A0A087XZH0_POEFO Loading...

palmitoyl-CoA hydrolase

AlphaFold DB , UniProt , Accession A0A087XZH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 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	36	Very low	49	Very low	244 Å²	244	107.1 Å²	107.1	100%	1.202	64%	0.64	S	S	*	*				0	103.6	0	-68.8	176.1	-175.6	0	0	106.4	S3	M1-S3 PolarHBondContact O-N 2.69Å
2	S	32.2	Very low	52.5	Low	120 Å²	120	100.6 Å²	100.6	84%	0.839	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-62.9	126.1	176.3	31.7	0	0	0	0	109.1
3	S	33.5	Very low	55.7	Low	103 Å²	103	102 Å²	102	72%	0.72	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-49.9	133.3	166.8	45.6	0	0	0	0	109.4	M1 G5	M1-S3 PolarHBondContact O-N 2.69Å; S3-G5 PolarHBondContact O-N 2.78Å
4	P	39.9	Very low	58.4	Low	102 Å²	102	97.8 Å²	97.8	66%	0.662	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-56.8	135.6	172.5	6.2	-0.7	0	0	0	108.3	E8	P4-E8 VanDerWaalsContact CB-OE2 3.3Å; P4-E8 WeakPolarHBondContact CB-OE2 3.29Å
5	G	39.4	Very low	60.8	Low	47 Å²	47	96.8 Å²	96.8	49%	0.485	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-57.6	143.9	178.4	0	0	0	0	0	110.2	S3 D7 E8	S3-G5 PolarHBondContact O-N 2.78Å; G5-D7 PolarHBondContact O-N 3.39Å; G5-E8 PolarHBondContact O-N 3.41Å
6	M	43.3	Very low	63.1	Low	144 Å²	144	96.4 Å²	96.4	71%	0.709	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-52.5	-22.9	178.1	-83.7	179.2	-157.5	0	0	113.5	E8 A9 K138	M6-E8 VanDerWaalsContact C-N 3.34Å; M6-E8 PolarHBondContact O-N 3.06Å; M6-A9 WeakPolarHBondContact O-CB 3.47Å; M6-A9 PolarHBondContact O-N 3.32Å; M6-K138 PolarHBondContact SD-NZ 3.36Å; M6-K138 VanDerWaalsContact SD-NZ 3.4Å
7	D	47.2	Very low	65.1	Low	141 Å²	141	94.5 Å²	94.5	75%	0.754	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-70.5	-22.8	177.5	-70.9	-23.3	0	0	0	114	G5 A9 S10	G5-D7 PolarHBondContact O-N 3.39Å; D7-A9 VanDerWaalsContact C-N 3.28Å; D7-A9 PolarHBondContact O-N 3.37Å; D7-S10 PolarHBondContact O-OG 3.1Å
8	E	51.8	Low	67	Low	135 Å²	135	89.3 Å²	89.3	63%	0.631	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-78	-13.6	174	-75	-175.9	159.9	0	0	112.7	P4 G5 M6	P4-E8 VanDerWaalsContact CB-OE2 3.3Å; P4-E8 WeakPolarHBondContact CB-OE2 3.29Å; G5-E8 PolarHBondContact O-N 3.41Å; M6-E8 VanDerWaalsContact C-N 3.34Å; M6-E8 PolarHBondContact O-N 3.06Å
9	A	60	Low	68.6	Low	39 Å²	39	89.3 Å²	89.3	32%	0.322	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-79.1	-20.6	-177.4	0	0	0	0	0	113.4	M6 D7	M6-A9 WeakPolarHBondContact O-CB 3.47Å; M6-A9 PolarHBondContact O-N 3.32Å; D7-A9 VanDerWaalsContact C-N 3.28Å; D7-A9 PolarHBondContact O-N 3.37Å
10	S	72.4	Confident	70	Confident	39 Å²	39	89.3 Å²	89.3	27%	0.273	52%	0.516	S	S	.	.	S	Bend	trans	-101.7	-2.4	-174.7	59.2	0	0	0	0	114.5	D7 I45 E85 I86	D7-S10 PolarHBondContact O-OG 3.1Å; S10-I45 VanDerWaalsContact O-CD1 3.26Å; S10-I45 WeakPolarHBondContact O-CD1 3.45Å; S10-E85 WeakPolarHBondContact O-CA 3.4Å; S10-I86 PolarHBondContact O-N 3.08Å; S10-I86 VanDerWaalsContact O-N 3.17Å
11	S	83.1	Confident	71.2	Confident	64 Å²	64	92.1 Å²	92.1	45%	0.448	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.6	174.4	64.9	0	0	0	0	113.2	A84	S11-A84 CarbonylContact C-O 3.52Å; S11-A84 WeakPolarHBondContact CA-O 3.34Å
12	L	91.4	Very high	74.2	Confident	29 Å²	29	81.2 Å²	81.2	15%	0.152	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139	176.5	176.3	77.3	0	0	0	109.1	A41 I44 I45 N83 A84	L12-A41 HydrophobicContact CD2-CB 4.17Å; L12-A41 VanDerWaalsContact CD2-O 3.22Å; L12-A41 WeakPolarHBondContact CD2-O 3.17Å; L12-I44 HydrophobicContact CD1-CG2 4.06Å; L12-I44 HydrophobicContact CD2-CB 3.67Å; L12-I44 HydrophobicContact CD2-CD1 4.38Å; L12-I44 HydrophobicContact CD2-CG2 3.58Å; L12-I44 HydrophobicContact CG-CG2 4.49Å; L12-I45 HydrophobicContact CB-CB 4.09Å; L12-I45 HydrophobicContact CB-CD1 3.98Å; L12-I45 HydrophobicContact CB-CG1 4.27Å; L12-I45 HydrophobicContact CD2-CB 4.3Å; L12-N83 WeakPolarHBondContact O-CA 3.49Å; L12-A84 HydrophobicContact CB-CB 4.49Å; L12-A84 PolarHBondContact N-O 3.34Å; L12-A84 PolarHBondContact O-N 3.26Å
13	Q	93.2	Very high	77.1	Confident	119 Å²	119	76 Å²	76	56%	0.556	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.9	168.5	-174.3	173.6	23.3	0	0	110.4	H81 V82 N83	Q13-H81 PolarHBondContact NE2-ND1 3.4Å; Q13-V82 WeakPolarHBondContact CA-O 3.42Å; Q13-N83 VanDerWaalsContact CG-OD1 3.27Å; Q13-N83 WeakPolarHBondContact CG-OD1 3.48Å
14	L	93.4	Very high	79.8	Confident	43 Å²	43	72.1 Å²	72.1	23%	0.225	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.9	166.3	176	128	0	0	0	107.9	M37 V82	L14-M37 HydrophobicContact CD2-CB 4.2Å; L14-M37 HydrophobicContact CD2-CE 3.4Å; L14-M37 VanDerWaalsContact CD2-CE 3.4Å; L14-M37 HydrophobicContact CD2-CG 4.39Å; L14-V82 HydrophobicContact CB-CB 4.33Å; L14-V82 HydrophobicContact CD2-CB 4.33Å; L14-V82 HydrophobicContact CD2-CG2 4.13Å; L14-V82 PolarHBondContact N-O 2.95Å; L14-V82 PolarHBondContact O-N 3.19Å
15	C	95.4	Very high	82.1	Confident	83 Å²	83	74.1 Å²	74.1	56%	0.561	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.9	175	64.7	0	0	0	0	111.3	V79 V80	C15-V79 HydrophobicContact CB-CG1 4.38Å; C15-V80 VanDerWaalsContact CA-O 3.23Å; C15-V80 WeakPolarHBondContact CA-O 3.36Å
16	R	97.1	Very high	84.3	Confident	90 Å²	90	76.6 Å²	76.6	34%	0.34	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.9	179.2	-160	-178.7	76.8	-175.8	7.5	110.4	M18 D22 M37 V80	R16-M18 HydrophobicContact CB-CE 4.03Å; R16-M18 HydrophobicContact CG-CE 4.43Å; R16-M18 WeakPolarHBondContact O-CE 3.4Å; R16-D22 IonicContact CZ-OD1 2.73Å; R16-D22 IonicContact CZ-OD2 3.9Å; R16-D22 IonicContact NH2-OD1 3.93Å; R16-D22 PolarHBondContact NH2-OD1 3.44Å; R16-D22 IonicContact NH2-OD2 3.64Å; R16-D22 PolarHBondContact NH2-OD2 3.21Å; R16-M37 HydrophobicContact CB-CE 3.8Å; R16-V80 PolarHBondContact N-O 3.23Å; R16-V80 PolarHBondContact O-N 3.41Å
17	V	97.8	Very high	86.6	Confident	65 Å²	65	70.4 Å²	70.4	39%	0.394	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.5	166.7	64.4	0	0	0	0	109.9	L19 V79	V17-L19 HydrophobicContact CG1-CD2 4.04Å; V17-V79 HydrophobicContact CB-CG2 4.36Å
18	M	98.2	Very high	88.8	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-83.4	124.7	177	-61.6	-65.3	95.3	0	0	110.6	R16 D22 V29 M37 V74 G77 E78 V80	R16-M18 HydrophobicContact CB-CE 4.03Å; R16-M18 HydrophobicContact CG-CE 4.43Å; R16-M18 WeakPolarHBondContact O-CE 3.4Å; M18-D22 HydrophobicContact SD-CB 4.49Å; M18-V29 HydrophobicContact CB-CG2 3.73Å; M18-V29 HydrophobicContact CG-CG2 3.78Å; M18-V29 HydrophobicContact SD-CG1 3.98Å; M18-V29 HydrophobicContact SD-CG2 4.11Å; M18-M37 HydrophobicContact CE-CE 4.03Å; M18-M37 HydrophobicContact CE-SD 3.73Å; M18-M37 HydrophobicContact SD-SD 4.39Å; M18-V74 HydrophobicContact CG-CG1 3.86Å; M18-G77 PolarHBondContact O-N 3.13Å; M18-E78 WeakPolarHBondContact CG-O 3.45Å; M18-E78 PolarHBondContact N-O 3.39Å; M18-V80 HydrophobicContact CE-CB 3.89Å; M18-V80 HydrophobicContact CE-CG2 3.89Å; M18-V80 HydrophobicContact CG-CB 4.47Å; M18-V80 HydrophobicContact CG-CG2 3.54Å; M18-V80 HydrophobicContact SD-CB 4.26Å; M18-V80 HydrophobicContact SD-CG2 3.6Å; M18-V80 VanDerWaalsContact SD-CG2 3.6Å
19	L	97.7	Very high	91	Very high	88 Å²	88	58.1 Å²	58.1	46%	0.461	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-98.4	166	-175.5	-60.8	178.8	0	0	0	111.3	V17 D21 D22	V17-L19 HydrophobicContact CG1-CD2 4.04Å; L19-D21 PolarHBondContact O-N 2.81Å; L19-D22 PolarHBondContact N-OD2 2.82Å; L19-D22 WeakPolarHBondContact O-CB 3.45Å; L19-D22 PolarHBondContact O-N 3.38Å
20	P	96.8	Very high	92.7	Very high	89 Å²	89	59.6 Å²	59.6	58%	0.578	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-52.7	-37.4	173.2	-28.9	37	0	0	0	113.9	D22 A23 I76	P20-D22 PolarHBondContact O-N 2.9Å; P20-A23 PolarHBondContact O-N 3.42Å; P20-I76 HydrophobicContact CB-CD1 4.44Å; P20-I76 HydrophobicContact CG-CG2 4.28Å
21	D	95.9	Very high	93.8	Very high	150 Å²	150	57.9 Å²	57.9	80%	0.802	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-67.3	-15.1	178	-63.9	-13.6	0	0	0	113.7	L19	L19-D21 PolarHBondContact O-N 2.81Å
22	D	97.3	Very high	94.5	Very high	14 Å²	14	54.9 Å²	54.9	8%	0.075	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-87.1	-7.9	178.9	-66.3	-42.6	0	0	0	112.7	R16 M18 L19 P20 V29 H30 I33	R16-D22 IonicContact CZ-OD1 2.73Å; R16-D22 IonicContact CZ-OD2 3.9Å; R16-D22 IonicContact NH2-OD1 3.93Å; R16-D22 PolarHBondContact NH2-OD1 3.44Å; R16-D22 IonicContact NH2-OD2 3.64Å; R16-D22 PolarHBondContact NH2-OD2 3.21Å; M18-D22 HydrophobicContact SD-CB 4.49Å; L19-D22 PolarHBondContact N-OD2 2.82Å; L19-D22 WeakPolarHBondContact O-CB 3.45Å; L19-D22 PolarHBondContact O-N 3.38Å; P20-D22 PolarHBondContact O-N 2.9Å; D22-V29 HydrophobicContact CB-CG1 4.4Å; D22-V29 CarbonylContact O-C 3.51Å; D22-V29 WeakPolarHBondContact O-CA 3.33Å; D22-H30 PolarHBondContact O-CD2 2.74Å; D22-H30 PolarHBondContact O-N 2.88Å; D22-I33 HydrophobicContact CB-CG1 4.31Å; D22-I33 HydrophobicContact CB-CG2 4.12Å
