CD2-CG1 4.01Å; L236-V251 HydrophobicContact CG-CG1 4.45Å; L236-F252 CarbonylContact C-O 3.53Å; L236-F252 WeakPolarHBondContact CA-O 3.43Å; L236-Q253 HydrophobicContact CD2-CB 3.79Å; L236-Q253 HydrophobicContact CD2-CG 3.88Å
237	Y	92.1	Very high	90.4	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121	178.9	-71	-96.1	0	0	0	109.3	L169 K184 F185 I195 L224 I226 E233 V251 F252 I254	L169-Y237 HydrophobicContact CD1-CD1 4.18Å; L169-Y237 HydrophobicContact CD1-CD2 3.91Å; L169-Y237 HydrophobicContact CD1-CG 3.61Å; K184-Y237 CarbonylContact O-C 3.08Å; K184-Y237 WeakPolarHBondContact O-CA 3.42Å; F185-Y237 HydrophobicContact CB-CD1 4.36Å; F185-Y237 HydrophobicContact CB-CE1 4.16Å; F185-Y237 HydrophobicContact CD2-CD1 4Å; F185-Y237 HydrophobicContact CD2-CD2 4.06Å; F185-Y237 AromaticContact CD2-CE1 3.55Å; F185-Y237 HydrophobicContact CD2-CE1 3.55Å; F185-Y237 AromaticContact CD2-CE2 3.59Å; F185-Y237 HydrophobicContact CD2-CE2 3.59Å; F185-Y237 HydrophobicContact CD2-CG 4.24Å; F185-Y237 AromaticContact CD2-CZ 3.32Å; F185-Y237 HydrophobicContact CE2-CD2 4.39Å; F185-Y237 HydrophobicContact CE2-CE1 4.27Å; F185-Y237 AromaticContact CE2-CE2 3.63Å; F185-Y237 HydrophobicContact CE2-CE2 3.63Å; F185-Y237 AromaticContact CE2-CZ 3.57Å; F185-Y237 HydrophobicContact CG-CE1 4.1Å; I195-Y237 HydrophobicContact CD1-CD1 3.61Å; I195-Y237 HydrophobicContact CD1-CE1 3.61Å; L224-Y237 HydrophobicContact CD2-CD1 3.48Å; L224-Y237 VanDerWaalsContact CD2-CD1 3.48Å; L224-Y237 HydrophobicContact CD2-CE1 3.92Å; L224-Y237 HydrophobicContact CD2-CG 4.4Å; I226-Y237 HydrophobicContact CD1-CE1 3.73Å; I226-Y237 HydrophobicContact CD1-CE2 4.2Å; I226-Y237 WeakPolarHBondContact CD1-OH 3.37Å; E233-Y237 WeakPolarHBondContact O-CE2 3.5Å; E233-Y237 PolarHBondContact O-OH 2.8Å; Y237-V251 CarbonylContact O-C 3.53Å; Y237-V251 WeakPolarHBondContact O-CA 3.39Å; Y237-F252 PolarHBondContact N-O 3.18Å; Y237-F252 PolarHBondContact O-N 2.85Å; Y237-I254 HydrophobicContact CD2-CD1 3.95Å; Y237-I254 HydrophobicContact CD2-CG1 3.96Å; Y237-I254 HydrophobicContact CE2-CB 4.19Å; Y237-I254 HydrophobicContact CE2-CD1 3.55Å; Y237-I254 HydrophobicContact CE2-CG1 3.86Å
238	Q	93.4	Very high	91	Very high	39 Å²	39	45 Å²	45	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.5	-178.8	-171.8	179.5	-3.9	0	0	110.5	W183 K184 F186 S249 I250 V251	W183-Q238 WeakPolarHBondContact CA-O 3.16Å; K184-Q238 HydrophobicContact CB-CB 4.37Å; K184-Q238 PolarHBondContact N-O 2.89Å; K184-Q238 PolarHBondContact O-N 2.78Å; F186-Q238 HydrophobicContact CD2-CB 4.47Å; F186-Q238 HydrophobicContact CE2-CB 3.77Å; F186-Q238 VanDerWaalsContact CZ-OE1 3.3Å; Q238-S249 VanDerWaalsContact NE2-CB 3.28Å; Q238-S249 PolarHBondContact NE2-OG 3.3Å; Q238-I250 CarbonylContact C-O 3.58Å; Q238-I250 VanDerWaalsContact CA-O 3.31Å; Q238-I250 WeakPolarHBondContact CA-O 3.43Å; Q238-V251 HydrophobicContact CB-CG2 4.3Å; Q238-V251 HydrophobicContact CG-CG2 4.08Å
239	C	94.3	Very high	91.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.2	167.1	168	0	0	0	0	108.5	C171 W183 S249 I250 F252	C171-C239 HydrophobicContact CB-CB 3.62Å; C171-C239 WeakPolarHBondContact CB-SG 3.4Å; C171-C239 WeakPolarHBondContact SG-CB 3.03Å; C171-C239 CovalentContact SG-SG 2.04Å; C171-C239 PolarHBondContact SG-SG 2.8Å; W183-C239 HydrophobicContact CD2-CB 4.02Å; W183-C239 HydrophobicContact CE3-CB 3.85Å; W183-C239 HydrophobicContact CH2-CB 3.71Å; W183-C239 HydrophobicContact CZ2-CB 3.85Å; W183-C239 HydrophobicContact CZ3-CB 3.71Å; C239-S249 CarbonylContact O-C 3.52Å; C239-S249 WeakPolarHBondContact O-CA 3.49Å; C239-S249 WeakPolarHBondContact O-CB 3.3Å; C239-I250 HydrophobicContact CB-CG2 4.08Å; C239-I250 PolarHBondContact N-O 2.96Å; C239-I250 PolarHBondContact O-N 2.89Å; C239-F252 HydrophobicContact CB-CE2 4.25Å
240	T	94.7	Very high	92.1	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.3	-176.1	-54.4	0	0	0	0	109.8	V181 E182 T247	V181-T240 CarbonylContact C-O 3.35Å; V181-T240 VanDerWaalsContact CA-O 3.29Å; V181-T240 WeakPolarHBondContact CA-O 3.36Å; E182-T240 PolarHBondContact N-O 3.15Å; E182-T240 PolarHBondContact O-N 2.8Å; T240-T247 HydrophobicContact CG2-CG2 3.3Å
241	A	95	Very high	92.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	175.9	0	0	0	0	0	110.1	P149 V151 V173 P179 K180 V181 T247 S248	P149-A241 HydrophobicContact CB-CB 3.97Å; V151-A241 HydrophobicContact CG2-CB 3.51Å; V173-A241 HydrophobicContact CG1-CB 3.53Å; V173-A241 HydrophobicContact CG2-CB 4.31Å; P179-A241 HydrophobicContact CB-CB 4.05Å; P179-A241 HydrophobicContact CG-CB 4.27Å; K180-A241 CarbonylContact O-C 3.56Å; K180-A241 WeakPolarHBondContact O-CA 3.27Å; V181-A241 HydrophobicContact CG2-CB 4.2Å; A241-T247 CarbonylContact O-C 3.28Å; A241-T247 WeakPolarHBondContact O-CA 3.29Å; A241-S248 PolarHBondContact N-O 2.81Å; A241-S248 PolarHBondContact O-N 3.11Å
242	T	96.1	Very high	93.2	Very high	55 Å²	55	33 Å²	33	34%	0.337	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.5	-176	-56.7	0	0	0	0	111.5	P179 K180 G246 T247	P179-T242 CarbonylContact C-O 3.48Å; P179-T242 WeakPolarHBondContact CA-O 3.46Å; K180-T242 PolarHBondContact N-O 2.59Å; K180-T242 PolarHBondContact O-N 3.32Å; T242-G246 WeakPolarHBondContact CA-O 3.49Å; T242-T247 VanDerWaalsContact CG2-OG1 3.29Å; T242-T247 WeakPolarHBondContact CG2-OG1 3.5Å; T242-T247 WeakPolarHBondContact OG1-CG2 3.44Å; T242-T247 PolarHBondContact OG1-OG1 2.83Å
243	N	95.5	Very high	93.7	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	-178.8	168.5	77.7	-0.4	0	0	0	110	C147 P149 D176 P177 P179 A245 G246	C147-N243 PolarHBondContact O-ND2 2.89Å; P149-N243 WeakPolarHBondContact CD-OD1 3.36Å; P149-N243 HydrophobicContact CG-CB 4.19Å; D176-N243 PolarHBondContact O-ND2 3.35Å; P177-N243 PolarHBondContact O-ND2 2.85Å; P179-N243 HydrophobicContact CB-CB 4.15Å; N243-A245 PolarHBondContact O-N 3.11Å; N243-A245 VanDerWaalsContact O-N 3.14Å; N243-A245 WeakPolarHBondContact OD1-CB 3Å; N243-A245 PolarHBondContact OD1-N 2.97Å; N243-G246 PolarHBondContact N-O 3.05Å; N243-G246 PolarHBondContact O-N 3.32Å; N243-G246 VanDerWaalsContact O-O 3.08Å; N243-G246 PolarHBondContact OD1-N 2.92Å; N243-G246 PolarHBondContact OD1-O 3.11Å
244	P	95.8	Very high	94.1	Very high	50 Å²	50	31 Å²	31	33%	0.325	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	-177.9	-28.9	39.2	0	0	0	116	K131 E143 A146 P177	K131-P244 PolarHBondContact NZ-O 3.38Å; E143-P244 HydrophobicContact CB-CG 4.5Å; E143-P244 WeakPolarHBondContact O-CB 3.44Å; E143-P244 VanDerWaalsContact O-CG 3.31Å; E143-P244 WeakPolarHBondContact O-CG 3.47Å; A146-P244 HydrophobicContact CB-CB 4.03Å; P177-P244 HydrophobicContact CG-CG 4.22Å