23	A	94.3	Very high	94.8	Very high	12 Å²	12	54.2 Å²	54.2	10%	0.099	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-129	158.6	-166.9	0	0	0	0	0	113.7	P20 N28 V29 H30 I76	P20-A23 PolarHBondContact O-N 3.42Å; A23-N28 CarbonylContact C-O 3.54Å; A23-N28 WeakPolarHBondContact CA-O 3.36Å; A23-N28 VanDerWaalsContact CB-O 3.3Å; A23-N28 WeakPolarHBondContact CB-O 3.3Å; A23-V29 HydrophobicContact CB-CG2 4.37Å; A23-H30 VanDerWaalsContact C-CD2 3.45Å; A23-H30 VanDerWaalsContact C-NE2 3.3Å; A23-H30 PolarHBondContact O-NE2 2.98Å; A23-I76 HydrophobicContact CB-CD1 3.8Å; A23-I76 HydrophobicContact CB-CG1 3.46Å; A23-I76 VanDerWaalsContact CB-CG1 3.46Å
24	N	90.4	Very high	95	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	26%	0.262	C	S	.	.			trans	-71.9	172.9	171.7	72.3	17.9	0	0	0	110.8	M26 G27 N28 H30 N232 I233	N24-M26 PolarHBondContact O-N 3.28Å; N24-M26 WeakPolarHBondContact OD1-CA 3.19Å; N24-M26 WeakPolarHBondContact OD1-CB 3.46Å; N24-M26 PolarHBondContact OD1-N 2.99Å; N24-G27 PolarHBondContact O-N 3.47Å; N24-G27 PolarHBondContact OD1-N 3.38Å; N24-N28 PolarHBondContact N-O 3.46Å; N24-N28 PolarHBondContact OD1-N 2.87Å; N24-N28 VanDerWaalsContact OD1-N 3.1Å; N24-H30 PolarHBondContact N-NE2 2.97Å; N24-N232 PolarHBondContact ND2-OD1 3.27Å; N24-I233 PolarHBondContact ND2-O 3.11Å
25	F	87.6	Confident	95.2	Very high	144 Å²	144	46.9 Å²	46.9	63%	0.632	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.4	-179.2	63.5	-88.2	0	0	0	114.8	F226	F25-F226 HydrophobicContact CE1-CD2 4.48Å; F25-F226 AromaticContact CE1-CE2 3.91Å; F25-F226 HydrophobicContact CE1-CE2 3.91Å; F25-F226 HydrophobicContact CE1-CZ 4.42Å; F25-F226 AromaticContact CZ-CE2 3.77Å; F25-F226 HydrophobicContact CZ-CE2 3.77Å; F25-F226 HydrophobicContact CZ-CZ 4.34Å
26	M	86.6	Confident	95.4	Very high	98 Å²	98	46 Å²	46	48%	0.483	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	1.4	173.2	-67.6	-71.6	-179.9	0	0	112.7	N24 N232	N24-M26 PolarHBondContact O-N 3.28Å; N24-M26 WeakPolarHBondContact OD1-CA 3.19Å; N24-M26 WeakPolarHBondContact OD1-CB 3.46Å; N24-M26 PolarHBondContact OD1-N 2.99Å; M26-N232 HydrophobicContact CG-CB 4.06Å
27	G	91.5	Very high	95.4	Very high	14 Å²	14	41.8 Å²	41.8	14%	0.144	22%	0.222	C	C	.	.	S	Bend	trans	82.1	8.3	177.9	0	0	0	0	0	114.9	N24 F75 I76	N24-G27 PolarHBondContact O-N 3.47Å; N24-G27 PolarHBondContact OD1-N 3.38Å; G27-F75 WeakPolarHBondContact O-CA 3.49Å; G27-I76 PolarHBondContact O-N 2.8Å
28	N	93.8	Very high	95.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-80.6	125	170.6	-57.7	106.3	0	0	0	109.8	A23 N24 H30 F75 N232 V234 N302	A23-N28 CarbonylContact C-O 3.54Å; A23-N28 WeakPolarHBondContact CA-O 3.36Å; A23-N28 VanDerWaalsContact CB-O 3.3Å; A23-N28 WeakPolarHBondContact CB-O 3.3Å; N24-N28 PolarHBondContact N-O 3.46Å; N24-N28 PolarHBondContact OD1-N 2.87Å; N24-N28 VanDerWaalsContact OD1-N 3.1Å; N28-H30 PolarHBondContact O-N 3.39Å; N28-F75 WeakPolarHBondContact ND2-CE1 3.4Å; N28-N232 PolarHBondContact OD1-ND2 3.44Å; N28-V234 HydrophobicContact CB-CG1 3.98Å; N28-N302 PolarHBondContact ND2-OD1 3.2Å
29	V	96.6	Very high	95.4	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.103	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-61.3	135.1	175.1	174.2	0	0	0	0	110.1	M18 D22 A23 I33 I34 V74	M18-V29 HydrophobicContact CB-CG2 3.73Å; M18-V29 HydrophobicContact CG-CG2 3.78Å; M18-V29 HydrophobicContact SD-CG1 3.98Å; M18-V29 HydrophobicContact SD-CG2 4.11Å; D22-V29 HydrophobicContact CB-CG1 4.4Å; D22-V29 CarbonylContact O-C 3.51Å; D22-V29 WeakPolarHBondContact O-CA 3.33Å; A23-V29 HydrophobicContact CB-CG2 4.37Å; V29-I33 HydrophobicContact CG1-CB 4.15Å; V29-I33 HydrophobicContact CG1-CG2 4.22Å; V29-I34 HydrophobicContact CG1-CD1 3.96Å; V29-I34 HydrophobicContact CG1-CG1 4.09Å; V29-V74 HydrophobicContact CB-CB 4Å; V29-V74 HydrophobicContact CB-CG1 4.23Å; V29-V74 HydrophobicContact CG2-CB 4.11Å; V29-V74 HydrophobicContact CG2-CG1 3.85Å; V29-V74 PolarHBondContact N-O 2.85Å
30	H	95.5	Very high	95.4	Very high	69 Å²	69	37.5 Å²	37.5	32%	0.319	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-65.2	139	178.7	-71.3	-74.7	0	0	0	111.5	D22 A23 N24 N28 G32 I33 I34	D22-H30 PolarHBondContact O-CD2 2.74Å; D22-H30 PolarHBondContact O-N 2.88Å; A23-H30 VanDerWaalsContact C-CD2 3.45Å; A23-H30 VanDerWaalsContact C-NE2 3.3Å; A23-H30 PolarHBondContact O-NE2 2.98Å; N24-H30 PolarHBondContact N-NE2 2.97Å; N28-H30 PolarHBondContact O-N 3.39Å; H30-G32 PolarHBondContact O-N 3.19Å; H30-I33 HydrophobicContact CB-CG1 4.07Å; H30-I33 WeakPolarHBondContact O-CB 3.07Å; H30-I33 PolarHBondContact O-N 2.84Å; H30-I33 VanDerWaalsContact O-N 3.07Å; H30-I34 PolarHBondContact O-N 2.96Å
31	G	96.3	Very high	95.4	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-36.7	177.4	0	0	0	0	0	112	I33 I34 L35 D218	G31-I33 VanDerWaalsContact C-N 3.29Å; G31-I33 PolarHBondContact O-N 2.83Å; G31-I34 PolarHBondContact O-N 2.74Å; G31-I34 VanDerWaalsContact O-N 3.16Å; G31-L35 WeakPolarHBondContact O-CG 3.37Å; G31-L35 PolarHBondContact O-N 2.71Å; G31-D218 PolarHBondContact N-OD2 2.9Å
32	G	97.2	Very high	95.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-33.2	177	0	0	0	0	0	114.1	H30 K36 D218	H30-G32 PolarHBondContact O-N 3.19Å; G32-K36 WeakPolarHBondContact O-CB 3.27Å; G32-K36 PolarHBondContact O-N 3.48Å; G32-D218 PolarHBondContact N-OD2 2.81Å
33	I	98.1	Very high	95.5	Very high	14 Å²	14	25.8 Å²	25.8	7%	0.072	13%	0.129	C	C	.	.	H	α-helix	trans	-68.5	-45.3	175.5	-63.8	-65.6	0	0	0	110.3	D22 V29 H30 G31 K36 M37 K215	D22-I33 HydrophobicContact CB-CG1 4.31Å; D22-I33 HydrophobicContact CB-CG2 4.12Å; V29-I33 HydrophobicContact CG1-CB 4.15Å; V29-I33 HydrophobicContact CG1-CG2 4.22Å; H30-I33 HydrophobicContact CB-CG1 4.07Å; H30-I33 WeakPolarHBondContact O-CB 3.07Å; H30-I33 PolarHBondContact O-N 2.84Å; H30-I33 VanDerWaalsContact O-N 3.07Å; G31-I33 VanDerWaalsContact C-N 3.29Å; G31-I33 PolarHBondContact O-N 2.83Å; I33-K36 PolarHBondContact O-N 2.9Å; I33-M37 HydrophobicContact CG2-SD 4.41Å; I33-M37 WeakPolarHBondContact O-CG 3.41Å; I33-M37 PolarHBondContact O-N 2.91Å; I33-K215 HydrophobicContact CD1-CD 4Å; I33-K215 VanDerWaalsContact CD1-CE 3.42Å
34	I	98	Very high	95.7	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-43.8	176.7	-58.2	-59.7	0	0	0	110.7	V29 H30 G31 K36 M37 I38 F70 V74 V80 V100 N114	V29-I34 HydrophobicContact CG1-CD1 3.96Å; V29-I34 HydrophobicContact CG1-CG1 4.09Å; H30-I34 PolarHBondContact O-N 2.96Å; G31-I34 PolarHBondContact O-N 2.74Å; G31-I34 VanDerWaalsContact O-N 3.16Å; I34-K36 VanDerWaalsContact C-N 3.31Å; I34-K36 PolarHBondContact O-N 2.86Å; I34-M37 PolarHBondContact O-N 2.84Å; I34-I38 HydrophobicContact CG2-CD1 3.82Å; I34-I38 HydrophobicContact CG2-CG1 4.38Å; I34-I38 WeakPolarHBondContact O-CB 3.39Å; I34-I38 VanDerWaalsContact O-CG1 3.24Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 2.67Å; I34-F70 HydrophobicContact CB-CE1 3.96Å; I34-F70 HydrophobicContact CG1-CE1 4.4Å; I34-F70 HydrophobicContact CG2-CE1 4Å; I34-V74 HydrophobicContact CD1-CG2 4.28Å; I34-V80 HydrophobicContact CD1-CG1 4.32Å; I34-V80 HydrophobicContact CD1-CG2 4.15Å; I34-V100 HydrophobicContact CG2-CG1 4.27Å; I34-V100 HydrophobicContact CG2-CG2 4.25Å; I34-N114 HydrophobicContact CG2-CB 4.29Å
35	L	98	Very high	96	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-39.8	175.9	-69	170.7	0	0	0	112.2	G31 I38 E39 T68 F70 M214 V238 F293	G31-L35 WeakPolarHBondContact O-CG 3.37Å; G31-L35 PolarHBondContact O-N 2.71Å; L35-I38 PolarHBondContact O-N 3.22Å; L35-E39 PolarHBondContact O-N 3Å; L35-T68 HydrophobicContact CD2-CG2 4.44Å; L35-F70 HydrophobicContact CD2-CZ 4.33Å; L35-F70 HydrophobicContact CG-CZ 4.12Å; L35-M214 HydrophobicContact CB-CB 4.06Å; L35-M214 HydrophobicContact CB-CE 4.32Å; L35-M214 HydrophobicContact CB-SD 4.26Å; L35-M214 HydrophobicContact CD1-CB 4.2Å; L35-M214 HydrophobicContact CD2-SD 4.45Å; L35-V238 HydrophobicContact CD1-CG2 4.13Å; L35-F293 HydrophobicContact CD1-CE1 4.25Å
36	K	98	Very high	96.4	Very high	64 Å²	64	20.9 Å²	20.9	28%	0.278	11%	0.107	S	C	.	.	H	α-helix	trans	-62	-48.3	174.8	-177.6	177.2	173.9	-179.8	0	111.5	G32 I33 I34 I38 E39 E40 K215	G32-K36 WeakPolarHBondContact O-CB 3.27Å; G32-K36 PolarHBondContact O-N 3.48Å; I33-K36 PolarHBondContact O-N 2.9Å; I34-K36 VanDerWaalsContact C-N 3.31Å; I34-K36 PolarHBondContact O-N 2.86Å; K36-I38 VanDerWaalsContact C-N 3.32Å; K36-I38 PolarHBondContact O-N 2.78Å; K36-E39 PolarHBondContact O-N 3.4Å; K36-E40 WeakPolarHBondContact CE-OE1 3.12Å; K36-E40 WeakPolarHBondContact O-CG 3.39Å; K36-E40 PolarHBondContact O-N 3.18Å; K36-K215 HydrophobicContact CD-CD 4.29Å