245	A	95	Very high	94.2	Very high	44 Å²	44	31.5 Å²	31.5	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-27.5	174.7	0	0	0	0	0	112.7	A146 C147 N243	A146-A245 HydrophobicContact CB-CB 3.64Å; C147-A245 VanDerWaalsContact C-CB 3.42Å; N243-A245 PolarHBondContact O-N 3.11Å; N243-A245 VanDerWaalsContact O-N 3.14Å; N243-A245 WeakPolarHBondContact OD1-CB 3Å; N243-A245 PolarHBondContact OD1-N 2.97Å
246	G	95.3	Very high	94.2	Very high	25 Å²	25	34 Å²	34	26%	0.258	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-159.3	175.5	0	0	0	0	0	113.4	T242 N243	T242-G246 WeakPolarHBondContact CA-O 3.49Å; N243-G246 PolarHBondContact N-O 3.05Å; N243-G246 PolarHBondContact O-N 3.32Å; N243-G246 VanDerWaalsContact O-O 3.08Å; N243-G246 PolarHBondContact OD1-N 2.92Å; N243-G246 PolarHBondContact OD1-O 3.11Å
247	T	96.5	Very high	93.7	Very high	78 Å²	78	34.7 Å²	34.7	48%	0.479	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.9	-174.9	-60.4	0	0	0	0	110.1	T240 A241 T242	T240-T247 HydrophobicContact CG2-CG2 3.3Å; A241-T247 CarbonylContact O-C 3.28Å; A241-T247 WeakPolarHBondContact O-CA 3.29Å; T242-T247 VanDerWaalsContact CG2-OG1 3.29Å; T242-T247 WeakPolarHBondContact CG2-OG1 3.5Å; T242-T247 WeakPolarHBondContact OG1-CG2 3.44Å; T242-T247 PolarHBondContact OG1-OG1 2.83Å
248	S	97.2	Very high	92.7	Very high	28 Å²	28	38.6 Å²	38.6	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.7	170.1	-74.9	0	0	0	0	109.6	P149 A241	P149-S248 VanDerWaalsContact O-CB 3.27Å; P149-S248 WeakPolarHBondContact O-CB 3.34Å; P149-S248 PolarHBondContact O-OG 2.95Å; A241-S248 PolarHBondContact N-O 2.81Å; A241-S248 PolarHBondContact O-N 3.11Å
249	S	96.5	Very high	91.3	Very high	59 Å²	59	42 Å²	42	41%	0.413	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.2	-175.3	60.1	0	0	0	0	112.9	Q238 C239	Q238-S249 VanDerWaalsContact NE2-CB 3.28Å; Q238-S249 PolarHBondContact NE2-OG 3.3Å; C239-S249 CarbonylContact O-C 3.52Å; C239-S249 WeakPolarHBondContact O-CA 3.49Å; C239-S249 WeakPolarHBondContact O-CB 3.3Å
250	I	96.1	Very high	89.7	Confident	25 Å²	25	46.1 Å²	46.1	13%	0.128	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.2	171.4	-164.1	166.4	0	0	0	110.1	V151 A153 C171 Q238 C239 F252	V151-I250 HydrophobicContact CG1-CB 3.94Å; V151-I250 HydrophobicContact CG1-CG2 3.53Å; A153-I250 HydrophobicContact CB-CD1 3.64Å; C171-I250 HydrophobicContact CB-CG2 4.11Å; Q238-I250 CarbonylContact C-O 3.58Å; Q238-I250 VanDerWaalsContact CA-O 3.31Å; Q238-I250 WeakPolarHBondContact CA-O 3.43Å; C239-I250 HydrophobicContact CB-CG2 4.08Å; C239-I250 PolarHBondContact N-O 2.96Å; C239-I250 PolarHBondContact O-N 2.89Å; I250-F252 HydrophobicContact CG2-CD2 4.38Å; I250-F252 HydrophobicContact CG2-CE2 3.55Å; I250-F252 HydrophobicContact CG2-CZ 4.01Å
251	V	95.4	Very high	88	Confident	65 Å²	65	52 Å²	52	39%	0.394	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.7	-179.2	-177.3	0	0	0	0	109.9	L236 Y237 Q238	L236-V251 HydrophobicContact CB-CG1 4.02Å; L236-V251 HydrophobicContact CD2-CG1 4.01Å; L236-V251 HydrophobicContact CG-CG1 4.45Å; Y237-V251 CarbonylContact O-C 3.53Å; Y237-V251 WeakPolarHBondContact O-CA 3.39Å; Q238-V251 HydrophobicContact CB-CG2 4.3Å; Q238-V251 HydrophobicContact CG-CG2 4.08Å
252	F	94.7	Very high	86.7	Confident	1 Å²	1	57 Å²	57	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.9	171.5	-59.3	-95.8	0	0	0	108.7	A153 S155 S156 R157 L169 E170 C171 W183 L236 Y237 C239 I250	A153-F252 HydrophobicContact CB-CE1 4.05Å; A153-F252 HydrophobicContact CB-CZ 4.28Å; S155-F252 WeakPolarHBondContact OG-CE1 3Å; S156-F252 WeakPolarHBondContact O-CD1 3.4Å; R157-F252 CarbonylContact O-C 3.48Å; R157-F252 VanDerWaalsContact O-CA 3.28Å; R157-F252 WeakPolarHBondContact O-CA 3.48Å; L169-F252 HydrophobicContact CB-CD1 4.49Å; L169-F252 HydrophobicContact CB-CG 4.41Å; L169-F252 HydrophobicContact CD1-CB 3.84Å; L169-F252 HydrophobicContact CD1-CG 4.3Å; L169-F252 HydrophobicContact CD2-CB 4.05Å; L169-F252 HydrophobicContact CD2-CD1 4.15Å; L169-F252 HydrophobicContact CD2-CG 4.27Å; L169-F252 HydrophobicContact CG-CB 4.45Å; E170-F252 VanDerWaalsContact O-CZ 3.31Å; E170-F252 WeakPolarHBondContact O-CZ 3.08Å; C171-F252 HydrophobicContact CB-CE2 4.16Å; C171-F252 HydrophobicContact CB-CZ 4.15Å; W183-F252 AromaticContact CH2-CD2 3.88Å; W183-F252 HydrophobicContact CH2-CD2 3.88Å; W183-F252 AromaticContact CH2-CE2 3.58Å; W183-F252 HydrophobicContact CH2-CE2 3.58Å; W183-F252 HydrophobicContact CH2-CZ 4.33Å; W183-F252 AromaticContact CZ3-CD2 3.66Å; W183-F252 HydrophobicContact CZ3-CD2 3.66Å; W183-F252 AromaticContact CZ3-CE2 3.81Å; W183-F252 HydrophobicContact CZ3-CE2 3.81Å; L236-F252 CarbonylContact C-O 3.53Å; L236-F252 WeakPolarHBondContact CA-O 3.43Å; Y237-F252 PolarHBondContact N-O 3.18Å; Y237-F252 PolarHBondContact O-N 2.85Å; C239-F252 HydrophobicContact CB-CE2 4.25Å; I250-F252 HydrophobicContact CG2-CD2 4.38Å; I250-F252 HydrophobicContact CG2-CE2 3.55Å; I250-F252 HydrophobicContact CG2-CZ 4.01Å
253	Q	93.1	Very high	85.5	Confident	64 Å²	64	59.3 Å²	59.3	30%	0.299	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130	177.9	-177.4	178	0.8	0	0	109.8	R157 R158 E159 L236 S255	R157-Q253 PolarHBondContact O-N 3.23Å; R158-Q253 WeakPolarHBondContact CA-O 3.47Å; R158-Q253 HydrophobicContact CG-CB 4.29Å; E159-Q253 PolarHBondContact N-O 3.01Å; L236-Q253 HydrophobicContact CD2-CB 3.79Å; L236-Q253 HydrophobicContact CD2-CG 3.88Å; Q253-S255 PolarHBondContact NE2-OG 2.98Å; Q253-S255 VanDerWaalsContact NE2-OG 3.11Å
254	I	91	Very high	84.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119	169	-57.5	-174.2	0	0	0	107.8	V161 V167 L169 I226 L234 G235 Y237	V161-I254 HydrophobicContact CG2-CG2 3.35Å; V167-I254 HydrophobicContact CB-CD1 4.38Å; V167-I254 HydrophobicContact CG1-CD1 3.91Å; L169-I254 HydrophobicContact CD1-CD1 4.03Å; L169-I254 HydrophobicContact CD1-CG1 4.3Å; L169-I254 HydrophobicContact CD2-CD1 4.48Å; L169-I254 HydrophobicContact CD2-CG1 4.43Å; L169-I254 HydrophobicContact CG-CD1 4.39Å; I226-I254 HydrophobicContact CD1-CD1 3.49Å; I226-I254 VanDerWaalsContact CD1-CD1 3.49Å; L234-I254 HydrophobicContact CD2-CG2 3.81Å; G235-I254 PolarHBondContact N-O 2.76Å; G235-I254 VanDerWaalsContact N-O 3.11Å; G235-I254 PolarHBondContact O-N 2.98Å; Y237-I254 HydrophobicContact CD2-CD1 3.95Å; Y237-I254 HydrophobicContact CD2-CG1 3.96Å; Y237-I254 HydrophobicContact CE2-CB 4.19Å; Y237-I254 HydrophobicContact CE2-CD1 3.55Å; Y237-I254 HydrophobicContact CE2-CG1 3.86Å