37	M	98.1	Very high	96.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-36.7	178.3	-65.7	176.3	69.9	0	0	112.8	L14 R16 M18 I33 I34 A41 V80 V82	L14-M37 HydrophobicContact CD2-CB 4.2Å; L14-M37 HydrophobicContact CD2-CE 3.4Å; L14-M37 VanDerWaalsContact CD2-CE 3.4Å; L14-M37 HydrophobicContact CD2-CG 4.39Å; R16-M37 HydrophobicContact CB-CE 3.8Å; M18-M37 HydrophobicContact CE-CE 4.03Å; M18-M37 HydrophobicContact CE-SD 3.73Å; M18-M37 HydrophobicContact SD-SD 4.39Å; I33-M37 HydrophobicContact CG2-SD 4.41Å; I33-M37 WeakPolarHBondContact O-CG 3.41Å; I33-M37 PolarHBondContact O-N 2.91Å; I34-M37 PolarHBondContact O-N 2.84Å; M37-A41 PolarHBondContact O-N 3Å; M37-V80 HydrophobicContact CE-CB 4.1Å; M37-V80 HydrophobicContact CE-CG1 3.87Å; M37-V80 HydrophobicContact SD-CG1 4.3Å; M37-V82 HydrophobicContact CB-CG2 4.03Å; M37-V82 HydrophobicContact CE-CG2 3.96Å
38	I	98.1	Very high	97.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-46.9	173.8	-73.2	167.1	0	0	0	110.5	I34 L35 K36 A41 G42 V98 V100 N114 A116 L118	I34-I38 HydrophobicContact CG2-CD1 3.82Å; I34-I38 HydrophobicContact CG2-CG1 4.38Å; I34-I38 WeakPolarHBondContact O-CB 3.39Å; I34-I38 VanDerWaalsContact O-CG1 3.24Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 2.67Å; L35-I38 PolarHBondContact O-N 3.22Å; K36-I38 VanDerWaalsContact C-N 3.32Å; K36-I38 PolarHBondContact O-N 2.78Å; I38-A41 PolarHBondContact O-N 3.43Å; I38-G42 PolarHBondContact O-N 2.7Å; I38-V98 HydrophobicContact CB-CG1 4.34Å; I38-V98 HydrophobicContact CG1-CG1 3.94Å; I38-V98 HydrophobicContact CG2-CB 4.02Å; I38-V98 HydrophobicContact CG2-CG1 4.11Å; I38-V98 HydrophobicContact CG2-CG2 4.05Å; I38-V100 HydrophobicContact CD1-CG2 3.81Å; I38-V100 HydrophobicContact CG1-CG2 3.63Å; I38-N114 VanDerWaalsContact CD1-OD1 3.23Å; I38-N114 WeakPolarHBondContact CD1-OD1 3.19Å; I38-A116 HydrophobicContact CD1-CB 4.14Å; I38-A116 HydrophobicContact CG2-CB 3.97Å; I38-L118 HydrophobicContact CG2-CD1 3.38Å; I38-L118 HydrophobicContact CG2-CD2 3.93Å; I38-L118 HydrophobicContact CG2-CG 4.29Å
39	E	97.7	Very high	97.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	11%	0.107	C	C	.	.	H	α-helix	trans	-67.5	-40.1	179.6	-169	-88.1	148.7	0	0	112.5	L35 K36 A41 G42 S43 L62 Y120 G211 M214	L35-E39 PolarHBondContact O-N 3Å; K36-E39 PolarHBondContact O-N 3.4Å; E39-A41 PolarHBondContact O-N 3.35Å; E39-G42 PolarHBondContact O-N 3.5Å; E39-S43 VanDerWaalsContact O-CB 3.3Å; E39-S43 WeakPolarHBondContact O-CB 3.36Å; E39-S43 PolarHBondContact O-N 3.02Å; E39-L62 HydrophobicContact CG-CB 4.39Å; E39-L62 HydrophobicContact CG-CD2 3.59Å; E39-Y120 PolarHBondContact O-OH 3.02Å; E39-G211 PolarHBondContact OE2-N 3.36Å; E39-M214 HydrophobicContact CB-CE 3.71Å; E39-M214 HydrophobicContact CG-CE 4.08Å
40	E	97.4	Very high	97.2	Very high	58 Å²	58	22.3 Å²	22.3	27%	0.271	11%	0.105	S	C	.	.	H	α-helix	trans	-57.6	-49.5	174.6	-75.2	171.5	173	0	0	110.7	K36 G42 S43 I44	K36-E40 WeakPolarHBondContact CE-OE1 3.12Å; K36-E40 WeakPolarHBondContact O-CG 3.39Å; K36-E40 PolarHBondContact O-N 3.18Å; E40-G42 PolarHBondContact O-N 3.34Å; E40-S43 PolarHBondContact O-N 3.45Å; E40-I44 WeakPolarHBondContact O-CB 3.28Å; E40-I44 WeakPolarHBondContact O-CD1 3.37Å; E40-I44 WeakPolarHBondContact O-CG1 3Å; E40-I44 PolarHBondContact O-N 3.15Å
41	A	97.9	Very high	97.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-44.7	177.7	0	0	0	0	0	111.9	L12 M37 I38 E39 I44 I45 V82 A84	L12-A41 HydrophobicContact CD2-CB 4.17Å; L12-A41 VanDerWaalsContact CD2-O 3.22Å; L12-A41 WeakPolarHBondContact CD2-O 3.17Å; M37-A41 PolarHBondContact O-N 3Å; I38-A41 PolarHBondContact O-N 3.43Å; E39-A41 PolarHBondContact O-N 3.35Å; A41-I44 PolarHBondContact O-N 2.88Å; A41-I45 WeakPolarHBondContact O-CG2 3.38Å; A41-I45 PolarHBondContact O-N 3.44Å; A41-I45 VanDerWaalsContact O-N 3.11Å; A41-V82 HydrophobicContact CB-CB 4.47Å; A41-V82 HydrophobicContact CB-CG1 3.61Å; A41-A84 HydrophobicContact CB-CB 3.95Å
42	G	97.8	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-40.4	178.3	0	0	0	0	0	113.7	I38 E39 E40 I45 G46 Y120	I38-G42 PolarHBondContact O-N 2.7Å; E39-G42 PolarHBondContact O-N 3.5Å; E40-G42 PolarHBondContact O-N 3.34Å; G42-I45 WeakPolarHBondContact O-CG2 3.45Å; G42-G46 PolarHBondContact O-N 3.19Å; G42-Y120 WeakPolarHBondContact CA-OH 3.41Å
43	S	96.9	Very high	96.1	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-41.9	177.9	-174.8	0	0	0	0	111.4	E39 E40 T47 A60 Y120	E39-S43 VanDerWaalsContact O-CB 3.3Å; E39-S43 WeakPolarHBondContact O-CB 3.36Å; E39-S43 PolarHBondContact O-N 3.02Å; E40-S43 PolarHBondContact O-N 3.45Å; S43-T47 WeakPolarHBondContact O-CB 3.4Å; S43-T47 PolarHBondContact O-N 3.44Å; S43-T47 PolarHBondContact O-OG1 2.84Å; S43-A60 PolarHBondContact OG-O 2.82Å; S43-Y120 PolarHBondContact N-OH 2.81Å
44	I	97.4	Very high	95.1	Very high	73 Å²	73	37.1 Å²	37.1	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-51.9	178.1	-69.6	163.7	0	0	0	110.6	L12 E40 A41 R48	L12-I44 HydrophobicContact CD1-CG2 4.06Å; L12-I44 HydrophobicContact CD2-CB 3.67Å; L12-I44 HydrophobicContact CD2-CD1 4.38Å; L12-I44 HydrophobicContact CD2-CG2 3.58Å; L12-I44 HydrophobicContact CG-CG2 4.49Å; E40-I44 WeakPolarHBondContact O-CB 3.28Å; E40-I44 WeakPolarHBondContact O-CD1 3.37Å; E40-I44 WeakPolarHBondContact O-CG1 3Å; E40-I44 PolarHBondContact O-N 3.15Å; A41-I44 PolarHBondContact O-N 2.88Å; I44-R48 VanDerWaalsContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CB 3.44Å; I44-R48 PolarHBondContact O-N 2.88Å
45	I	97.4	Very high	94.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-42.3	-176.4	-163.1	174.5	0	0	0	111.7	S10 L12 A41 G42 R48 H49 A84 I86 V96	S10-I45 VanDerWaalsContact O-CD1 3.26Å; S10-I45 WeakPolarHBondContact O-CD1 3.45Å; L12-I45 HydrophobicContact CB-CB 4.09Å; L12-I45 HydrophobicContact CB-CD1 3.98Å; L12-I45 HydrophobicContact CB-CG1 4.27Å; L12-I45 HydrophobicContact CD2-CB 4.3Å; A41-I45 WeakPolarHBondContact O-CG2 3.38Å; A41-I45 PolarHBondContact O-N 3.44Å; A41-I45 VanDerWaalsContact O-N 3.11Å; G42-I45 WeakPolarHBondContact O-CG2 3.45Å; I45-R48 PolarHBondContact O-N 2.9Å; I45-H49 WeakPolarHBondContact O-CB 3.4Å; I45-H49 PolarHBondContact O-N 3.12Å; I45-A84 WeakPolarHBondContact CD1-O 3.23Å; I45-A84 HydrophobicContact CG2-CB 4.17Å; I45-I86 HydrophobicContact CD1-CD1 4.5Å; I45-I86 HydrophobicContact CD1-CG1 4.13Å; I45-I86 HydrophobicContact CG1-CD1 4.03Å; I45-I86 HydrophobicContact CG1-CG1 4.09Å; I45-I86 HydrophobicContact CG2-CG1 4.31Å; I45-V96 HydrophobicContact CG2-CG1 3.85Å; I45-V96 HydrophobicContact CG2-CG2 4.04Å
46	G	96.9	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-44.3	177.2	0	0	0	0	0	112.1	G42 H49 C50	G42-G46 PolarHBondContact O-N 3.19Å; G46-H49 PolarHBondContact O-N 2.9Å; G46-C50 WeakPolarHBondContact O-CB 3.27Å; G46-C50 PolarHBondContact O-N 3.26Å; G46-C50 PolarHBondContact O-SG 3.1Å
47	T	96.5	Very high	93.7	Very high	28 Å²	28	44.4 Å²	44.4	17%	0.172	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-44	177.2	-61.8	0	0	0	0	110.9	S43 H49 C50 N51 L59 A60	S43-T47 WeakPolarHBondContact O-CB 3.4Å; S43-T47 PolarHBondContact O-N 3.44Å; S43-T47 PolarHBondContact O-OG1 2.84Å; T47-H49 PolarHBondContact O-N 2.85Å; T47-C50 PolarHBondContact O-N 2.86Å; T47-N51 PolarHBondContact O-N 3.25Å; T47-N51 PolarHBondContact O-ND2 3.45Å; T47-L59 HydrophobicContact CG2-CD1 3.98Å; T47-A60 WeakPolarHBondContact OG1-CB 3.23Å; T47-A60 PolarHBondContact OG1-N 2.84Å
48	R	96.5	Very high	93.6	Very high	110 Å²	110	44.5 Å²	44.5	42%	0.415	23%	0.232	S	C	.	.	H	α-helix	trans	-58.5	-48.9	176.9	-174.6	-173.6	-60.8	141.7	0.5	111.2	I44 I45 N51	I44-R48 VanDerWaalsContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CB 3.44Å; I44-R48 PolarHBondContact O-N 2.88Å; I45-R48 PolarHBondContact O-N 2.9Å; R48-N51 PolarHBondContact O-N 2.79Å
49	H	96.1	Very high	93.5	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.065	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-46.3	-179.2	178.6	67.7	0	0	0	112.8	I45 G46 T47 N51 T52 I86 P135 I137	I45-H49 WeakPolarHBondContact O-CB 3.4Å; I45-H49 PolarHBondContact O-N 3.12Å; G46-H49 PolarHBondContact O-N 2.9Å; T47-H49 PolarHBondContact O-N 2.85Å; H49-N51 PolarHBondContact O-N 3.48Å; H49-N51 VanDerWaalsContact O-N 3.12Å; H49-T52 WeakPolarHBondContact O-CB 3.3Å; H49-T52 VanDerWaalsContact O-CG2 3.28Å; H49-T52 WeakPolarHBondContact O-CG2 3.2Å; H49-T52 PolarHBondContact O-N 3.5Å; H49-T52 VanDerWaalsContact O-N 3.12Å; H49-T52 PolarHBondContact O-OG1 3.07Å; H49-I86 HydrophobicContact CB-CD1 3.29Å; H49-P135 PolarHBondContact NE2-O 2.88Å; H49-I137 VanDerWaalsContact CE1-CG2 3.44Å; H49-I137 WeakPolarHBondContact CE1-CG2 3.44Å
50	C	95.4	Very high	93.4	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-15	-179.7	-67.5	0	0	0	0	113.8	G46 T47 C58 L94 P122	G46-C50 WeakPolarHBondContact O-CB 3.27Å; G46-C50 PolarHBondContact O-N 3.26Å; G46-C50 PolarHBondContact O-SG 3.1Å; T47-C50 PolarHBondContact O-N 2.86Å; C50-C58 WeakPolarHBondContact CB-SG 3.47Å; C50-L94 WeakPolarHBondContact SG-CD2 3.33Å; C50-P122 HydrophobicContact CB-CB 4Å