255	S	89.6	Confident	83.7	Confident	25 Å²	25	62.5 Å²	62.5	18%	0.175	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.6	179	-67.8	0	0	0	0	110.3	E159 M160 V161 Q253	E159-S255 PolarHBondContact O-N 2.98Å; M160-S255 WeakPolarHBondContact CA-O 3.26Å; V161-S255 PolarHBondContact N-O 2.69Å; Q253-S255 PolarHBondContact NE2-OG 2.98Å; Q253-S255 VanDerWaalsContact NE2-OG 3.11Å
256	P	88	Confident	83.3	Confident	52 Å²	52	64.3 Å²	64.3	34%	0.338	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	148.6	172.4	29.1	-31	0	0	0	109.7	L234 D258	L234-P256 HydrophobicContact CD1-CB 4.13Å; L234-P256 HydrophobicContact CD1-CG 4.18Å; P256-D258 PolarHBondContact O-N 2.64Å
257	Q	83.5	Confident	83.1	Confident	87 Å²	87	66.5 Å²	66.5	41%	0.407	37%	0.372	S	S	.	.			trans	-66.4	117.5	168.8	-168	69.4	25.3	0	0	108.8	V161 D162 D259	V161-Q257 PolarHBondContact O-N 3.24Å; D162-Q257 WeakPolarHBondContact OD1-CB 3.42Å; Q257-D259 PolarHBondContact O-N 3.24Å
258	D	70.1	Confident	82.9	Confident	89 Å²	89	67 Å²	67	48%	0.476	38%	0.375	S	S	.	.			trans	-75.1	97.5	178.9	-76	-35.5	0	0	0	110.6	P256 V260 M261	P256-D258 PolarHBondContact O-N 2.64Å; D258-V260 HydrophobicContact CB-CB 4.38Å; D258-V260 HydrophobicContact CB-CG2 4.47Å; D258-V260 PolarHBondContact O-N 3.01Å; D258-M261 PolarHBondContact O-N 3.05Å
259	D	63	Low	82.8	Confident	112 Å²	112	69.9 Å²	69.9	60%	0.599	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-12.8	164.1	-78.2	-28.4	0	0	0	112.4	Q257 M261 L262 I263	Q257-D259 PolarHBondContact O-N 3.24Å; D259-M261 PolarHBondContact O-N 3.25Å; D259-L262 WeakPolarHBondContact O-CA 3.36Å; D259-L262 WeakPolarHBondContact O-CB 3.47Å; D259-L262 PolarHBondContact O-N 3.06Å; D259-I263 PolarHBondContact O-N 3.35Å
260	V	61.3	Low	82.8	Confident	86 Å²	86	71.4 Å²	71.4	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-32	175.4	-169.8	0	0	0	0	111.3	D258 L262 I263 T264	D258-V260 HydrophobicContact CB-CB 4.38Å; D258-V260 HydrophobicContact CB-CG2 4.47Å; D258-V260 PolarHBondContact O-N 3.01Å; V260-L262 VanDerWaalsContact C-N 3.3Å; V260-L262 PolarHBondContact O-N 2.96Å; V260-I263 PolarHBondContact O-N 2.98Å; V260-T264 HydrophobicContact CG1-CG2 4.03Å; V260-T264 WeakPolarHBondContact O-CB 3.37Å; V260-T264 VanDerWaalsContact O-CG2 3.24Å; V260-T264 WeakPolarHBondContact O-CG2 3.33Å; V260-T264 PolarHBondContact O-N 3.3Å; V260-T264 PolarHBondContact O-OG1 3.17Å
261	M	59.5	Low	82.7	Confident	132 Å²	132	74.6 Å²	74.6	65%	0.65	41%	0.406	S	S	*	.	H	α-helix	trans	-63.5	-39.1	172.6	-76.5	-64.3	-73.6	0	0	111.2	D258 D259 T264 V265	D258-M261 PolarHBondContact O-N 3.05Å; D259-M261 PolarHBondContact O-N 3.25Å; M261-T264 WeakPolarHBondContact CA-OG1 3.24Å; M261-T264 PolarHBondContact O-OG1 2.8Å; M261-V265 VanDerWaalsContact O-CB 3.28Å; M261-V265 WeakPolarHBondContact O-CB 3.24Å; M261-V265 WeakPolarHBondContact O-CG2 3.45Å; M261-V265 PolarHBondContact O-N 3.3Å
262	L	66.6	Low	82.8	Confident	106 Å²	106	75.3 Å²	75.3	56%	0.555	41%	0.41	S	S	*	.	H	α-helix	trans	-68.5	-43.6	176.4	-170.3	67.9	0	0	0	111.3	D259 V260 V265 I266	D259-L262 WeakPolarHBondContact O-CA 3.36Å; D259-L262 WeakPolarHBondContact O-CB 3.47Å; D259-L262 PolarHBondContact O-N 3.06Å; V260-L262 VanDerWaalsContact C-N 3.3Å; V260-L262 PolarHBondContact O-N 2.96Å; L262-V265 PolarHBondContact O-N 3.28Å; L262-I266 HydrophobicContact CG-CD1 4.02Å; L262-I266 WeakPolarHBondContact O-CB 3.2Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 3.37Å
263	I	71.1	Confident	82.8	Confident	102 Å²	102	79.5 Å²	79.5	52%	0.523	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-44.3	178.2	-63.3	169.9	0	0	0	110.8	D259 V260 I266 V267	D259-I263 PolarHBondContact O-N 3.35Å; V260-I263 PolarHBondContact O-N 2.98Å; I263-I266 PolarHBondContact O-N 3.46Å; I263-V267 HydrophobicContact CG2-CG2 4.34Å; I263-V267 WeakPolarHBondContact O-CB 3.1Å; I263-V267 VanDerWaalsContact O-CG2 3.24Å; I263-V267 WeakPolarHBondContact O-CG2 3.28Å; I263-V267 PolarHBondContact O-N 2.76Å
264	T	73.8	Confident	83	Confident	61 Å²	61	80.7 Å²	80.7	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-65.4	-40.6	177.7	51.9	0	0	0	0	111.5	V260 M261 V267 V268	V260-T264 HydrophobicContact CG1-CG2 4.03Å; V260-T264 WeakPolarHBondContact O-CB 3.37Å; V260-T264 VanDerWaalsContact O-CG2 3.24Å; V260-T264 WeakPolarHBondContact O-CG2 3.33Å; V260-T264 PolarHBondContact O-N 3.3Å; V260-T264 PolarHBondContact O-OG1 3.17Å; M261-T264 WeakPolarHBondContact CA-OG1 3.24Å; M261-T264 PolarHBondContact O-OG1 2.8Å; T264-V267 PolarHBondContact O-N 3.07Å; T264-V268 WeakPolarHBondContact O-CB 3.23Å; T264-V268 VanDerWaalsContact O-CG2 3.23Å; T264-V268 WeakPolarHBondContact O-CG2 3.33Å; T264-V268 PolarHBondContact O-N 3.25Å
265	V	80.7	Confident	83.2	Confident	72 Å²	72	85.6 Å²	85.6	44%	0.436	47%	0.468	S	S	.	.	H	α-helix	trans	-61.8	-44.2	173	169.5	0	0	0	0	111.1	M261 L262 V268 I269	M261-V265 VanDerWaalsContact O-CB 3.28Å; M261-V265 WeakPolarHBondContact O-CB 3.24Å; M261-V265 WeakPolarHBondContact O-CG2 3.45Å; M261-V265 PolarHBondContact O-N 3.3Å; L262-V265 PolarHBondContact O-N 3.28Å; V265-V268 PolarHBondContact O-N 2.95Å; V265-I269 HydrophobicContact CG1-CD1 3.8Å; V265-I269 HydrophobicContact CG1-CG1 4.45Å; V265-I269 VanDerWaalsContact O-CG1 3.25Å; V265-I269 WeakPolarHBondContact O-CG1 3.31Å; V265-I269 PolarHBondContact O-N 2.92Å
266	I	86.9	Confident	83.4	Confident	81 Å²	81	88 Å²	88	42%	0.415	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-44.9	175.8	-69.9	165.6	0	0	0	110.9	L262 I263 V268 I269 I270	L262-I266 HydrophobicContact CG-CD1 4.02Å; L262-I266 WeakPolarHBondContact O-CB 3.2Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 3.37Å; I263-I266 PolarHBondContact O-N 3.46Å; I266-V268 VanDerWaalsContact C-N 3.34Å; I266-V268 PolarHBondContact O-N 2.88Å; I266-I269 PolarHBondContact O-N 3.31Å; I266-I270 HydrophobicContact CG2-CD1 3.79Å; I266-I270 HydrophobicContact CG2-CG1 4.4Å; I266-I270 VanDerWaalsContact O-CG1 3.28Å; I266-I270 WeakPolarHBondContact O-CG1 3.45Å; I266-I270 PolarHBondContact O-N 2.84Å
267	V	90.6	Very high	83.7	Confident	72 Å²	72	90 Å²	90	44%	0.436	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-42.9	177.4	169.7	0	0	0	0	110.8	I263 T264 I270 I271	I263-V267 HydrophobicContact CG2-CG2 4.34Å; I263-V267 WeakPolarHBondContact O-CB 3.1Å; I263-V267 VanDerWaalsContact O-CG2 3.24Å; I263-V267 WeakPolarHBondContact O-CG2 3.28Å; I263-V267 PolarHBondContact O-N 2.76Å; T264-V267 PolarHBondContact O-N 3.07Å; V267-I270 PolarHBondContact O-N 3.3Å; V267-I271 HydrophobicContact CG1-CD1 3.88Å; V267-I271 VanDerWaalsContact O-CG1 3.27Å; V267-I271 WeakPolarHBondContact O-CG1 3.27Å; V267-I271 PolarHBondContact O-N 3.41Å