51	N	95.3	Very high	93.4	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	13.8	177.4	-73.7	-82.5	0	0	0	113.4	T47 R48 H49 Q53 R57 C58	T47-N51 PolarHBondContact O-N 3.25Å; T47-N51 PolarHBondContact O-ND2 3.45Å; R48-N51 PolarHBondContact O-N 2.79Å; H49-N51 PolarHBondContact O-N 3.48Å; H49-N51 VanDerWaalsContact O-N 3.12Å; N51-Q53 VanDerWaalsContact C-N 3.34Å; N51-R57 PolarHBondContact O-NH1 3.45Å; N51-R57 WeakPolarHBondContact OD1-CA 3.36Å; N51-R57 WeakPolarHBondContact OD1-CD 3.34Å; N51-C58 PolarHBondContact ND2-O 3.38Å; N51-C58 PolarHBondContact OD1-N 2.79Å; N51-C58 VanDerWaalsContact OD1-N 3.14Å
52	T	91	Very high	93.3	Very high	81 Å²	81	45 Å²	45	50%	0.497	24%	0.241	S	C	.	.	S	Bend	trans	-73.2	-23.8	176.4	53.9	0	0	0	0	113.6	H49	H49-T52 WeakPolarHBondContact O-CB 3.3Å; H49-T52 VanDerWaalsContact O-CG2 3.28Å; H49-T52 WeakPolarHBondContact O-CG2 3.2Å; H49-T52 PolarHBondContact O-N 3.5Å; H49-T52 VanDerWaalsContact O-N 3.12Å; H49-T52 PolarHBondContact O-OG1 3.07Å
53	Q	80.6	Confident	93.2	Very high	114 Å²	114	46.7 Å²	46.7	53%	0.533	25%	0.251	S	S	.	.	S	Bend	trans	-93.6	153	176.3	-63.5	-173.3	-0.4	0	0	111.5	N51 P135	N51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-P135 HydrophobicContact CG-CB 4.09Å; Q53-P135 HydrophobicContact CG-CG 3.81Å
54	N	75.9	Confident	93.1	Very high	170 Å²	170	47 Å²	47	91%	0.909	25%	0.251	S	S	*	.	S	Bend	trans	-70.4	128.4	172.5	-70.1	-28.2	0	0	0	109.7
55	G	81.5	Confident	93.1	Very high	58 Å²	58	43.7 Å²	43.7	60%	0.598	23%	0.234	S	C	*	.	S	Bend	trans	163.2	-163.4	-179.4	0	0	0	0	0	112.7
56	D	88.6	Confident	93	Very high	30 Å²	30	45.7 Å²	45.7	16%	0.16	24%	0.244	C	C	.	.	S	Bend	trans	-59.4	140.6	171.9	-169.7	8.8	0	0	0	110.3	S124 Q126 M132	D56-S124 WeakPolarHBondContact OD2-CB 3.38Å; D56-S124 PolarHBondContact OD2-OG 3.4Å; D56-Q126 VanDerWaalsContact OD1-CD 3.28Å; D56-Q126 VanDerWaalsContact OD1-CG 3.28Å; D56-Q126 WeakPolarHBondContact OD1-CG 3.25Å; D56-Q126 PolarHBondContact OD1-NE2 3.04Å; D56-M132 HydrophobicContact CB-CE 3.86Å; D56-M132 HydrophobicContact CB-SD 4Å; D56-M132 VanDerWaalsContact O-CE 3.27Å; D56-M132 WeakPolarHBondContact O-CE 3.48Å
57	R	94.7	Very high	92.8	Very high	137 Å²	137	47.1 Å²	47.1	52%	0.517	25%	0.25	S	C	.	.			trans	-80.6	145.5	-179.7	-64.3	-60.2	-173.1	-177.5	-0.7	108.7	N51 L125	N51-R57 PolarHBondContact O-NH1 3.45Å; N51-R57 WeakPolarHBondContact OD1-CA 3.36Å; N51-R57 WeakPolarHBondContact OD1-CD 3.34Å; R57-L125 HydrophobicContact CB-CD1 3.7Å; R57-L125 HydrophobicContact CB-CG 4.18Å; R57-L125 WeakPolarHBondContact O-CG 3.43Å; R57-L125 PolarHBondContact O-N 2.85Å
58	C	95.2	Very high	92.6	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163.6	-179.4	64.2	0	0	0	0	113.3	C50 N51 P122 C123 M132	C50-C58 WeakPolarHBondContact CB-SG 3.47Å; N51-C58 PolarHBondContact ND2-O 3.38Å; N51-C58 PolarHBondContact OD1-N 2.79Å; N51-C58 VanDerWaalsContact OD1-N 3.14Å; C58-P122 HydrophobicContact CB-CB 4.07Å; C58-C123 CarbonylContact C-O 3.53Å; C58-C123 WeakPolarHBondContact CA-O 3.46Å; C58-C123 WeakPolarHBondContact CB-O 3.42Å; C58-M132 HydrophobicContact CB-CG 4.48Å; C58-M132 HydrophobicContact CB-SD 3.63Å
59	L	96.2	Very high	92.4	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.131	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.9	167.2	-169.2	75.4	0	0	0	109.3	T47 A61 P122 C123 L125 T203 V205	T47-L59 HydrophobicContact CG2-CD1 3.98Å; L59-A61 PolarHBondContact O-N 3.43Å; L59-P122 WeakPolarHBondContact O-CA 3.26Å; L59-C123 PolarHBondContact N-O 3.41Å; L59-C123 PolarHBondContact O-N 3.25Å; L59-L125 HydrophobicContact CB-CD2 4.07Å; L59-T203 VanDerWaalsContact CD2-CB 3.5Å; L59-T203 HydrophobicContact CD2-CG2 3.5Å; L59-V205 HydrophobicContact CD2-CG2 4.07Å
60	A	96.6	Very high	92.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	106.5	172.8	0	0	0	0	0	109.7	S43 T47 Y120	S43-A60 PolarHBondContact OG-O 2.82Å; T47-A60 WeakPolarHBondContact OG1-CB 3.23Å; T47-A60 PolarHBondContact OG1-N 2.84Å; A60-Y120 HydrophobicContact CB-CD1 4Å; A60-Y120 HydrophobicContact CB-CG 4.3Å
61	A	96.2	Very high	92.3	Very high	33 Å²	33	47.5 Å²	47.5	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.5	176.3	0	0	0	0	0	110.3	L59 V63 Y120 V121	L59-A61 PolarHBondContact O-N 3.43Å; A61-V63 PolarHBondContact O-N 3.37Å; A61-Y120 VanDerWaalsContact O-CA 3.3Å; A61-Y120 WeakPolarHBondContact O-CA 3.38Å; A61-V121 PolarHBondContact N-O 2.99Å; A61-V121 PolarHBondContact O-N 3.18Å
62	L	97.3	Very high	92.2	Very high	16 Å²	16	47.5 Å²	47.5	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.4	174.6	179.6	62.3	0	0	0	109.7	E39 R64 V65 L118 Y120 M214 F243	E39-L62 HydrophobicContact CG-CB 4.39Å; E39-L62 HydrophobicContact CG-CD2 3.59Å; L62-R64 WeakPolarHBondContact CD1-O 3.34Å; L62-V65 HydrophobicContact CD1-CG2 4.03Å; L62-V65 HydrophobicContact CD2-CG2 3.72Å; L62-V65 HydrophobicContact CG-CG2 4.32Å; L62-L118 HydrophobicContact CD1-CB 3.99Å; L62-L118 HydrophobicContact CD1-CD2 3.83Å; L62-L118 HydrophobicContact CD1-CG 4.33Å; L62-L118 HydrophobicContact CD2-CD2 4.33Å; L62-Y120 HydrophobicContact CB-CD1 4.14Å; L62-Y120 HydrophobicContact CB-CE1 3.75Å; L62-Y120 HydrophobicContact CD1-CD1 4.5Å; L62-Y120 HydrophobicContact CD1-CE1 4.09Å; L62-Y120 HydrophobicContact CD1-CE2 4.16Å; L62-M214 HydrophobicContact CD2-CE 3.91Å; L62-F243 HydrophobicContact CD2-CD2 4.13Å; L62-F243 HydrophobicContact CD2-CE2 3.37Å; L62-F243 HydrophobicContact CD2-CZ 3.61Å; L62-F243 HydrophobicContact CG-CD2 3.96Å; L62-F243 HydrophobicContact CG-CE2 3.71Å; L62-F243 HydrophobicContact CG-CZ 4.3Å
63	V	94.7	Very high	92.3	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-25.6	177.3	-63.9	0	0	0	0	113.1	A61 W119 V121 F243	A61-V63 PolarHBondContact O-N 3.37Å; V63-W119 HydrophobicContact CG2-CB 4.03Å; V63-W119 WeakPolarHBondContact CG2-O 3.48Å; V63-W119 PolarHBondContact N-O 2.89Å; V63-V121 HydrophobicContact CB-CG2 4.4Å; V63-V121 HydrophobicContact CG1-CB 3.97Å; V63-V121 HydrophobicContact CG1-CG2 3.7Å; V63-V121 HydrophobicContact CG2-CG2 3.81Å; V63-F243 PolarHBondContact O-N 3.32Å
64	R	95.2	Very high	93	Very high	14 Å²	14	41.4 Å²	41.4	5%	0.053	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	141.9	-178.7	176.5	176	174.6	79.7	4.9	111.9	L62 E66 L118 W119 A240 I241 N242	L62-R64 WeakPolarHBondContact CD1-O 3.34Å; R64-E66 WeakPolarHBondContact CD-OE1 3.31Å; R64-E66 IonicContact CZ-OE1 3.85Å; R64-E66 IonicContact CZ-OE2 3.29Å; R64-E66 IonicContact NE-OE1 2.78Å; R64-E66 PolarHBondContact NE-OE1 3.45Å; R64-E66 IonicContact NE-OE2 2.88Å; R64-E66 PolarHBondContact NE-OE2 2.87Å; R64-E66 IonicContact NH2-OE1 3.74Å; R64-E66 IonicContact NH2-OE2 2.69Å; R64-E66 PolarHBondContact NH2-OE2 2.81Å; R64-L118 WeakPolarHBondContact O-CA 3.22Å; R64-W119 HydrophobicContact CB-CB 4.16Å; R64-W119 PolarHBondContact N-O 2.8Å; R64-W119 PolarHBondContact O-N 3.15Å; R64-A240 VanDerWaalsContact NH2-CB 3.25Å; R64-I241 VanDerWaalsContact CA-O 3.26Å; R64-I241 WeakPolarHBondContact CA-O 3.36Å; R64-N242 PolarHBondContact NH1-ND2 3.08Å; R64-N242 PolarHBondContact NH1-OD1 3.35Å
65	V	96.9	Very high	94	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.8	167	-176.8	0	0	0	0	106.8	L62 L118 M214 A240 I241 F243	L62-V65 HydrophobicContact CD1-CG2 4.03Å; L62-V65 HydrophobicContact CD2-CG2 3.72Å; L62-V65 HydrophobicContact CG-CG2 4.32Å; V65-L118 HydrophobicContact CG1-CG 4.4Å; V65-L118 HydrophobicContact CG2-CD2 4.04Å; V65-L118 HydrophobicContact CG2-CG 4.2Å; V65-M214 HydrophobicContact CG2-CE 4.31Å; V65-M214 HydrophobicContact CG2-SD 3.8Å; V65-A240 CarbonylContact O-C 3.56Å; V65-A240 VanDerWaalsContact O-CA 3.24Å; V65-A240 WeakPolarHBondContact O-CA 3.44Å; V65-I241 HydrophobicContact CB-CB 4.14Å; V65-I241 HydrophobicContact CB-CD1 4.43Å; V65-I241 HydrophobicContact CB-CG1 4.29Å; V65-I241 PolarHBondContact N-O 2.87Å; V65-I241 PolarHBondContact O-N 3.22Å; V65-F243 HydrophobicContact CG2-CE2 4.2Å
66	E	95.6	Very high	94.7	Very high	42 Å²	42	36.7 Å²	36.7	20%	0.196	19%	0.187	C	C	.	.			trans	-69	162.6	172.3	-64.5	-56.6	154	0	0	110.6	R64 T68 A117 W119 Q155	R64-E66 WeakPolarHBondContact CD-OE1 3.31Å; R64-E66 IonicContact CZ-OE1 3.85Å; R64-E66 IonicContact CZ-OE2 3.29Å; R64-E66 IonicContact NE-OE1 2.78Å; R64-E66 PolarHBondContact NE-OE1 3.45Å; R64-E66 IonicContact NE-OE2 2.88Å; R64-E66 PolarHBondContact NE-OE2 2.87Å; R64-E66 IonicContact NH2-OE1 3.74Å; R64-E66 IonicContact NH2-OE2 2.69Å; R64-E66 PolarHBondContact NH2-OE2 2.81Å; E66-T68 PolarHBondContact O-N 2.87Å; E66-T68 PolarHBondContact O-OG1 3.48Å; E66-A117 HydrophobicContact CB-CB 4.07Å; E66-A117 WeakPolarHBondContact CB-O 3.42Å; E66-A117 HydrophobicContact CG-CB 4Å; E66-A117 PolarHBondContact N-O 2.87Å; E66-W119 PolarHBondContact OE1-NE1 3.23Å; E66-Q155 WeakPolarHBondContact OE1-CB 3.35Å
67	K	92.6	Very high	95.1	Very high	30 Å²	30	37 Å²	37	13%	0.13	20%	0.198	C	C	.	.			trans	-51.6	129.5	177.1	171.6	161.3	170.1	-168	0	110.6	E69 V238 D239 N331	K67-E69 WeakPolarHBondContact CE-OE1 3.41Å; K67-E69 IonicContact NZ-OE1 3.1Å; K67-V238 WeakPolarHBondContact CA-O 3.46Å; K67-D239 WeakPolarHBondContact CD-OD1 3.29Å; K67-N331 PolarHBondContact NZ-ND2 2.83Å; K67-N331 PolarHBondContact NZ-OD1 2.91Å