268	V	92	Very high	84	Confident	87 Å²	87	88.5 Å²	88.5	53%	0.527	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-44.1	175.5	170.9	0	0	0	0	111	T264 V265 I266 I270 I271 V272	T264-V268 WeakPolarHBondContact O-CB 3.23Å; T264-V268 VanDerWaalsContact O-CG2 3.23Å; T264-V268 WeakPolarHBondContact O-CG2 3.33Å; T264-V268 PolarHBondContact O-N 3.25Å; V265-V268 PolarHBondContact O-N 2.95Å; I266-V268 VanDerWaalsContact C-N 3.34Å; I266-V268 PolarHBondContact O-N 2.88Å; V268-I270 VanDerWaalsContact C-N 3.34Å; V268-I270 PolarHBondContact O-N 3.02Å; V268-I271 PolarHBondContact O-N 2.86Å; V268-V272 WeakPolarHBondContact O-CG2 3.25Å; V268-V272 PolarHBondContact O-N 3.32Å
269	I	94.8	Very high	84.9	Confident	89 Å²	89	86.4 Å²	86.4	46%	0.456	48%	0.483	S	S	.	.	H	α-helix	trans	-60	-44.5	175.6	-70.1	166.1	0	0	0	110.8	V265 I266 I271 V272 I273	V265-I269 HydrophobicContact CG1-CD1 3.8Å; V265-I269 HydrophobicContact CG1-CG1 4.45Å; V265-I269 VanDerWaalsContact O-CG1 3.25Å; V265-I269 WeakPolarHBondContact O-CG1 3.31Å; V265-I269 PolarHBondContact O-N 2.92Å; I266-I269 PolarHBondContact O-N 3.31Å; I269-I271 PolarHBondContact O-N 3.47Å; I269-V272 PolarHBondContact O-N 3.25Å; I269-I273 HydrophobicContact CG2-CD1 3.8Å; I269-I273 HydrophobicContact CG2-CG1 4.43Å; I269-I273 VanDerWaalsContact O-CG1 3.3Å; I269-I273 WeakPolarHBondContact O-CG1 3.28Å; I269-I273 PolarHBondContact O-N 2.88Å
270	I	95.8	Very high	86.1	Confident	92 Å²	92	85.1 Å²	85.1	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-61.8	-44.8	177.2	-69.3	167.6	0	0	0	110.6	I266 V267 V268 V272 I273 V274	I266-I270 HydrophobicContact CG2-CD1 3.79Å; I266-I270 HydrophobicContact CG2-CG1 4.4Å; I266-I270 VanDerWaalsContact O-CG1 3.28Å; I266-I270 WeakPolarHBondContact O-CG1 3.45Å; I266-I270 PolarHBondContact O-N 2.84Å; V267-I270 PolarHBondContact O-N 3.3Å; V268-I270 VanDerWaalsContact C-N 3.34Å; V268-I270 PolarHBondContact O-N 3.02Å; I270-V272 VanDerWaalsContact C-N 3.33Å; I270-V272 PolarHBondContact O-N 3.45Å; I270-I273 PolarHBondContact O-N 2.93Å; I270-V274 HydrophobicContact CG2-CG2 4.38Å; I270-V274 VanDerWaalsContact O-CG2 3.31Å; I270-V274 WeakPolarHBondContact O-CG2 3.3Å; I270-V274 PolarHBondContact O-N 3.26Å
271	I	95.9	Very high	87.4	Confident	92 Å²	92	84.5 Å²	84.5	47%	0.472	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-44.7	177.1	-69.7	166.2	0	0	0	110.6	V267 V268 I269 I273 V274 I275	V267-I271 HydrophobicContact CG1-CD1 3.88Å; V267-I271 VanDerWaalsContact O-CG1 3.27Å; V267-I271 WeakPolarHBondContact O-CG1 3.27Å; V267-I271 PolarHBondContact O-N 3.41Å; V268-I271 PolarHBondContact O-N 2.86Å; I269-I271 PolarHBondContact O-N 3.47Å; I271-I273 PolarHBondContact O-N 3.32Å; I271-V274 PolarHBondContact O-N 2.89Å; I271-I275 HydrophobicContact CG2-CD1 3.83Å; I271-I275 HydrophobicContact CG2-CG1 4.49Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.28Å; I271-I275 PolarHBondContact O-N 3.29Å
272	V	96	Very high	88.5	Confident	79 Å²	79	83.8 Å²	83.8	48%	0.479	47%	0.469	S	S	.	.	H	α-helix	trans	-61.6	-44.8	176.9	172.3	0	0	0	0	111.1	V268 I269 I270 V274 I275 V276	V268-V272 WeakPolarHBondContact O-CG2 3.25Å; V268-V272 PolarHBondContact O-N 3.32Å; I269-V272 PolarHBondContact O-N 3.25Å; I270-V272 VanDerWaalsContact C-N 3.33Å; I270-V272 PolarHBondContact O-N 3.45Å; V272-V274 VanDerWaalsContact C-N 3.35Å; V272-V274 PolarHBondContact O-N 3.25Å; V272-I275 PolarHBondContact O-N 2.94Å; V272-V276 HydrophobicContact CG1-CG2 4.46Å; V272-V276 WeakPolarHBondContact O-CG2 3.33Å; V272-V276 PolarHBondContact O-N 2.88Å
273	I	96.2	Very high	88.9	Confident	90 Å²	90	83.8 Å²	83.8	46%	0.462	48%	0.477	S	S	.	.	H	α-helix	trans	-60.5	-44.6	176.7	-70.4	168.6	0	0	0	110.9	I269 I270 I271 I275 V276 I277	I269-I273 HydrophobicContact CG2-CD1 3.8Å; I269-I273 HydrophobicContact CG2-CG1 4.43Å; I269-I273 VanDerWaalsContact O-CG1 3.3Å; I269-I273 WeakPolarHBondContact O-CG1 3.28Å; I269-I273 PolarHBondContact O-N 2.88Å; I270-I273 PolarHBondContact O-N 2.93Å; I271-I273 PolarHBondContact O-N 3.32Å; I273-I275 VanDerWaalsContact C-N 3.33Å; I273-I275 PolarHBondContact O-N 3.45Å; I273-V276 PolarHBondContact O-N 3.5Å; I273-I277 HydrophobicContact CG2-CD1 3.67Å; I273-I277 HydrophobicContact CG2-CG1 4.31Å; I273-I277 VanDerWaalsContact O-CG1 3.32Å; I273-I277 WeakPolarHBondContact O-CG1 3.46Å; I273-I277 PolarHBondContact O-N 3.49Å
274	V	96	Very high	89	Confident	88 Å²	88	86.9 Å²	86.9	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-42	177.6	171.2	0	0	0	0	111.1	I270 I271 V272 I277 S278	I270-V274 HydrophobicContact CG2-CG2 4.38Å; I270-V274 VanDerWaalsContact O-CG2 3.31Å; I270-V274 WeakPolarHBondContact O-CG2 3.3Å; I270-V274 PolarHBondContact O-N 3.26Å; I271-V274 PolarHBondContact O-N 2.89Å; V272-V274 VanDerWaalsContact C-N 3.35Å; V272-V274 PolarHBondContact O-N 3.25Å; V274-I277 PolarHBondContact O-N 2.92Å; V274-S278 WeakPolarHBondContact O-CB 3.32Å; V274-S278 PolarHBondContact O-N 3.44Å; V274-S278 PolarHBondContact O-OG 2.91Å
275	I	95.2	Very high	88.4	Confident	103 Å²	103	93 Å²	93	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-46.9	175.9	-68.8	166.5	0	0	0	110.3	I271 V272 I273 S278 A279	I271-I275 HydrophobicContact CG2-CD1 3.83Å; I271-I275 HydrophobicContact CG2-CG1 4.49Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.28Å; I271-I275 PolarHBondContact O-N 3.29Å; V272-I275 PolarHBondContact O-N 2.94Å; I273-I275 VanDerWaalsContact C-N 3.33Å; I273-I275 PolarHBondContact O-N 3.45Å; I275-S278 PolarHBondContact O-N 2.87Å; I275-S278 PolarHBondContact O-OG 3.26Å; I275-A279 PolarHBondContact O-N 2.96Å
276	V	95	Very high	87.1	Confident	76 Å²	76	97.9 Å²	97.9	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-61.9	-46	178.7	172.6	0	0	0	0	111.4	V272 I273 S278 A279 I280	V272-V276 HydrophobicContact CG1-CG2 4.46Å; V272-V276 WeakPolarHBondContact O-CG2 3.33Å; V272-V276 PolarHBondContact O-N 2.88Å; I273-V276 PolarHBondContact O-N 3.5Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.25Å; V276-A279 PolarHBondContact O-N 3.29Å; V276-I280 HydrophobicContact CG1-CD1 3.93Å; V276-I280 VanDerWaalsContact O-CG1 3.29Å; V276-I280 WeakPolarHBondContact O-CG1 3.33Å; V276-I280 PolarHBondContact O-N 3.46Å
277	I	93.8	Very high	85.3	Confident	93 Å²	93	99.4 Å²	99.4	48%	0.477	54%	0.536	S	S	.	.	H	α-helix	trans	-62.5	-41.8	176.7	-67.3	170.4	0	0	0	110.6	I273 V274 A279 I280 V281	I273-I277 HydrophobicContact CG2-CD1 3.67Å; I273-I277 HydrophobicContact CG2-CG1 4.31Å; I273-I277 VanDerWaalsContact O-CG1 3.32Å; I273-I277 WeakPolarHBondContact O-CG1 3.46Å; I273-I277 PolarHBondContact O-N 3.49Å; V274-I277 PolarHBondContact O-N 2.92Å; I277-A279 VanDerWaalsContact C-N 3.35Å; I277-A279 PolarHBondContact O-N 3.45Å; I277-I280 WeakPolarHBondContact O-CB 3.24Å; I277-I280 PolarHBondContact O-N 2.88Å; I277-V281 HydrophobicContact CG2-CG2 4.36Å; I277-V281 WeakPolarHBondContact O-CG2 3.29Å; I277-V281 PolarHBondContact O-N 3.38Å
278	S	90.1	Very high	83.5	Confident	56 Å²	56	101 Å²	101	39%	0.392	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-40.2	178	75.4	0	0	0	0	112.2	V274 I275 V276 V281 I282	V274-S278 WeakPolarHBondContact O-CB 3.32Å; V274-S278 PolarHBondContact O-N 3.44Å; V274-S278 PolarHBondContact O-OG 2.91Å; I275-S278 PolarHBondContact O-N 2.87Å; I275-S278 PolarHBondContact O-OG 3.26Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.25Å; S278-V281 PolarHBondContact O-N 2.71Å; S278-I282 WeakPolarHBondContact O-CD1 3.48Å; S278-I282 VanDerWaalsContact O-CG1 3.24Å; S278-I282 WeakPolarHBondContact O-CG1 3.34Å; S278-I282 PolarHBondContact O-N 2.88Å
279	A	88.4	Confident	81.2	Confident	46 Å²	46	102.8 Å²	102.8	38%	0.38	56%	0.564	S	S	.	*	H	α-helix	trans	-63.7	-43.8	174.9	0	0	0	0	0	111.2	I275 V276 I277 V281 I282 C283	I275-A279 PolarHBondContact O-N 2.96Å; V276-A279 PolarHBondContact O-N 3.29Å; I277-A279 VanDerWaalsContact C-N 3.35Å; I277-A279 PolarHBondContact O-N 3.45Å; A279-V281 PolarHBondContact O-N 3.25Å; A279-I282 PolarHBondContact O-N 3.28Å; A279-C283 WeakPolarHBondContact O-CB 3.5Å; A279-C283 PolarHBondContact O-N 3.3Å; A279-C283 PolarHBondContact O-SG 3.45Å
280	I	89.4	Confident	78.7	Confident	84 Å²	84	108.2 Å²	108.2	43%	0.431	58%	0.584	S	S	.	*	H	α-helix	trans	-57.3	-50.2	173.5	-71.8	169.9	0	0	0	110.3	V276 I277 I282 C283 F284	V276-I280 HydrophobicContact CG1-CD1 3.93Å; V276-I280 VanDerWaalsContact O-CG1 3.29Å; V276-I280 WeakPolarHBondContact O-CG1 3.33Å; V276-I280 PolarHBondContact O-N 3.46Å; I277-I280 WeakPolarHBondContact O-CB 3.24Å; I277-I280 PolarHBondContact O-N 2.88Å; I280-I282 VanDerWaalsContact C-N 3.29Å; I280-I282 PolarHBondContact O-N 3.47Å; I280-C283 PolarHBondContact O-N 2.94Å; I280-C283 VanDerWaalsContact O-N 3.1Å; I280-F284 HydrophobicContact CG2-CD2 3.56Å; I280-F284 HydrophobicContact CG2-CE2 3.73Å; I280-F284 WeakPolarHBondContact O-CD2 3.19Å; I280-F284 PolarHBondContact O-N 3.24Å
281	V	86.5	Confident	76	Confident	73 Å²	73	114.6 Å²	114.6	44%	0.442	60%	0.604	S	S	.	*	H	α-helix	trans	-61.8	-36.1	179	172.3	0	0	0	0	112.1	I277 S278 A279 R285	I277-V281 HydrophobicContact CG2-CG2 4.36Å; I277-V281 WeakPolarHBondContact O-CG2 3.29Å; I277-V281 PolarHBondContact O-N 3.38Å; S278-V281 PolarHBondContact O-N 2.71Å; A279-V281 PolarHBondContact O-N 3.25Å; V281-R285 WeakPolarHBondContact O-CB 3.49Å; V281-R285 PolarHBondContact O-N 3.43Å
282	I	82.9	Confident	73.4	Confident	118 Å²	118	115.9 Å²	115.9	61%	0.605	61%	0.612	S	S	*	*	H	α-helix	trans	-67.6	-40.9	174.4	-68.3	163.8	0	0	0	110.8	S278 A279 I280 R285	S278-I282 WeakPolarHBondContact O-CD1 3.48Å; S278-I282 VanDerWaalsContact O-CG1 3.24Å; S278-I282 WeakPolarHBondContact O-CG1 3.34Å; S278-I282 PolarHBondContact O-N 2.88Å; A279-I282 PolarHBondContact O-N 3.28Å; I280-I282 VanDerWaalsContact C-N 3.29Å; I280-I282 PolarHBondContact O-N 3.47Å; I282-R285 PolarHBondContact O-N 3.33Å
283	C	76.7	Confident	70.7	Confident	106 Å²	106	117.3 Å²	117.3	72%	0.716	63%	0.625	S	S	*	*	H	α-helix	trans	-68.4	-32.8	176.5	-69	0	0	0	0	113.1	A279 I280	A279-C283 WeakPolarHBondContact O-CB 3.5Å; A279-C283 PolarHBondContact O-N 3.3Å; A279-C283 PolarHBondContact O-SG 3.45Å; I280-C283 PolarHBondContact O-N 2.94Å; I280-C283 VanDerWaalsContact O-N 3.1Å
284	F	71.5	Confident	68.2	Low	166 Å²	166	120.1 Å²	120.1	73%	0.728	63%	0.634	S	S	*	*	H	α-helix	trans	-89.5	-7.6	176.8	-74.8	-73.2	0	0	0	113.9	I280 H286	I280-F284 HydrophobicContact CG2-CD2 3.56Å; I280-F284 HydrophobicContact CG2-CE2 3.73Å; I280-F284 WeakPolarHBondContact O-CD2 3.19Å; I280-F284 PolarHBondContact O-N 3.24Å; F284-H286 VanDerWaalsContact C-N 3.34Å; F284-H286 PolarHBondContact O-N 2.93Å
285	R	61.7	Low	65.4	Low	191 Å²	191	121.1 Å²	121.1	72%	0.721	65%	0.645	S	S	*	*	S	Bend	trans	-73.2	93.2	162.7	-91.2	-173.4	170.6	156.9	-0.4	108.4	V281 I282	V281-R285 WeakPolarHBondContact O-CB 3.49Å; V281-R285 PolarHBondContact O-N 3.43Å; I282-R285 PolarHBondContact O-N 3.33Å
286	H	53	Low	62.6	Low	173 Å²	173	123.9 Å²	123.9	80%	0.801	66%	0.66	S	S	*	*			trans	-44	129.4	163.5	-98.6	-84.2	0	0	0	109.7	F284 S288	F284-H286 VanDerWaalsContact C-N 3.34Å; F284-H286 PolarHBondContact O-N 2.93Å; H286-S288 PolarHBondContact O-N 2.92Å
287	P	50.6	Low	60	Low	114 Å²	114	128.1 Å²	128.1	74%	0.74	67%	0.672	S	S	*	*			trans	-60.8	116.3	169.9	24.8	-29.1	0	0	0	106.8
288	S	51.2	Low	57.4	Low	105 Å²	105	129.8 Å²	129.8	73%	0.734	69%	0.687	S	S	*	*			trans	-50.2	131.9	162.2	-51	0	0	0	0	106.8	H286 K290	H286-S288 PolarHBondContact O-N 2.92Å; S288-K290 PolarHBondContact O-N 3.32Å
289	P	44.8	Very low	54.7	Low	124 Å²	124	136.1 Å²	136.1	81%	0.805	70%	0.703	S	S	*	*			trans	-57.9	112.5	-177	23.3	-31.2	0	0	0	107.3	Y291	P289-Y291 PolarHBondContact O-N 3.49Å
290	K	42.5	Very low	52.1	Low	203 Å²	203	140.3 Å²	140.3	88%	0.883	73%	0.727	S	S	*	*			trans	-58.3	115.3	165.5	-77.8	-175.6	176.9	179.1	0	105	S288 D292	S288-K290 PolarHBondContact O-N 3.32Å; K290-D292 PolarHBondContact O-N 3.27Å
291	Y	38.8	Very low	49.7	Very low	227 Å²	227	142 Å²	142	89%	0.89	75%	0.746	S	S	*	*			trans	-52.5	104.4	172.9	-157.6	-94	0	0	0	107.2	P289 S293	P289-Y291 PolarHBondContact O-N 3.49Å; Y291-S293 PolarHBondContact O-N 2.89Å
292	D	40.4	Very low	47.1	Very low	119 Å²	119	148.3 Å²	148.3	64%	0.636	77%	0.767	S	S	*	*			trans	-69.4	99.4	178.9	-161.9	17.7	0	0	0	105.8	K290 K294	K290-D292 PolarHBondContact O-N 3.27Å; D292-K294 PolarHBondContact O-N 2.87Å; D292-K294 WeakPolarHBondContact OD2-CE 3.39Å
293	S	41.1	Very low	44.8	Very low	109 Å²	109	152.2 Å²	152.2	76%	0.762	78%	0.783	S	S	*	*			trans	-69.1	70.6	172.3	63	0	0	0	0	108.4	Y291 S295	Y291-S293 PolarHBondContact O-N 2.89Å; S293-S295 PolarHBondContact O-N 3.02Å
294	K	41.7	Very low	42.8	Very low	149 Å²	149	155.1 Å²	155.1	65%	0.648	79%	0.788	S	S	*	*			trans	-63.5	103.9	167.3	-81.5	-176.7	179.6	175.5	0	107.4	D292 L296	D292-K294 PolarHBondContact O-N 2.87Å; D292-K294 WeakPolarHBondContact OD2-CE 3.39Å; K294-L296 PolarHBondContact O-N 3.01Å
295	S	38.9	Very low	41	Very low	109 Å²	109	154.9 Å²	154.9	76%	0.762	80%	0.795	S	S	*	*			trans	38.4	63.1	133.9	63	0	0	0	0	115.1	S293 K297	S293-S295 PolarHBondContact O-N 3.02Å; S295-K297 PolarHBondContact O-N 3.1Å
296	L	36.6	Very low	39.8	Very low	160 Å²	160	149.6 Å²	149.6	84%	0.838	80%	0.799	S	S	*	*			trans	-89.1	91.3	161.2	-111.8	90.1	0	0	0	108.2	K294 T298	K294-L296 PolarHBondContact O-N 3.01Å; L296-T298 PolarHBondContact O-N 3.42Å