68	T	93.4	Very high	95.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.8	-171	-68.4	0	0	0	0	109.5	L35 E66 N114 A116 S237 V238	L35-T68 HydrophobicContact CD2-CG2 4.44Å; E66-T68 PolarHBondContact O-N 2.87Å; E66-T68 PolarHBondContact O-OG1 3.48Å; T68-N114 WeakPolarHBondContact CG2-ND2 3.5Å; T68-N114 WeakPolarHBondContact CG2-OD1 3.35Å; T68-A116 HydrophobicContact CG2-CB 4Å; T68-A116 WeakPolarHBondContact OG1-CB 3.45Å; T68-S237 CarbonylContact O-C 3.56Å; T68-S237 WeakPolarHBondContact O-CA 3.36Å; T68-S237 VanDerWaalsContact O-CB 3.3Å; T68-S237 WeakPolarHBondContact O-CB 3.36Å; T68-V238 PolarHBondContact N-O 3.27Å; T68-V238 PolarHBondContact O-N 2.81Å
69	E	92.6	Very high	95.5	Very high	45 Å²	45	32.1 Å²	32.1	21%	0.21	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.4	-179.2	-61.1	-168.3	168.1	0	0	110.8	K67 L71 N114 R334	K67-E69 WeakPolarHBondContact CE-OE1 3.41Å; K67-E69 IonicContact NZ-OE1 3.1Å; E69-L71 HydrophobicContact CB-CD2 3.94Å; E69-L71 PolarHBondContact O-N 3Å; E69-N114 PolarHBondContact O-ND2 3.13Å; E69-N114 VanDerWaalsContact O-ND2 3.15Å; E69-R334 IonicContact OE1-NH2 3.34Å
70	F	94.5	Very high	95.6	Very high	38 Å²	38	31 Å²	31	17%	0.167	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.8	173.5	-67.1	-90.8	0	0	0	108.5	I34 L35 A113 T235 A236 V238	I34-F70 HydrophobicContact CB-CE1 3.96Å; I34-F70 HydrophobicContact CG1-CE1 4.4Å; I34-F70 HydrophobicContact CG2-CE1 4Å; L35-F70 HydrophobicContact CD2-CZ 4.33Å; L35-F70 HydrophobicContact CG-CZ 4.12Å; F70-A113 CarbonylContact C-O 3.57Å; F70-T235 VanDerWaalsContact CB-O 3.26Å; F70-T235 WeakPolarHBondContact CB-O 3.03Å; F70-T235 HydrophobicContact CD2-CG2 3.92Å; F70-T235 WeakPolarHBondContact CD2-O 3.37Å; F70-T235 HydrophobicContact CE2-CG2 3.57Å; F70-T235 WeakPolarHBondContact CG-O 3.47Å; F70-T235 HydrophobicContact CZ-CG2 4.34Å; F70-A236 PolarHBondContact N-O 3.39Å; F70-V238 HydrophobicContact CE2-CG2 4.08Å
71	L	93.8	Very high	95.6	Very high	86 Å²	86	32.2 Å²	32.2	45%	0.45	18%	0.182	S	C	.	.			trans	-80.5	-34.6	-170.6	-54.7	-179.1	0	0	0	112.3	E69 L112 A113	E69-L71 HydrophobicContact CB-CD2 3.94Å; E69-L71 PolarHBondContact O-N 3Å; L71-L112 HydrophobicContact CD1-CD2 3.54Å; L71-L112 HydrophobicContact CD1-CG 3.91Å; L71-A113 PolarHBondContact N-O 3Å
72	S	93.4	Very high	95.7	Very high	34 Å²	34	30.7 Å²	30.7	24%	0.238	17%	0.169	C	C	.	.	S	Bend	trans	-139.2	140.3	178	-51.4	0	0	0	0	110.3	L112 A113	S72-L112 WeakPolarHBondContact CB-O 3.5Å; S72-L112 PolarHBondContact OG-O 2.76Å; S72-A113 PolarHBondContact N-O 2.97Å
73	P	92.6	Very high	95.8	Very high	59 Å²	59	32.4 Å²	32.4	38%	0.383	18%	0.178	S	C	.	.			trans	-65.1	147.7	174.8	28.8	-34.7	0	0	0	110.3	F75 K111	P73-F75 HydrophobicContact CB-CE1 4.48Å; P73-F75 HydrophobicContact CB-CE2 4.12Å; P73-F75 HydrophobicContact CB-CZ 3.89Å; P73-F75 HydrophobicContact CG-CE2 3.82Å; P73-F75 HydrophobicContact CG-CZ 3.69Å; P73-K111 WeakPolarHBondContact O-CE 3.39Å; P73-K111 PolarHBondContact O-NZ 3.42Å
74	V	95.8	Very high	95.9	Very high	9 Å²	9	31 Å²	31	6%	0.055	17%	0.17	C	C	.	.			trans	-108.4	141.5	171.4	-175.8	0	0	0	0	108.1	M18 V29 I34 E78 V80 A102 A113	M18-V74 HydrophobicContact CG-CG1 3.86Å; V29-V74 HydrophobicContact CB-CB 4Å; V29-V74 HydrophobicContact CB-CG1 4.23Å; V29-V74 HydrophobicContact CG2-CB 4.11Å; V29-V74 HydrophobicContact CG2-CG1 3.85Å; V29-V74 PolarHBondContact N-O 2.85Å; I34-V74 HydrophobicContact CD1-CG2 4.28Å; V74-E78 WeakPolarHBondContact CA-OE2 3.37Å; V74-E78 HydrophobicContact CG1-CB 4.37Å; V74-V80 HydrophobicContact CG1-CG2 3.54Å; V74-A102 HydrophobicContact CB-CB 4.43Å; V74-A102 HydrophobicContact CG1-CB 4.05Å; V74-A102 HydrophobicContact CG2-CB 3.86Å; V74-A113 HydrophobicContact CG2-CB 3.53Å
75	F	96.1	Very high	96	Very high	58 Å²	58	35.5 Å²	35.5	25%	0.254	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-118.8	157.8	-176.7	-58.8	-81.3	0	0	0	112.5	G27 N28 P73 G77 E78	G27-F75 WeakPolarHBondContact O-CA 3.49Å; N28-F75 WeakPolarHBondContact ND2-CE1 3.4Å; P73-F75 HydrophobicContact CB-CE1 4.48Å; P73-F75 HydrophobicContact CB-CE2 4.12Å; P73-F75 HydrophobicContact CB-CZ 3.89Å; P73-F75 HydrophobicContact CG-CE2 3.82Å; P73-F75 HydrophobicContact CG-CZ 3.69Å; F75-G77 PolarHBondContact O-N 3.18Å; F75-E78 HydrophobicContact CB-CG 4.34Å; F75-E78 PolarHBondContact N-OE2 3.36Å; F75-E78 WeakPolarHBondContact O-CB 3.35Å; F75-E78 PolarHBondContact O-N 3.45Å; F75-E78 VanDerWaalsContact O-N 3.12Å
76	I	97.5	Very high	96.1	Very high	71 Å²	71	35.6 Å²	35.6	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	137.2	170.3	-60.5	168.1	0	0	0	109.8	P20 A23 G27 E78	P20-I76 HydrophobicContact CB-CD1 4.44Å; P20-I76 HydrophobicContact CG-CG2 4.28Å; A23-I76 HydrophobicContact CB-CD1 3.8Å; A23-I76 HydrophobicContact CB-CG1 3.46Å; A23-I76 VanDerWaalsContact CB-CG1 3.46Å; G27-I76 PolarHBondContact O-N 2.8Å; I76-E78 VanDerWaalsContact C-N 3.25Å; I76-E78 PolarHBondContact O-N 2.62Å
77	G	97.1	Very high	96.2	Very high	37 Å²	37	34.5 Å²	34.5	38%	0.381	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-12.8	-179.8	0	0	0	0	0	114.7	M18 F75	M18-G77 PolarHBondContact O-N 3.13Å; F75-G77 PolarHBondContact O-N 3.18Å
78	E	98.3	Very high	96.4	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.07	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-72	147.8	168.3	-64.1	-173.4	143.9	0	0	110.5	M18 V74 F75 I76 E103 K111	M18-E78 WeakPolarHBondContact CG-O 3.45Å; M18-E78 PolarHBondContact N-O 3.39Å; V74-E78 WeakPolarHBondContact CA-OE2 3.37Å; V74-E78 HydrophobicContact CG1-CB 4.37Å; F75-E78 HydrophobicContact CB-CG 4.34Å; F75-E78 PolarHBondContact N-OE2 3.36Å; F75-E78 WeakPolarHBondContact O-CB 3.35Å; F75-E78 PolarHBondContact O-N 3.45Å; F75-E78 VanDerWaalsContact O-N 3.12Å; I76-E78 VanDerWaalsContact C-N 3.25Å; I76-E78 PolarHBondContact O-N 2.62Å; E78-E103 CarbonylContact C-O 3.6Å; E78-E103 VanDerWaalsContact CA-O 3.27Å; E78-E103 WeakPolarHBondContact CA-O 3.2Å; E78-E103 WeakPolarHBondContact CB-O 3.43Å; E78-K111 VanDerWaalsContact OE1-CE 3.28Å; E78-K111 WeakPolarHBondContact OE1-CE 3.37Å; E78-K111 IonicContact OE1-NZ 2.6Å; E78-K111 PolarHBondContact OE1-NZ 3.43Å; E78-K111 WeakPolarHBondContact OE2-CE 3.24Å; E78-K111 IonicContact OE2-NZ 3.65Å; E78-K111 PolarHBondContact OE2-NZ 3.31Å
79	V	98.4	Very high	96.6	Very high	23 Å²	23	34.7 Å²	34.7	14%	0.139	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.1	170.1	176.3	0	0	0	0	108.6	C15 V17 E103 I105	C15-V79 HydrophobicContact CB-CG1 4.38Å; V17-V79 HydrophobicContact CB-CG2 4.36Å; V79-E103 HydrophobicContact CB-CB 4.49Å; V79-E103 PolarHBondContact N-O 2.85Å; V79-E103 PolarHBondContact O-N 3.13Å; V79-I105 HydrophobicContact CB-CG2 4.07Å; V79-I105 HydrophobicContact CG2-CD1 4.32Å; V79-I105 HydrophobicContact CG2-CG2 3.48Å; V79-I105 VanDerWaalsContact CG2-CG2 3.48Å
80	V	98.4	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.9	174.3	173	0	0	0	0	109.1	C15 R16 M18 I34 M37 V74 V82 V100 I101	C15-V80 VanDerWaalsContact CA-O 3.23Å; C15-V80 WeakPolarHBondContact CA-O 3.36Å; R16-V80 PolarHBondContact N-O 3.23Å; R16-V80 PolarHBondContact O-N 3.41Å; M18-V80 HydrophobicContact CE-CB 3.89Å; M18-V80 HydrophobicContact CE-CG2 3.89Å; M18-V80 HydrophobicContact CG-CB 4.47Å; M18-V80 HydrophobicContact CG-CG2 3.54Å; M18-V80 HydrophobicContact SD-CB 4.26Å; M18-V80 HydrophobicContact SD-CG2 3.6Å; M18-V80 VanDerWaalsContact SD-CG2 3.6Å; I34-V80 HydrophobicContact CD1-CG1 4.32Å; I34-V80 HydrophobicContact CD1-CG2 4.15Å; M37-V80 HydrophobicContact CE-CB 4.1Å; M37-V80 HydrophobicContact CE-CG1 3.87Å; M37-V80 HydrophobicContact SD-CG1 4.3Å; V74-V80 HydrophobicContact CG1-CG2 3.54Å; V80-V82 HydrophobicContact CG1-CG2 3.86Å; V80-V100 HydrophobicContact CG1-CG1 3.42Å; V80-V100 VanDerWaalsContact CG1-CG1 3.42Å; V80-I101 WeakPolarHBondContact CA-O 3.41Å
81	H	98.3	Very high	96.9	Very high	28 Å²	28	37.7 Å²	37.7	13%	0.13	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.5	172.6	-59.4	-94.9	0	0	0	109.2	Q13 V100 I101 E103	Q13-H81 PolarHBondContact NE2-ND1 3.4Å; H81-V100 CarbonylContact O-C 3.53Å; H81-V100 WeakPolarHBondContact O-CA 3.32Å; H81-I101 HydrophobicContact CB-CB 4.32Å; H81-I101 PolarHBondContact N-O 3.46Å; H81-I101 PolarHBondContact O-N 2.85Å; H81-E103 IonicContact CD2-OE2 3.47Å; H81-E103 IonicContact CE1-OE2 2.72Å; H81-E103 PolarHBondContact CE1-OE2 3.07Å; H81-E103 IonicContact NE2-OE2 3.51Å; H81-E103 PolarHBondContact NE2-OE2 3.23Å
82	V	98.3	Very high	97	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	107.5	178.1	-174.9	0	0	0	0	108.1	Q13 L14 M37 A41 V80 V98 V100	Q13-V82 WeakPolarHBondContact CA-O 3.42Å; L14-V82 HydrophobicContact CB-CB 4.33Å; L14-V82 HydrophobicContact CD2-CB 4.33Å; L14-V82 HydrophobicContact CD2-CG2 4.13Å; L14-V82 PolarHBondContact N-O 2.95Å; L14-V82 PolarHBondContact O-N 3.19Å; M37-V82 HydrophobicContact CB-CG2 4.03Å; M37-V82 HydrophobicContact CE-CG2 3.96Å; A41-V82 HydrophobicContact CB-CB 4.47Å; A41-V82 HydrophobicContact CB-CG1 3.61Å; V80-V82 HydrophobicContact CG1-CG2 3.86Å; V82-V98 HydrophobicContact CG1-CG1 3.36Å; V82-V100 HydrophobicContact CG2-CG1 4.38Å; V82-V100 HydrophobicContact CG2-CG2 4.39Å