297	K	40.1	Very low	38.8	Very low	166 Å²	166	149.8 Å²	149.8	72%	0.722	81%	0.806	S	S	*	*			trans	-67.9	104.7	158.5	-84.7	179.4	175.2	176.2	0	107.5	S295 Y299	S295-K297 PolarHBondContact O-N 3.1Å; K297-Y299 HydrophobicContact CB-CD2 4.49Å; K297-Y299 HydrophobicContact CB-CE2 3.9Å; K297-Y299 PolarHBondContact O-N 3.02Å
298	T	38	Very low	38.1	Very low	128 Å²	128	147.8 Å²	147.8	79%	0.785	81%	0.806	S	S	*	*			trans	-67	121.3	168.3	42.7	0	0	0	0	109.9	L296	L296-T298 PolarHBondContact O-N 3.42Å
299	Y	35	Very low	37.4	Very low	188 Å²	188	154 Å²	154	74%	0.737	82%	0.815	S	S	*	*			trans	-111.3	127.5	162.4	-67.6	-86.5	0	0	0	108.1	K297	K297-Y299 HydrophobicContact CB-CD2 4.49Å; K297-Y299 HydrophobicContact CB-CE2 3.9Å; K297-Y299 PolarHBondContact O-N 3.02Å
300	P	33.4	Very low	36.7	Very low	134 Å²	134	156.2 Å²	156.2	87%	0.87	82%	0.819	S	S	*	*			trans	-82.4	121.2	-179.4	30.7	-29.7	0	0	0	110.1
301	S	37.7	Very low	36.2	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	81%	0.81	S	S	*	*			trans	-120.9	124.4	157	68.7	0	0	0	0	109.7
302	K	32.2	Very low	35.9	Very low	207 Å²	207	146.3 Å²	146.3	90%	0.9	81%	0.807	S	S	*	*			trans	-76.8	133.7	170.2	-93.4	176.8	170.6	176.4	0	108.1
303	Q	35.3	Very low	35.5	Very low	199 Å²	199	146.3 Å²	146.3	93%	0.93	81%	0.812	S	S	*	*				-161.4	150.8	126.3	-111.6	173.9	6.9	0	0	114.1
304	M	33.4	Very low	35.2	Very low	168 Å²	168	145.8 Å²	145.8	83%	0.828	81%	0.814	S	S	*	*			trans	-67.2	147.7	178.3	-72.1	159.8	115.3	0	0	111.8
305	N	34.9	Very low	34.9	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	82%	0.817	S	S	*	*	S	Bend	trans	66.8	119.4	157.2	-61.4	-9.2	0	0	0	118
306	G	37	Very low	34.6	Very low	79 Å²	79	148.2 Å²	148.2	81%	0.814	82%	0.821	S	S	*	*			trans	112.1	119.2	148.7	0	0	0	0	0	114.8
307	N	32	Very low	34.5	Very low	178 Å²	178	146.5 Å²	146.5	95%	0.952	81%	0.812	S	S	*	*			trans	-55	137.2	178.5	-61.1	-27.7	0	0	0	113.2
308	G	35.1	Very low	34	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	81%	0.807	S	S	*	*			trans	158.8	99.2	164.5	0	0	0	0	0	112.6
309	Y	37.6	Very low	33.5	Very low	236 Å²	236	141.8 Å²	141.8	93%	0.925	81%	0.809	S	S	*	*			trans	-87.2	120.3	164.3	-63.6	-80.1	0	0	0	108.4	A311	Y309-A311 PolarHBondContact O-N 2.87Å
310	L	30.1	Very low	33.2	Very low	170 Å²	170	144.7 Å²	144.7	89%	0.89	82%	0.819	S	S	*	*			trans	-72.6	109.4	165.5	-109.3	125.3	0	0	0	108.1
311	A	30.2	Very low	33	Very low	84 Å²	84	146.4 Å²	146.4	69%	0.694	82%	0.815	S	S	*	*			trans	-70.8	123.8	165.2	0	0	0	0	0	108.9	Y309	Y309-A311 PolarHBondContact O-N 2.87Å
312	V	33.8	Very low	32.5	Very low	138 Å²	138	147.8 Å²	147.8	84%	0.836	81%	0.813	S	S	*	*			trans	-98	103.8	156.3	-178.4	0	0	0	0	106.1	A314	V312-A314 PolarHBondContact O-N 2.99Å
313	V	31.4	Very low	32.2	Very low	120 Å²	120	146 Å²	146	73%	0.727	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.4	117	170.1	177.4	0	0	0	0	107.2
314	A	34.4	Very low	31.8	Very low	98 Å²	98	140.7 Å²	140.7	81%	0.81	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-96.4	120	152.3	0	0	0	0	0	106.4	V312	V312-A314 PolarHBondContact O-N 2.99Å
315	Q	35.4	Very low	31.6	Very low	150 Å²	150	141 Å²	141	70%	0.701	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67	127	-170.7	-167.7	164.5	-30.5	0	0	111	D317	Q315-D317 PolarHBondContact NE2-OD2 2.88Å
316	D	32.4	Very low	31.3	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	80%	0.795	S	S	*	*			trans	-93.5	90.5	171	-160.3	19.2	0	0	0	106.9
317	D	34.3	Very low	31	Very low	123 Å²	123	140.6 Å²	140.6	66%	0.658	79%	0.794	S	S	*	*			trans	-101.5	111.9	167.1	-74.5	-22.5	0	0	0	107.5	Q315	Q315-D317 PolarHBondContact NE2-OD2 2.88Å
318	G	30	Very low	30.9	Very low	60 Å²	60	138.2 Å²	138.2	62%	0.619	78%	0.782	S	S	*	*			trans	-61.8	150.7	-174.5	0	0	0	0	0	113.9
319	T	27.8	Very low	30.6	Very low	135 Å²	135	145 Å²	145	83%	0.828	79%	0.786	S	S	*	*			trans	163.6	114.6	137.2	34.2	0	0	0	0	107.7
320	R	28.6	Very low	30.3	Very low	249 Å²	249	137.5 Å²	137.5	94%	0.94	78%	0.782	S	S	*	*			trans	-138.2	83.1	152.3	-132.2	177.6	-173.4	177.9	1.8	108.9
321	H	30.4	Very low	30.2	Very low	170 Å²	170	136 Å²	136	79%	0.787	77%	0.77	S	S	*	*			trans	-62.1	154.3	148.3	-91.7	-67.4	0	0	0	109.9
322	D	26.2	Very low	29.8	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	78%	0.779	S	S	*	*	S	Bend	trans	-45	156.4	160.6	-68.3	-56.1	0	0	0	113.6
323	L	26.5	Very low	29.5	Very low	169 Å²	169	142 Å²	142	89%	0.885	78%	0.778	S	S	*	*			trans	103.1	105.9	163.2	-65.4	154.5	0	0	0	117.9
324	A	26.3	Very low	29.3	Very low	88 Å²	88	142 Å²	142	73%	0.727	78%	0.778	S	S	*	*			trans	65.3	112	131.5	0	0	0	0	0	119.4
325	I	29.3	Very low	29.1	Very low	176 Å²	176	143.5 Å²	143.5	90%	0.903	78%	0.78	S	S	*	*			trans	-112.1	114.2	135.4	-67.3	177.9	0	0	0	107.2
326	D	28.3	Very low	28.8	Very low	115 Å²	115	141.6 Å²	141.6	62%	0.615	78%	0.778	S	S	*	*			trans	-58.1	136.2	162.9	-174.7	4.9	0	0	0	111.4	D328	D326-D328 PolarHBondContact OD1-N 2.75Å
327	S	31.3	Very low	28.4	Very low	116 Å²	116	142 Å²	142	81%	0.811	77%	0.773	S	S	*	*			trans	-140.6	75.6	149.7	58.6	0	0	0	0	107.4	Y329	S327-Y329 PolarHBondContact O-N 2.96Å
328	D	28.6	Very low	28	Very low	128 Å²	128	143.6 Å²	143.6	68%	0.684	78%	0.781	S	S	*	*			trans	-47.6	115.4	144.5	-103.2	-20.2	0	0	0	109.5	D326	D326-D328 PolarHBondContact OD1-N 2.75Å
329	Y	30.8	Very low	27.8	Very low	212 Å²	212	147.3 Å²	147.3	83%	0.831	78%	0.782	S	S	*	*				167.8	96	123.9	-100.3	-81	0	0	0	108.1	S327	S327-Y329 PolarHBondContact O-N 2.96Å
330	G	30.2	Very low	27.8	Very low	80 Å²	80	152.1 Å²	152.1	83%	0.825	79%	0.785	S	S	*	*			trans	-166.8	53	175.1	0	0	0	0	0	110.2
331	Q	28.1	Very low	27.7	Very low	139 Å²	139	145.1 Å²	145.1	65%	0.65	78%	0.775	S	S	*	*			trans	-52.9	135.8	-179	-79	179.7	-15.1	0	0	112.8	R333	Q331-R333 PolarHBondContact O-N 3.2Å
332	C	21.1	Very low	27.4	Very low	130 Å²	130	142.8 Å²	142.8	88%	0.878	78%	0.776	S	S	*	*			trans	-55.7	124.7	146.7	-70.2	0	0	0	0	109.6
333	R	27.8	Very low	27.3	Very low	217 Å²	217	144.2 Å²	144.2	82%	0.819	78%	0.778	S	S	*	*			trans	-132.2	113.7	154.2	-86.9	-171.8	-178.9	-173.7	-0.7	108.9	Q331	Q331-R333 PolarHBondContact O-N 3.2Å
334	T	27.1	Very low	27.1	Very low	119 Å²	119	142.5 Å²	142.5	73%	0.73	78%	0.775	S	S	*	*			trans	-57	156.3	152.1	50	0	0	0	0	110.4
335	P	30.5	Very low	27	Very low	130 Å²	130	147.2 Å²	147.2	84%	0.844	78%	0.781	S	S	*	*			trans	-113.2	132.2	135.5	27.5	-16.2	0	0	0	110.8
336	V	28.8	Very low	26.6	Very low	110 Å²	110	148 Å²	148	67%	0.667	78%	0.779	S	S	*	*			trans	-88.7	131.3	173.5	150.5	0	0	0	0	107.4
337	F	25.4	Very low	26.4	Very low	167 Å²	167	147.5 Å²	147.5	73%	0.732	78%	0.784	S	S	*	*			trans	66.9	122.1	152.8	-74.2	-115.9	0	0	0	120.2	E339	F337-E339 HydrophobicContact CD1-CG 4.07Å; F337-E339 HydrophobicContact CE1-CG 4.34Å