83	N	97.9	Very high	97.2	Very high	52 Å²	52	36 Å²	36	28%	0.278	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.4	177	-60.2	-44.4	0	0	0	108.7	L12 Q13 V98 K99	L12-N83 WeakPolarHBondContact O-CA 3.49Å; Q13-N83 VanDerWaalsContact CG-OD1 3.27Å; Q13-N83 WeakPolarHBondContact CG-OD1 3.48Å; N83-V98 CarbonylContact O-C 3.57Å; N83-V98 VanDerWaalsContact O-CA 3.27Å; N83-V98 WeakPolarHBondContact O-CA 3.2Å; N83-K99 PolarHBondContact N-O 2.88Å; N83-K99 PolarHBondContact O-N 2.74Å
84	A	97.7	Very high	97.5	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.2	178.1	0	0	0	0	0	110.4	S11 L12 A41 I45 V96 Q97 V98	S11-A84 CarbonylContact C-O 3.52Å; S11-A84 WeakPolarHBondContact CA-O 3.34Å; L12-A84 HydrophobicContact CB-CB 4.49Å; L12-A84 PolarHBondContact N-O 3.34Å; L12-A84 PolarHBondContact O-N 3.26Å; A41-A84 HydrophobicContact CB-CB 3.95Å; I45-A84 WeakPolarHBondContact CD1-O 3.23Å; I45-A84 HydrophobicContact CG2-CB 4.17Å; A84-V96 HydrophobicContact CB-CG1 3.92Å; A84-Q97 WeakPolarHBondContact CA-O 3.32Å; A84-V98 HydrophobicContact CB-CG2 3.93Å
85	E	97.6	Very high	97.6	Very high	110 Å²	110	32.9 Å²	32.9	51%	0.514	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.1	179	-174.3	-177.3	168.6	0	0	110.1	S10 T87 V96 Q97	S10-E85 WeakPolarHBondContact O-CA 3.4Å; E85-T87 HydrophobicContact CG-CG2 4.37Å; E85-T87 PolarHBondContact O-N 3.43Å; E85-V96 CarbonylContact O-C 3.55Å; E85-V96 VanDerWaalsContact O-CA 3.31Å; E85-V96 WeakPolarHBondContact O-CA 3.38Å; E85-Q97 PolarHBondContact N-O 3.02Å; E85-Q97 PolarHBondContact O-N 2.85Å
86	I	98	Very high	97.7	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.5	172.6	-60.2	168.7	0	0	0	108.3	S10 I45 H49 T89 L94 E95 V96 I137	S10-I86 PolarHBondContact O-N 3.08Å; S10-I86 VanDerWaalsContact O-N 3.17Å; I45-I86 HydrophobicContact CD1-CD1 4.5Å; I45-I86 HydrophobicContact CD1-CG1 4.13Å; I45-I86 HydrophobicContact CG1-CD1 4.03Å; I45-I86 HydrophobicContact CG1-CG1 4.09Å; I45-I86 HydrophobicContact CG2-CG1 4.31Å; H49-I86 HydrophobicContact CB-CD1 3.29Å; I86-T89 HydrophobicContact CG2-CG2 4.09Å; I86-L94 HydrophobicContact CD1-CD1 4.08Å; I86-L94 HydrophobicContact CG1-CD1 3.91Å; I86-L94 HydrophobicContact CG2-CB 4.34Å; I86-L94 HydrophobicContact CG2-CD1 4.11Å; I86-E95 WeakPolarHBondContact CA-O 3.42Å; I86-V96 HydrophobicContact CG1-CG2 4.26Å; I86-I137 HydrophobicContact CG2-CD1 4.23Å; I86-I137 HydrophobicContact CG2-CG2 4.07Å
87	T	97.1	Very high	97.7	Very high	20 Å²	20	30.4 Å²	30.4	12%	0.123	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-16.6	-173	50.3	0	0	0	0	113.9	E85 E95 Q97	E85-T87 HydrophobicContact CG-CG2 4.37Å; E85-T87 PolarHBondContact O-N 3.43Å; T87-E95 PolarHBondContact N-O 3.23Å; T87-E95 VanDerWaalsContact OG1-CD 3.28Å; T87-E95 WeakPolarHBondContact OG1-CG 3.48Å; T87-E95 PolarHBondContact OG1-OE2 3.2Å; T87-Q97 HydrophobicContact CG2-CB 3.79Å; T87-Q97 HydrophobicContact CG2-CG 3.76Å
88	Y	97.9	Very high	97.8	Very high	22 Å²	22	28.9 Å²	28.9	9%	0.086	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	145.8	177.6	-176.8	-103.3	0	0	0	111.9	L94 E95 W119 Y139 G148 R149 Y152	Y88-L94 CarbonylContact O-C 3.51Å; Y88-L94 VanDerWaalsContact O-CA 3.32Å; Y88-L94 WeakPolarHBondContact O-CA 3.34Å; Y88-E95 PolarHBondContact O-N 3.23Å; Y88-W119 AromaticContact CD1-CH2 3.93Å; Y88-W119 HydrophobicContact CD1-CH2 3.93Å; Y88-W119 HydrophobicContact CD1-CZ3 4.01Å; Y88-Y139 HydrophobicContact CD2-CE1 4.12Å; Y88-Y139 VanDerWaalsContact CD2-OH 3.29Å; Y88-Y139 WeakPolarHBondContact CD2-OH 3.27Å; Y88-G148 VanDerWaalsContact CD2-C 3.41Å; Y88-R149 HydrophobicContact CE2-CB 3.94Å; Y88-R149 VanDerWaalsContact CE2-N 3.32Å; Y88-Y152 HydrophobicContact CD1-CG 4.5Å; Y88-Y152 VanDerWaalsContact CE1-CB 3.46Å; Y88-Y152 HydrophobicContact CE1-CD1 4.28Å; Y88-Y152 HydrophobicContact CE1-CD2 4.24Å; Y88-Y152 AromaticContact CE1-CG 3.73Å; Y88-Y152 HydrophobicContact CE1-CG 3.73Å
89	T	97.8	Very high	97.7	Very high	13 Å²	13	32.9 Å²	32.9	8%	0.08	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.9	170.8	56.9	0	0	0	0	110.3	I86 L94 V134 I137 Y139	I86-T89 HydrophobicContact CG2-CG2 4.09Å; T89-L94 HydrophobicContact CG2-CB 4.09Å; T89-V134 HydrophobicContact CG2-CG1 3.66Å; T89-I137 HydrophobicContact CG2-CB 4.45Å; T89-I137 HydrophobicContact CG2-CD1 4.47Å; T89-I137 HydrophobicContact CG2-CG1 4.16Å; T89-I137 HydrophobicContact CG2-CG2 3.73Å; T89-I137 PolarHBondContact OG1-N 2.84Å; T89-Y139 PolarHBondContact N-OH 3.46Å
90	S	96.8	Very high	97.7	Very high	16 Å²	16	31.9 Å²	31.9	11%	0.112	15%	0.152	C	C	.	.			trans	-92.3	-175.5	164.1	89.4	0	0	0	0	110	H92 S93	S90-H92 VanDerWaalsContact C-N 3.26Å; S90-H92 PolarHBondContact O-N 3.12Å; S90-H92 PolarHBondContact OG-N 2.95Å; S90-S93 PolarHBondContact N-O 2.9Å; S90-S93 PolarHBondContact OG-N 3.49Å; S90-S93 PolarHBondContact OG-O 3.29Å; S90-S93 PolarHBondContact OG-OG 3.47Å
91	K	96	Very high	97.7	Very high	130 Å²	130	33.5 Å²	33.5	57%	0.565	16%	0.161	S	C	*	.	S	Bend	trans	-56.5	-38.1	174	-169.4	178.5	177.6	-179.6	0	113.3	E133 V134	K91-E133 WeakPolarHBondContact CE-OE1 3.4Å; K91-E133 HydrophobicContact CG-CG 4.41Å; K91-E133 IonicContact NZ-OE1 3.36Å; K91-E133 PolarHBondContact NZ-OE1 3.38Å; K91-E133 VanDerWaalsContact O-CA 3.27Å; K91-E133 WeakPolarHBondContact O-CA 3.48Å; K91-V134 PolarHBondContact O-N 3.43Å
92	H	96.8	Very high	97.7	Very high	75 Å²	75	32.2 Å²	32.2	35%	0.347	16%	0.155	S	C	.	.	S	Bend	trans	-133.2	8.3	-170.2	-63.5	-59.6	0	0	0	114	S90 I131 M132	S90-H92 VanDerWaalsContact C-N 3.26Å; S90-H92 PolarHBondContact O-N 3.12Å; S90-H92 PolarHBondContact OG-N 2.95Å; H92-I131 HydrophobicContact CB-CG2 3.9Å; H92-M132 PolarHBondContact ND1-O 2.88Å
93	S	97.6	Very high	97.7	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.07	16%	0.162	C	C	.	.			trans	-146	154	179.3	69.4	0	0	0	0	111.1	S90 Y120	S90-S93 PolarHBondContact N-O 2.9Å; S90-S93 PolarHBondContact OG-N 3.49Å; S90-S93 PolarHBondContact OG-O 3.29Å; S90-S93 PolarHBondContact OG-OG 3.47Å; S93-Y120 CarbonylContact C-O 3.5Å; S93-Y120 WeakPolarHBondContact CA-O 3.15Å; S93-Y120 WeakPolarHBondContact CB-O 3.37Å
94	L	97.6	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.8	167.8	64.9	129.3	0	0	0	111.1	C50 I86 Y88 T89 V96 W119 Y120 V134	C50-L94 WeakPolarHBondContact SG-CD2 3.33Å; I86-L94 HydrophobicContact CD1-CD1 4.08Å; I86-L94 HydrophobicContact CG1-CD1 3.91Å; I86-L94 HydrophobicContact CG2-CB 4.34Å; I86-L94 HydrophobicContact CG2-CD1 4.11Å; Y88-L94 CarbonylContact O-C 3.51Å; Y88-L94 VanDerWaalsContact O-CA 3.32Å; Y88-L94 WeakPolarHBondContact O-CA 3.34Å; T89-L94 HydrophobicContact CG2-CB 4.09Å; L94-V96 HydrophobicContact CD1-CG2 3.51Å; L94-W119 WeakPolarHBondContact O-CA 3.27Å; L94-Y120 PolarHBondContact N-O 2.86Å; L94-Y120 PolarHBondContact O-N 2.95Å; L94-V134 HydrophobicContact CB-CG1 4.15Å; L94-V134 HydrophobicContact CD2-CG1 4.24Å; L94-V134 HydrophobicContact CD2-CG2 4.33Å
95	E	98.4	Very high	97.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.8	169.9	-169.6	-174	-138.2	0	0	108.8	I86 T87 Y88 L118 W119 R151	I86-E95 WeakPolarHBondContact CA-O 3.42Å; T87-E95 PolarHBondContact N-O 3.23Å; T87-E95 VanDerWaalsContact OG1-CD 3.28Å; T87-E95 WeakPolarHBondContact OG1-CG 3.48Å; T87-E95 PolarHBondContact OG1-OE2 3.2Å; Y88-E95 PolarHBondContact O-N 3.23Å; E95-L118 CarbonylContact C-O 3.54Å; E95-L118 WeakPolarHBondContact CA-O 3.37Å; E95-W119 HydrophobicContact CB-CD2 4.31Å; E95-W119 HydrophobicContact CB-CE3 4.07Å; E95-W119 HydrophobicContact CB-CH2 3.67Å; E95-W119 HydrophobicContact CB-CZ2 3.94Å; E95-W119 HydrophobicContact CB-CZ3 3.76Å; E95-W119 HydrophobicContact CG-CD2 4.48Å; E95-W119 HydrophobicContact CG-CH2 4.08Å; E95-W119 HydrophobicContact CG-CZ2 3.83Å; E95-R151 WeakPolarHBondContact OE1-CD 3.3Å; E95-R151 IonicContact OE1-CZ 3.41Å; E95-R151 IonicContact OE1-NE 2.78Å; E95-R151 PolarHBondContact OE1-NE 3.21Å; E95-R151 IonicContact OE1-NH2 2.7Å; E95-R151 IonicContact OE2-CZ 2.81Å; E95-R151 IonicContact OE2-NE 3.87Å; E95-R151 PolarHBondContact OE2-NE 2.97Å; E95-R151 VanDerWaalsContact OE2-NE 3.1Å; E95-R151 IonicContact OE2-NH2 2.74Å; E95-R151 PolarHBondContact OE2-NH2 3.26Å
96	V	98.4	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121	169.7	-175.4	0	0	0	0	108.5	I45 A84 E85 I86 L94 V98 A117 L118 Y120	I45-V96 HydrophobicContact CG2-CG1 3.85Å; I45-V96 HydrophobicContact CG2-CG2 4.04Å; A84-V96 HydrophobicContact CB-CG1 3.92Å; E85-V96 CarbonylContact O-C 3.55Å; E85-V96 VanDerWaalsContact O-CA 3.31Å; E85-V96 WeakPolarHBondContact O-CA 3.38Å; I86-V96 HydrophobicContact CG1-CG2 4.26Å; L94-V96 HydrophobicContact CD1-CG2 3.51Å; V96-V98 HydrophobicContact CG1-CG2 3.97Å; V96-A117 CarbonylContact O-C 3.56Å; V96-A117 WeakPolarHBondContact O-CA 3.49Å; V96-L118 PolarHBondContact N-O 3.23Å; V96-L118 PolarHBondContact O-N 3.05Å; V96-Y120 HydrophobicContact CB-CD2 4.48Å; V96-Y120 HydrophobicContact CB-CE2 4.29Å; V96-Y120 HydrophobicContact CG2-CD2 3.88Å; V96-Y120 HydrophobicContact CG2-CE2 4.04Å