338	D	25.9	Very low	26.1	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	78%	0.784	S	S	*	*				-142.6	144	102.5	-154.5	3.2	0	0	0	111.2
339	E	24.3	Very low	25.8	Very low	138 Å²	138	149 Å²	149	65%	0.645	78%	0.781	S	S	*	*			trans	-76.7	139.3	-177.1	-63	172.1	146	0	0	110.7	F337	F337-E339 HydrophobicContact CD1-CG 4.07Å; F337-E339 HydrophobicContact CE1-CG 4.34Å
340	R	28.7	Very low	25.6	Very low	236 Å²	236	148.8 Å²	148.8	89%	0.891	78%	0.78	S	S	*	*				-177.7	127.9	127.6	-98	161.3	-159.5	-136.1	5.8	112.4
341	S	26.7	Very low	25.3	Very low	102 Å²	102	150 Å²	150	71%	0.713	78%	0.776	S	S	*	*			trans	72.7	107.3	145.5	60.7	0	0	0	0	120.6
342	C	23	Very low	25.4	Very low	122 Å²	122	148.1 Å²	148.1	82%	0.824	78%	0.784	S	S	*	*				72.8	148.3	124.6	-63.6	0	0	0	0	118.7
343	Q	24.2	Very low	25.7	Very low	178 Å²	178	151.6 Å²	151.6	83%	0.832	79%	0.787	S	S	*	*			cis	-173.5	154.3	-27.7	-106.8	-118.3	-40.8	0	0	103	Q345	Q343-Q345 PolarHBondContact O-N 2.98Å
344	V	23.4	Very low	25.8	Very low	133 Å²	133	144.7 Å²	144.7	81%	0.806	78%	0.784	S	S	*	*			trans	-55.4	129	173.6	173.9	0	0	0	0	111.2
345	Q	23.4	Very low	25.9	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	79%	0.788	S	S	*	*			trans	-165.5	121.2	143.1	-111.8	179.3	0.1	0	0	113.5	Q343	Q343-Q345 PolarHBondContact O-N 2.98Å
346	K	22	Very low	25.8	Very low	194 Å²	194	145.8 Å²	145.8	84%	0.843	79%	0.791	S	S	*	*			trans	22.1	144	132.4	-123.2	174	-178.9	-180	0	121
347	S	23.1	Very low	25.7	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	79%	0.792	S	S	*	*			trans	76.9	144.9	156.9	78.5	0	0	0	0	115.3
348	E	24	Very low	25.8	Very low	173 Å²	173	142.7 Å²	142.7	81%	0.808	79%	0.793	S	S	*	*			cis	-172.6	147.6	0.5	-121.4	176.5	-164.1	0	0	107.1
349	V	23.7	Very low	25.7	Very low	102 Å²	102	146.2 Å²	146.2	62%	0.618	79%	0.794	S	S	*	*			trans	40.4	124.1	149	-134.4	0	0	0	0	119.1
350	Y	26	Very low	25.6	Very low	207 Å²	207	147 Å²	147	81%	0.812	80%	0.803	S	S	*	*				-174.3	145.3	67.6	-106.2	-78.1	0	0	0	112.9
351	S	24.3	Very low	25.5	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	80%	0.799	S	S	*	*			trans	68.9	104.7	144.3	-54.8	0	0	0	0	120.8
352	A	30	Very low	25.4	Very low	100 Å²	100	144.5 Å²	144.5	83%	0.826	80%	0.803	S	S	*	*				-156.1	138.6	123	0	0	0	0	0	109.6
353	E	27.3	Very low	25.7	Very low	202 Å²	202	146.3 Å²	146.3	94%	0.944	81%	0.805	S	S	*	*			trans	-53.7	131.9	-175.7	-64.5	141.1	142.5	0	0	112.4
354	G	30	Very low	25.9	Very low	72 Å²	72	146.1 Å²	146.1	74%	0.742	80%	0.804	S	S	*	*			trans	-173.4	101.7	177.8	0	0	0	0	0	111.2
355	A	30	Very low	26.3	Very low	100 Å²	100	147.3 Å²	147.3	83%	0.826	81%	0.806	S	S	*	*			trans	18.5	111.3	159	0	0	0	0	0	117.7
356	L	27.4	Very low	26.5	Very low	172 Å²	172	141.7 Å²	141.7	90%	0.901	80%	0.798	S	S	*	*			trans	-53.5	128.6	160.7	-77.9	160.5	0	0	0	110	S358	L356-S358 PolarHBondContact O-N 3.38Å
357	P	26.8	Very low	26.9	Very low	105 Å²	105	140.3 Å²	140.3	68%	0.682	79%	0.792	S	S	*	*			trans	-74.9	113.7	168.4	29.5	-27.9	0	0	0	107.8	W359	P357-W359 PolarHBondContact O-N 3.46Å
358	S	26.8	Very low	27.4	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	80%	0.8	S	S	*	*			trans	-57.4	125.1	163	52.1	0	0	0	0	108.5	L356 N360	L356-S358 PolarHBondContact O-N 3.38Å; S358-N360 PolarHBondContact O-N 3.44Å
359	W	25.1	Very low	27.5	Very low	231 Å²	231	141.4 Å²	141.4	88%	0.875	80%	0.796	S	S	*	*			trans	-63.7	117.8	173.4	-70.2	51.1	0	0	0	108.2	P357 L361	P357-W359 PolarHBondContact O-N 3.46Å; W359-L361 PolarHBondContact O-N 3.37Å; W359-L361 VanDerWaalsContact O-N 3.07Å
360	N	22.2	Very low	28	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	81%	0.805	S	S	*	*			trans	-70.4	96.3	163.4	-97.6	-5.6	0	0	0	107.5	S358	S358-N360 PolarHBondContact O-N 3.44Å
361	L	25.8	Very low	28.2	Very low	156 Å²	156	142.9 Å²	142.9	82%	0.817	81%	0.813	S	S	*	*			trans	-86.2	105.4	151.4	-79.8	162.1	0	0	0	106.1	W359 D363	W359-L361 PolarHBondContact O-N 3.37Å; W359-L361 VanDerWaalsContact O-N 3.07Å; L361-D363 PolarHBondContact O-N 2.75Å
362	T	24.7	Very low	28.5	Very low	131 Å²	131	140.5 Å²	140.5	80%	0.804	81%	0.805	S	S	*	*			trans	-69.6	108.8	161.2	46.5	0	0	0	0	107.1
363	D	30.4	Very low	28.6	Very low	160 Å²	160	142 Å²	142	86%	0.856	81%	0.806	S	S	*	*			trans	-110.9	123.7	159.9	-117.3	-14.1	0	0	0	107.5	L361	L361-D363 PolarHBondContact O-N 2.75Å
364	E	27.1	Very low	28.8	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	81%	0.805	S	S	*	*			trans	-64.7	163.1	163.4	-67.5	-166.7	141.7	0	0	109.4
365	D	32.9	Very low	28.6	Very low	158 Å²	158	143.4 Å²	143.4	85%	0.845	81%	0.806	S	S	*	*			trans	82.4	77.5	175.1	-54.5	-25.1	0	0	0	117
366	G	27.2	Very low	28.5	Very low	68 Å²	68	150.3 Å²	150.3	70%	0.701	81%	0.811	S	S	*	*			trans	-67.6	126.9	157.8	0	0	0	0	0	112
367	F	29.4	Very low	28.3	Very low	164 Å²	164	150.1 Å²	150.1	72%	0.719	81%	0.81	S	S	*	*			trans	-180	103.8	133.8	-120.8	-97.6	0	0	0	109.8
368	Y	33.4	Very low	28.2	Very low	231 Å²	231	150.2 Å²	150.2	91%	0.906	81%	0.814	S	S	*	*			trans	-131.7	105.8	146.6	-79.5	-76.8	0	0	0	107.7	T370	Y368-T370 PolarHBondContact O-N 3.29Å
369	G	28	Very low	28.2	Very low	70 Å²	70	153.1 Å²	153.1	72%	0.722	82%	0.819	S	S	*	*			trans	-68	117.2	166	0	0	0	0	0	109
370	T	32.4	Very low	28.3	Very low	132 Å²	132	147.3 Å²	147.3	81%	0.81	81%	0.814	S	S	*	*			trans	-106.8	97.4	160.4	53.5	0	0	0	0	107.4	Y368	Y368-T370 PolarHBondContact O-N 3.29Å
371	E	32.2	Very low	28.8	Very low	208 Å²	208	145.5 Å²	145.5	97%	0.972	81%	0.813	S	S	*	*			trans	-91.2	102	155.1	-72.8	-157.8	163	0	0	108
372	G	29.2	Very low	28.9	Very low	56 Å²	56	141.5 Å²	141.5	58%	0.577	81%	0.809	S	S	*	*			trans	-124.6	147.7	159.7	0	0	0	0	0	107.6
373	P	33.4	Very low	29.1	Very low	130 Å²	130	146 Å²	146	84%	0.844	81%	0.812	S	S	*	*			trans	-71.6	137.8	-160.4	29.1	-33.8	0	0	0	112.2	A375	P373-A375 PolarHBondContact O-N 3.44Å; P373-A375 VanDerWaalsContact O-N 3.15Å
374	F	30.3	Very low	29	Very low	211 Å²	211	144.8 Å²	144.8	93%	0.925	80%	0.801	S	S	*	*			trans	-48.4	110.1	177.4	-62.1	-89.5	0	0	0	113.3
375	A	27.1	Very low	29	Very low	93 Å²	93	144 Å²	144	77%	0.769	80%	0.795	S	S	*	*			trans	-89.8	108.2	151.1	0	0	0	0	0	108.4	P373 L377	P373-A375 PolarHBondContact O-N 3.44Å; P373-A375 VanDerWaalsContact O-N 3.15Å; A375-L377 PolarHBondContact O-N 2.83Å
376	R	25.9	Very low	28.9	Very low	245 Å²	245	146 Å²	146	93%	0.925	79%	0.791	S	S	*	*			trans	-60.3	117.9	167.2	-91.9	177.6	172.7	169.2	-1.6	109.6
377	L	24.4	Very low	29.1	Very low	169 Å²	169	149.5 Å²	149.5	89%	0.885	79%	0.793	S	S	*	*			trans	-100.4	102.1	158.4	-86.8	159	0	0	0	108.3	A375	A375-L377 PolarHBondContact O-N 2.83Å
378	S	25.5	Very low	29.1	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	79%	0.792	S	S	*	*			trans	-81.5	119.5	164.9	67	0	0	0	0	109.2
379	I	25.2	Very low	29	Very low	169 Å²	169	141.6 Å²	141.6	87%	0.867	79%	0.786	S	S	*	*			trans	-83.3	113.4	166.7	-64	168.4	0	0	0	106.9
380	S	28.4	Very low	29	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	79%	0.792	S	S	*	*			trans	-115.2	118.3	160.5	69	0	0	0	0	109.5
381	S	31.3	Very low	28.9	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	79%	0.788	S	S	*	*			trans	-63.9	134.2	174.1	54.2	0	0	0	0	113
382	G	28.1	Very low	28.6	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	79%	0.786	S	S	*	*				84.4	103.5	118.4	0	0	0	0	0	120.4
383	R	29.5	Very low	28.7	Very low	225 Å²	225	137.7 Å²	137.7	85%	0.849	79%	0.788	S	S	*	*			trans	89.6	108.6	131.5	-81.3	-170.6	171.7	166.9	-1.2	122
384	Q	28.5	Very low	28.6	Very low	134 Å²	134	139.6 Å²	139.6	63%	0.626	79%	0.789	S	S	*	*				101.8	122.5	110.4	-91.5	-168.5	-15.6	0	0	122.1
385	K	27.8	Very low	28.5	Very low	158 Å²	158	134.1 Å²	134.1	69%	0.687	78%	0.777	S	S	*	*			trans	74.1	139.5	142.2	-72	173.5	178.4	171.7	0	116
386	R	30	Very low	28.5	Very low	201 Å²	201	137.5 Å²	137.5	76%	0.758	78%	0.781	S	S	*	*			cis	-169.4	151	24.4	-128.5	173.1	-177.9	174.1	-1	108.7
387	N	30.5	Very low	28.5	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	78%	0.777	S	S	*	*			trans	46.8	144.1	143.3	-62.8	2.9	0	0	0	119.6
388	S	29.4	Very low	28.7	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	78%	0.775	S	S	*	*			cis	172.1	143.5	10.7	43.8	0	0	0	0	103.7
389	V	31.7	Very low	28.7	Very low	129 Å²	129	129.9 Å²	129.9	78%	0.782	78%	0.779	S	S	*	*				169.4	129.9	84	165.8	0	0	0	0	108.4
390	A	29.3	Very low	28.8	Very low	102 Å²	102	128.9 Å²	128.9	84%	0.843	78%	0.775	S	S	*	*			trans	41.6	139.1	140.5	0	0	0	0	0	125.9
391	G	28.4	Very low	28.8	Very low	71 Å²	71	129.3 Å²	129.3	73%	0.732	78%	0.779	S	S	*	*			trans	149.5	73.3	149.2	0	0	0	0	0	113.7
392	C	27.7	Very low	28.5	Very low	137 Å²	137	133 Å²	133	93%	0.926	79%	0.788	S	S	*	*				52.2	132.4	105.6	-84.6	0	0	0	0	115.6
393	A	31.2	Very low	28.3	Very low	75 Å²	75	134.1 Å²	134.1	62%	0.62	79%	0.785	S	S	*	*			cis	-171.6	153.8	26	0	0	0	0	0	114.3
394	I	30	Very low	28	Very low	170 Å²	170	132.1 Å²	132.1	87%	0.872	79%	0.785	S	S	*	*			trans	74.6	133.1	140.1	-59.6	159.3	0	0	0	118.1
395	S	29	Very low	28.1	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	80%	0.797	S	S	*	*			cis	-160.1	126.8	12.8	131.1	0	0	0	0	108.4
396	L	26.7	Very low	28	Very low	163 Å²	163	129.4 Å²	129.4	85%	0.853	80%	0.8	S	S	*	*				68.8	111.8	99.7	-82.1	164.8	0	0	0	119.2
397	A	26.7	Very low	28	Very low	102 Å²	102	124.8 Å²	124.8	84%	0.843	80%	0.796	S	S	*	*			trans	78	130.7	133.6	0	0	0	0	0	122
398	G	26.9	Very low	27.8	Very low	81 Å²	81	125.7 Å²	125.7	84%	0.835	80%	0.8	S	S	*	*			trans	142.2	99.9	151.4	0	0	0	0	0	115.1
399	E	26.3	Very low	27.6	Very low	178 Å²	178	125.3 Å²	125.3	83%	0.832	80%	0.803	S	S	*	*			trans	-68.2	162.1	174.1	-68.3	170.8	137.9	0	0	114.1
400	N	26.8	Very low	27.4	Very low	148 Å²	148	124.5 Å²	124.5	79%	0.791	81%	0.809	S	S	*	*			trans	78.4	97.4	156.8	-60.9	-27	0	0	0	119.3
401	S	28.7	Very low	27.3	Very low	119 Å²	119	126.8 Å²	126.8	83%	0.832	80%	0.803	S	S	*	*				175.5	121.2	112	46	0	0	0	0	109.9
402	L	24.4	Very low	27.2	Very low	190 Å²	190	130.8 Å²	130.8	100%	0.995	80%	0.802	S	S	*	*			trans	-83.6	111	173.9	-89.2	151.1	0	0	0	108.8
403	S	24.3	Very low	27.2	Very low	98 Å²	98	135.7 Å²	135.7	69%	0.685	80%	0.802	S	S	*	*			trans	-147.5	132.7	154.5	59.8	0	0	0	0	110.5
404	E	24.1	Very low	26.9	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	81%	0.814	S	S	*	*			trans	72	100.6	158.3	-64.9	-177.2	155.9	0	0	119.3
405	V	29.5	Very low	26.9	Very low	145 Å²	145	142.6 Å²	142.6	88%	0.879	81%	0.809	S	S	*	*				-145.6	108.9	125.9	-174.1	0	0	0	0	109.2
406	A	26.6	Very low	27	Very low	91 Å²	91	143.7 Å²	143.7	75%	0.752	81%	0.814	S	S	*	*			trans	-103	150.3	137.4	0	0	0	0	0	105
407	P	30.2	Very low	26.9	Very low	104 Å²	104	139.4 Å²	139.4	68%	0.675	81%	0.809	S	S	*	*				-157.3	-177.5	72.1	35.2	-10.8	0	0	0	116.3
408	L	26.5	Very low	27	Very low	159 Å²	159	143.5 Å²	143.5	83%	0.832	81%	0.813	S	S	*	*			trans	105.8	108.3	151	-60.1	166.1	0	0	0	118.9
409	A	24.3	Very low	27.2	Very low	92 Å²	92	145.4 Å²	145.4	76%	0.76	81%	0.811	S	S	*	*				61.9	107.8	127.1	0	0	0	0	0	119.2
410	A	28	Very low	27.4	Very low	111 Å²	111	145.8 Å²	145.8	92%	0.917	82%	0.818	S	S	*	*			trans	-128.5	101.9	139.6	0	0	0	0	0	108
411	Q	28.1	Very low	27.5	Very low	151 Å²	151	149.5 Å²	149.5	71%	0.706	82%	0.82	S	S	*	*			trans	-95	141.5	174.2	-172.8	172.2	-10.8	0	0	107.8
412	E	25.2	Very low	27.6	Very low	155 Å²	155	151.4 Å²	151.4	72%	0.724	82%	0.816	S	S	*	*			trans	32.7	109.1	152.9	-64.1	171.3	130.9	0	0	119.4
413	W	27.8	Very low	28	Very low	240 Å²	240	149.6 Å²	149.6	91%	0.909	81%	0.813	S	S	*	*			trans	-132.7	102.9	139.4	-82.3	69.3	0	0	0	109.3
414	Y	24.6	Very low	28.2	Very low	224 Å²	224	149.3 Å²	149.3	88%	0.878	82%	0.817	S	S	*	*			trans	-109.6	110.9	164.2	-147.2	-87.4	0	0	0	104.5
415	E	30.5	Very low	28.6	Very low	166 Å²	166	152.4 Å²	152.4	78%	0.776	84%	0.838	S	S	*	*			trans	-136.9	128.9	162.4	-88.7	-161.8	159.2	0	0	109.7
416	P	30.8	Very low	28.6	Very low	118 Å²	118	152.8 Å²	152.8	77%	0.766	84%	0.836	S	S	*	*			trans	-97.7	136	174.3	34.9	-26.9	0	0	0	111.6
417	G	25.7	Very low	28.7	Very low	73 Å²	73	156 Å²	156	75%	0.753	84%	0.84	S	S	*	*			trans	105	107.6	153.8	0	0	0	0	0	116.8
418	M	28.1	Very low	28.6	Very low	189 Å²	189	158.9 Å²	158.9	93%	0.931	85%	0.849	S	S	*	*			trans	-164.9	147.4	130.8	-107.6	-174.7	-136.5	0	0	111.1
419	P	30.3	Very low	28.7	Very low	121 Å²	121	158.9 Å²	158.9	79%	0.786	85%	0.85	S	S	*	*			trans	-87.7	141.7	-173.3	34.9	-30.7	0	0	0	111.7
420	L	30.9	Very low	29	Very low	185 Å²	185	163.1 Å²	163.1	97%	0.969	86%	0.856	S	S	*	*			trans	-77.1	122.2	171.5	-75.2	165.9	0	0	0	110.1
421	R	29.8	Very low	29.1	Very low	226 Å²	226	166.5 Å²	166.5	85%	0.853	85%	0.852	S	S	*	*			trans	-125.6	119.4	163.2	-159	179.7	-174.5	-169.9	3.9	108.8
422	E	29.9	Very low	29.2	Very low	160 Å²	160	167.6 Å²	167.6	75%	0.748	86%	0.862	S	S	*	*			trans	17.1	127.1	153.9	-61.3	170.2	144.9	0	0	119.6
423	T	32.5	Very low	29.5	Very low	151 Å²	151	168.6 Å²	168.6	93%	0.926	87%	0.873	S	S	*	*				-165.8	138.2	115.3	6.4	0	0	0	0	112.5
424	A	29.6	Very low	29.6	Very low	92 Å²	92	162.7 Å²	162.7	76%	0.76	87%	0.87	S	S	*	*			trans	-74.9	149.5	175.6	0	0	0	0	0	113
425	L	32.7	Very low	30.1	Very low	247 Å²	247	157.1 Å²	157.1	100%	1.293	87%	0.869	S	S	*	*			trans	-168.2	0	136.7	-105.2	163.2	0	0	0	110.2

Retrieved 425 of 425 residues in 592.3 ms (Link to these results)

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