97	Q	97.9	Very high	97.6	Very high	77 Å²	77	45.2 Å²	45.2	36%	0.36	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.9	168.1	-72.2	-175.3	30	0	0	110	A84 E85 T87 A116 A117	A84-Q97 WeakPolarHBondContact CA-O 3.32Å; E85-Q97 PolarHBondContact N-O 3.02Å; E85-Q97 PolarHBondContact O-N 2.85Å; T87-Q97 HydrophobicContact CG2-CB 3.79Å; T87-Q97 HydrophobicContact CG2-CG 3.76Å; Q97-A116 WeakPolarHBondContact CA-O 3.41Å; Q97-A117 HydrophobicContact CG-CB 4.19Å
98	V	97.8	Very high	97.6	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131	-177	-175.4	0	0	0	0	110	I38 V82 N83 A84 V96 V100 K115 A116 L118	I38-V98 HydrophobicContact CB-CG1 4.34Å; I38-V98 HydrophobicContact CG1-CG1 3.94Å; I38-V98 HydrophobicContact CG2-CB 4.02Å; I38-V98 HydrophobicContact CG2-CG1 4.11Å; I38-V98 HydrophobicContact CG2-CG2 4.05Å; V82-V98 HydrophobicContact CG1-CG1 3.36Å; N83-V98 CarbonylContact O-C 3.57Å; N83-V98 VanDerWaalsContact O-CA 3.27Å; N83-V98 WeakPolarHBondContact O-CA 3.2Å; A84-V98 HydrophobicContact CB-CG2 3.93Å; V96-V98 HydrophobicContact CG1-CG2 3.97Å; V98-V100 HydrophobicContact CG1-CG2 4.3Å; V98-K115 WeakPolarHBondContact O-CA 3.47Å; V98-A116 PolarHBondContact N-O 2.85Å; V98-A116 PolarHBondContact O-N 3.29Å; V98-L118 HydrophobicContact CB-CD1 4.46Å; V98-L118 HydrophobicContact CG2-CD1 3.87Å
99	K	97.8	Very high	97.6	Very high	99 Å²	99	48.2 Å²	48.2	43%	0.43	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	174.4	-173.4	-176.5	179.1	-177.2	0	109.2	N83 I101 L112	N83-K99 PolarHBondContact N-O 2.88Å; N83-K99 PolarHBondContact O-N 2.74Å; K99-I101 HydrophobicContact CD-CD1 4.44Å; K99-I101 HydrophobicContact CG-CG1 4.42Å; K99-L112 HydrophobicContact CD-CD1 4.18Å; K99-L112 HydrophobicContact CG-CD1 3.49Å; K99-L112 VanDerWaalsContact CG-CD1 3.49Å
100	V	98.3	Very high	97.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.1	179.7	-172.3	0	0	0	0	110.1	I34 I38 V80 H81 V82 V98 A113 N114	I34-V100 HydrophobicContact CG2-CG1 4.27Å; I34-V100 HydrophobicContact CG2-CG2 4.25Å; I38-V100 HydrophobicContact CD1-CG2 3.81Å; I38-V100 HydrophobicContact CG1-CG2 3.63Å; V80-V100 HydrophobicContact CG1-CG1 3.42Å; V80-V100 VanDerWaalsContact CG1-CG1 3.42Å; H81-V100 CarbonylContact O-C 3.53Å; H81-V100 WeakPolarHBondContact O-CA 3.32Å; V82-V100 HydrophobicContact CG2-CG1 4.38Å; V82-V100 HydrophobicContact CG2-CG2 4.39Å; V98-V100 HydrophobicContact CG1-CG2 4.3Å; V100-A113 HydrophobicContact CG1-CB 4.27Å; V100-A113 PolarHBondContact O-N 2.78Å; V100-N114 HydrophobicContact CB-CB 3.86Å; V100-N114 HydrophobicContact CG2-CB 3.95Å; V100-N114 PolarHBondContact N-O 3.5Å; V100-N114 PolarHBondContact O-N 3.29Å
101	I	98.4	Very high	97.6	Very high	35 Å²	35	55.5 Å²	55.5	18%	0.179	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.2	177.9	-58.7	172.6	0	0	0	108.1	V80 H81 K99 K110 K111	V80-I101 WeakPolarHBondContact CA-O 3.41Å; H81-I101 HydrophobicContact CB-CB 4.32Å; H81-I101 PolarHBondContact N-O 3.46Å; H81-I101 PolarHBondContact O-N 2.85Å; K99-I101 HydrophobicContact CD-CD1 4.44Å; K99-I101 HydrophobicContact CG-CG1 4.42Å; I101-K110 HydrophobicContact CG2-CB 4.06Å; I101-K110 HydrophobicContact CG2-CG 4.42Å; I101-K111 WeakPolarHBondContact CA-O 3.34Å
102	A	98.2	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.6	169.5	0	0	0	0	0	109.7	V74 K110 K111 A113	V74-A102 HydrophobicContact CB-CB 4.43Å; V74-A102 HydrophobicContact CG1-CB 4.05Å; V74-A102 HydrophobicContact CG2-CB 3.86Å; A102-K110 WeakPolarHBondContact O-CA 3.37Å; A102-K111 HydrophobicContact CB-CD 4.5Å; A102-K111 HydrophobicContact CB-CG 3.97Å; A102-K111 PolarHBondContact N-O 3.43Å; A102-K111 PolarHBondContact O-N 2.77Å; A102-A113 HydrophobicContact CB-CB 4.37Å
103	E	98.3	Very high	97.6	Very high	35 Å²	35	48 Å²	48	16%	0.164	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.6	180	175.7	171.3	-160.1	0	0	110.1	E78 V79 H81 I105 A109 K110	E78-E103 CarbonylContact C-O 3.6Å; E78-E103 VanDerWaalsContact CA-O 3.27Å; E78-E103 WeakPolarHBondContact CA-O 3.2Å; E78-E103 WeakPolarHBondContact CB-O 3.43Å; V79-E103 HydrophobicContact CB-CB 4.49Å; V79-E103 PolarHBondContact N-O 2.85Å; V79-E103 PolarHBondContact O-N 3.13Å; H81-E103 IonicContact CD2-OE2 3.47Å; H81-E103 IonicContact CE1-OE2 2.72Å; H81-E103 PolarHBondContact CE1-OE2 3.07Å; H81-E103 IonicContact NE2-OE2 3.51Å; H81-E103 PolarHBondContact NE2-OE2 3.23Å; E103-I105 HydrophobicContact CG-CG2 4.09Å; E103-I105 PolarHBondContact O-N 2.95Å; E103-A109 WeakPolarHBondContact CA-O 3.23Å; E103-K110 HydrophobicContact CB-CG 4.06Å; E103-K110 HydrophobicContact CG-CG 4.05Å; E103-K110 WeakPolarHBondContact OE1-CE 3.47Å; E103-K110 IonicContact OE1-NZ 3.68Å; E103-K110 PolarHBondContact OE1-NZ 3.21Å; E103-K110 VanDerWaalsContact OE2-CE 3.23Å; E103-K110 WeakPolarHBondContact OE2-CE 3.4Å; E103-K110 IonicContact OE2-NZ 2.81Å; E103-K110 PolarHBondContact OE2-NZ 3.49Å
104	N	97.9	Very high	97.6	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.251	26%	0.258	S	S	.	.			trans	-81.6	106.5	164.7	-175.5	-47.5	0	0	0	108.4	L106 T107 G108 A109	N104-L106 PolarHBondContact O-N 3.26Å; N104-L106 WeakPolarHBondContact OD1-CB 3.42Å; N104-L106 PolarHBondContact OD1-N 3.49Å; N104-T107 WeakPolarHBondContact CB-OG1 3.05Å; N104-T107 PolarHBondContact O-N 2.93Å; N104-T107 PolarHBondContact OD1-N 2.9Å; N104-T107 PolarHBondContact OD1-OG1 2.68Å; N104-G108 VanDerWaalsContact O-CA 3.27Å; N104-G108 WeakPolarHBondContact O-CA 3.2Å; N104-G108 PolarHBondContact O-N 2.89Å; N104-A109 HydrophobicContact CB-CB 4.49Å; N104-A109 PolarHBondContact N-O 2.79Å
105	I	96.6	Very high	97.5	Very high	100 Å²	100	53.5 Å²	53.5	51%	0.513	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.4	-175.7	56.6	172.7	0	0	0	114.3	V79 E103	V79-I105 HydrophobicContact CB-CG2 4.07Å; V79-I105 HydrophobicContact CG2-CD1 4.32Å; V79-I105 HydrophobicContact CG2-CG2 3.48Å; V79-I105 VanDerWaalsContact CG2-CG2 3.48Å; E103-I105 HydrophobicContact CG-CG2 4.09Å; E103-I105 PolarHBondContact O-N 2.95Å
106	L	96.9	Very high	97.4	Very high	163 Å²	163	53.9 Å²	53.9	85%	0.853	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-38	174.9	-57.1	178.4	0	0	0	111.4	N104	N104-L106 PolarHBondContact O-N 3.26Å; N104-L106 WeakPolarHBondContact OD1-CB 3.42Å; N104-L106 PolarHBondContact OD1-N 3.49Å
107	T	97.6	Very high	97.4	Very high	100 Å²	100	54.7 Å²	54.7	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.8	-177.7	67.1	0	0	0	0	113.6	N104 A109	N104-T107 WeakPolarHBondContact CB-OG1 3.05Å; N104-T107 PolarHBondContact O-N 2.93Å; N104-T107 PolarHBondContact OD1-N 2.9Å; N104-T107 PolarHBondContact OD1-OG1 2.68Å; T107-A109 PolarHBondContact O-N 3.3Å; T107-A109 WeakPolarHBondContact OG1-CB 3.3Å; T107-A109 PolarHBondContact OG1-N 3.42Å
108	G	96.3	Very high	97.4	Very high	46 Å²	46	51 Å²	51	47%	0.474	28%	0.277	S	S	.	.			trans	74.9	1.1	-172	0	0	0	0	0	114.4	N104	N104-G108 VanDerWaalsContact O-CA 3.27Å; N104-G108 WeakPolarHBondContact O-CA 3.2Å; N104-G108 PolarHBondContact O-N 2.89Å
109	A	97.7	Very high	97.4	Very high	58 Å²	58	50.9 Å²	50.9	48%	0.479	28%	0.275	S	S	.	.			trans	-67.9	133.1	-177.7	0	0	0	0	0	111.5	E103 N104 T107	E103-A109 WeakPolarHBondContact CA-O 3.23Å; N104-A109 HydrophobicContact CB-CB 4.49Å; N104-A109 PolarHBondContact N-O 2.79Å; T107-A109 PolarHBondContact O-N 3.3Å; T107-A109 WeakPolarHBondContact OG1-CB 3.3Å; T107-A109 PolarHBondContact OG1-N 3.42Å
110	K	98	Very high	97.4	Very high	132 Å²	132	46.1 Å²	46.1	57%	0.574	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	137	177.9	-68.5	-178.5	178.5	-175.8	0	110.9	I101 A102 E103	I101-K110 HydrophobicContact CG2-CB 4.06Å; I101-K110 HydrophobicContact CG2-CG 4.42Å; A102-K110 WeakPolarHBondContact O-CA 3.37Å; E103-K110 HydrophobicContact CB-CG 4.06Å; E103-K110 HydrophobicContact CG-CG 4.05Å; E103-K110 WeakPolarHBondContact OE1-CE 3.47Å; E103-K110 IonicContact OE1-NZ 3.68Å; E103-K110 PolarHBondContact OE1-NZ 3.21Å; E103-K110 VanDerWaalsContact OE2-CE 3.23Å; E103-K110 WeakPolarHBondContact OE2-CE 3.4Å; E103-K110 IonicContact OE2-NZ 2.81Å; E103-K110 PolarHBondContact OE2-NZ 3.49Å
111	K	96.9	Very high	97.3	Very high	50 Å²	50	46.9 Å²	46.9	22%	0.217	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.3	176.8	64.2	-165.2	170.5	-174.9	0	111	P73 E78 I101 A102 A113	P73-K111 WeakPolarHBondContact O-CE 3.39Å; P73-K111 PolarHBondContact O-NZ 3.42Å; E78-K111 VanDerWaalsContact OE1-CE 3.28Å; E78-K111 WeakPolarHBondContact OE1-CE 3.37Å; E78-K111 IonicContact OE1-NZ 2.6Å; E78-K111 PolarHBondContact OE1-NZ 3.43Å; E78-K111 WeakPolarHBondContact OE2-CE 3.24Å; E78-K111 IonicContact OE2-NZ 3.65Å; E78-K111 PolarHBondContact OE2-NZ 3.31Å; I101-K111 WeakPolarHBondContact CA-O 3.34Å; A102-K111 HydrophobicContact CB-CD 4.5Å; A102-K111 HydrophobicContact CB-CG 3.97Å; A102-K111 PolarHBondContact N-O 3.43Å; A102-K111 PolarHBondContact O-N 2.77Å; K111-A113 PolarHBondContact O-N 3.29Å
112	L	97.5	Very high	97.2	Very high	47 Å²	47	45.2 Å²	45.2	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	111.5	170.8	177.9	65.7	0	0	0	108.4	L71 S72 K99 K115	L71-L112 HydrophobicContact CD1-CD2 3.54Å; L71-L112 HydrophobicContact CD1-CG 3.91Å; S72-L112 WeakPolarHBondContact CB-O 3.5Å; S72-L112 PolarHBondContact OG-O 2.76Å; K99-L112 HydrophobicContact CD-CD1 4.18Å; K99-L112 HydrophobicContact CG-CD1 3.49Å; K99-L112 VanDerWaalsContact CG-CD1 3.49Å; L112-K115 HydrophobicContact CD1-CG 4.23Å; L112-K115 HydrophobicContact CD2-CD 4.23Å; L112-K115 HydrophobicContact CD2-CG 4.21Å
113	A	96.5	Very high	97.1	Very high	2 Å²	2	46 Å²	46	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-41.7	-179	0	0	0	0	0	111.6	F70 L71 S72 V74 V100 A102 K111	F70-A113 CarbonylContact C-O 3.57Å; L71-A113 PolarHBondContact N-O 3Å; S72-A113 PolarHBondContact N-O 2.97Å; V74-A113 HydrophobicContact CG2-CB 3.53Å; V100-A113 HydrophobicContact CG1-CB 4.27Å; V100-A113 PolarHBondContact O-N 2.78Å; A102-A113 HydrophobicContact CB-CB 4.37Å; K111-A113 PolarHBondContact O-N 3.29Å
114	N	96.3	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	150.2	-172.5	-173.5	-83.1	0	0	0	112.2	I34 I38 T68 E69 V100	I34-N114 HydrophobicContact CG2-CB 4.29Å; I38-N114 VanDerWaalsContact CD1-OD1 3.23Å; I38-N114 WeakPolarHBondContact CD1-OD1 3.19Å; T68-N114 WeakPolarHBondContact CG2-ND2 3.5Å; T68-N114 WeakPolarHBondContact CG2-OD1 3.35Å; E69-N114 PolarHBondContact O-ND2 3.13Å; E69-N114 VanDerWaalsContact O-ND2 3.15Å; V100-N114 HydrophobicContact CB-CB 3.86Å; V100-N114 HydrophobicContact CG2-CB 3.95Å; V100-N114 PolarHBondContact N-O 3.5Å; V100-N114 PolarHBondContact O-N 3.29Å
115	K	95.7	Very high	96.7	Very high	125 Å²	125	45.7 Å²	45.7	54%	0.543	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.9	163.3	-71.7	177.6	171.9	174.5	0	108.4	V98 L112	V98-K115 WeakPolarHBondContact O-CA 3.47Å; L112-K115 HydrophobicContact CD1-CG 4.23Å; L112-K115 HydrophobicContact CD2-CD 4.23Å; L112-K115 HydrophobicContact CD2-CG 4.21Å
116	A	96.4	Very high	96.4	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.8	178.6	0	0	0	0	0	110.9	I38 T68 Q97 V98 L118	I38-A116 HydrophobicContact CD1-CB 4.14Å; I38-A116 HydrophobicContact CG2-CB 3.97Å; T68-A116 HydrophobicContact CG2-CB 4Å; T68-A116 WeakPolarHBondContact OG1-CB 3.45Å; Q97-A116 WeakPolarHBondContact CA-O 3.41Å; V98-A116 PolarHBondContact N-O 2.85Å; V98-A116 PolarHBondContact O-N 3.29Å; A116-L118 HydrophobicContact CB-CD1 3.92Å
117	A	97.6	Very high	96.2	Very high	17 Å²	17	45.1 Å²	45.1	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	168.1	0	0	0	0	0	108.8	E66 V96 Q97	E66-A117 HydrophobicContact CB-CB 4.07Å; E66-A117 WeakPolarHBondContact CB-O 3.42Å; E66-A117 HydrophobicContact CG-CB 4Å; E66-A117 PolarHBondContact N-O 2.87Å; V96-A117 CarbonylContact O-C 3.56Å; V96-A117 WeakPolarHBondContact O-CA 3.49Å; Q97-A117 HydrophobicContact CG-CB 4.19Å
118	L	98.3	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.9	-173.1	-66.1	89.4	0	0	0	109.3	I38 L62 R64 V65 E95 V96 V98 A116 Y120	I38-L118 HydrophobicContact CG2-CD1 3.38Å; I38-L118 HydrophobicContact CG2-CD2 3.93Å; I38-L118 HydrophobicContact CG2-CG 4.29Å; L62-L118 HydrophobicContact CD1-CB 3.99Å; L62-L118 HydrophobicContact CD1-CD2 3.83Å; L62-L118 HydrophobicContact CD1-CG 4.33Å; L62-L118 HydrophobicContact CD2-CD2 4.33Å; R64-L118 WeakPolarHBondContact O-CA 3.22Å; V65-L118 HydrophobicContact CG1-CG 4.4Å; V65-L118 HydrophobicContact CG2-CD2 4.04Å; V65-L118 HydrophobicContact CG2-CG 4.2Å; E95-L118 CarbonylContact C-O 3.54Å; E95-L118 WeakPolarHBondContact CA-O 3.37Å; V96-L118 PolarHBondContact N-O 3.23Å; V96-L118 PolarHBondContact O-N 3.05Å; V98-L118 HydrophobicContact CB-CD1 4.46Å; V98-L118 HydrophobicContact CG2-CD1 3.87Å; A116-L118 HydrophobicContact CB-CD1 3.92Å; L118-Y120 HydrophobicContact CB-CD2 4.23Å; L118-Y120 HydrophobicContact CB-CE2 3.54Å; L118-Y120 HydrophobicContact CD2-CE2 4.23Å; L118-Y120 WeakPolarHBondContact CD2-OH 3.38Å; L118-Y120 HydrophobicContact CG-CE2 4.49Å
119	W	98.1	Very high	95.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.3	174.9	-66.2	88.6	0	0	0	110	V63 R64 E66 Y88 L94 E95 R151 Y152 Q155	V63-W119 HydrophobicContact CG2-CB 4.03Å; V63-W119 WeakPolarHBondContact CG2-O 3.48Å; V63-W119 PolarHBondContact N-O 2.89Å; R64-W119 HydrophobicContact CB-CB 4.16Å; R64-W119 PolarHBondContact N-O 2.8Å; R64-W119 PolarHBondContact O-N 3.15Å; E66-W119 PolarHBondContact OE1-NE1 3.23Å; Y88-W119 AromaticContact CD1-CH2 3.93Å; Y88-W119 HydrophobicContact CD1-CH2 3.93Å; Y88-W119 HydrophobicContact CD1-CZ3 4.01Å; L94-W119 WeakPolarHBondContact O-CA 3.27Å; E95-W119 HydrophobicContact CB-CD2 4.31Å; E95-W119 HydrophobicContact CB-CE3 4.07Å; E95-W119 HydrophobicContact CB-CH2 3.67Å; E95-W119 HydrophobicContact CB-CZ2 3.94Å; E95-W119 HydrophobicContact CB-CZ3 3.76Å; E95-W119 HydrophobicContact CG-CD2 4.48Å; E95-W119 HydrophobicContact CG-CH2 4.08Å; E95-W119 HydrophobicContact CG-CZ2 3.83Å; W119-R151 HydrophobicContact CZ2-CB 4.48Å; W119-Y152 HydrophobicContact CE3-CD2 4.5Å; W119-Y152 VanDerWaalsContact CH2-CA 3.48Å; W119-Y152 AromaticContact CH2-CD2 4Å; W119-Y152 HydrophobicContact CH2-CD2 4Å; W119-Y152 HydrophobicContact CH2-CG 4.29Å; W119-Y152 AromaticContact CZ3-CD2 3.74Å; W119-Y152 HydrophobicContact CZ3-CD2 3.74Å; W119-Y152 HydrophobicContact CZ3-CG 4.42Å; W119-Q155 HydrophobicContact CD2-CG 4.18Å; W119-Q155 HydrophobicContact CH2-CG 4.44Å; W119-Q155 HydrophobicContact CZ2-CG 3.75Å
120	Y	98.1	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153	177.8	-67.2	-96.8	0	0	0	111.3	E39 G42 S43 A60 A61 L62 S93 L94 V96 L118	E39-Y120 PolarHBondContact O-OH 3.02Å; G42-Y120 WeakPolarHBondContact CA-OH 3.41Å; S43-Y120 PolarHBondContact N-OH 2.81Å; A60-Y120 HydrophobicContact CB-CD1 4Å; A60-Y120 HydrophobicContact CB-CG 4.3Å; A61-Y120 VanDerWaalsContact O-CA 3.3Å; A61-Y120 WeakPolarHBondContact O-CA 3.38Å; L62-Y120 HydrophobicContact CB-CD1 4.14Å; L62-Y120 HydrophobicContact CB-CE1 3.75Å; L62-Y120 HydrophobicContact CD1-CD1 4.5Å; L62-Y120 HydrophobicContact CD1-CE1 4.09Å; L62-Y120 HydrophobicContact CD1-CE2 4.16Å; S93-Y120 CarbonylContact C-O 3.5Å; S93-Y120 WeakPolarHBondContact CA-O 3.15Å; S93-Y120 WeakPolarHBondContact CB-O 3.37Å; L94-Y120 PolarHBondContact N-O 2.86Å; L94-Y120 PolarHBondContact O-N 2.95Å; V96-Y120 HydrophobicContact CB-CD2 4.48Å; V96-Y120 HydrophobicContact CB-CE2 4.29Å; V96-Y120 HydrophobicContact CG2-CD2 3.88Å; V96-Y120 HydrophobicContact CG2-CE2 4.04Å; L118-Y120 HydrophobicContact CB-CD2 4.23Å; L118-Y120 HydrophobicContact CB-CE2 3.54Å; L118-Y120 HydrophobicContact CD2-CE2 4.23Å; L118-Y120 WeakPolarHBondContact CD2-OH 3.38Å; L118-Y120 HydrophobicContact CG-CE2 4.49Å
121	V	96.8	Very high	95.1	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.4	172.7	174.5	0	0	0	0	108.3	A61 V63 C123 I131	A61-V121 PolarHBondContact N-O 2.99Å; A61-V121 PolarHBondContact O-N 3.18Å; V63-V121 HydrophobicContact CB-CG2 4.4Å; V63-V121 HydrophobicContact CG1-CB 3.97Å; V63-V121 HydrophobicContact CG1-CG2 3.7Å; V63-V121 HydrophobicContact CG2-CG2 3.81Å; V121-C123 PolarHBondContact O-N 3.25Å; V121-I131 HydrophobicContact CG1-CB 4.11Å; V121-I131 HydrophobicContact CG1-CD1 3.97Å; V121-I131 HydrophobicContact CG1-CG1 3.73Å; V121-I131 HydrophobicContact CG1-CG2 3.39Å
122	P	96.2	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.6	177.1	30.3	-33.8	0	0	0	110.8	C50 C58 L59 I131 M132 V134	C50-P122 HydrophobicContact CB-CB 4Å; C58-P122 HydrophobicContact CB-CB 4.07Å; L59-P122 WeakPolarHBondContact O-CA 3.26Å; P122-I131 WeakPolarHBondContact O-CA 3.48Å; P122-M132 HydrophobicContact CB-CB 4.19Å; P122-M132 HydrophobicContact CG-CB 4.03Å; P122-M132 PolarHBondContact O-N 3.43Å; P122-V134 HydrophobicContact CG-CG2 3.7Å
123	C	95.3	Very high	95	Very high	18 Å²	18	48.5 Å²	48.5	12%	0.122	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131	173.4	-65.2	0	0	0	0	109.8	C58 L59 V121	C58-C123 CarbonylContact C-O 3.53Å; C58-C123 WeakPolarHBondContact CA-O 3.46Å; C58-C123 WeakPolarHBondContact CB-O 3.42Å; L59-C123 PolarHBondContact N-O 3.41Å; L59-C123 PolarHBondContact O-N 3.25Å; V121-C123 PolarHBondContact O-N 3.25Å
124	S	94.9	Very high	95	Very high	1 Å²	1	49 Å²	49	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.8	177.2	156.7	0	0	0	0	111.8	D56 Q126 N127 V128 K130	D56-S124 WeakPolarHBondContact OD2-CB 3.38Å; D56-S124 PolarHBondContact OD2-OG 3.4Å; S124-Q126 VanDerWaalsContact C-N 3.35Å; S124-Q126 PolarHBondContact OG-N 2.77Å; S124-Q126 VanDerWaalsContact OG-N 3.08Å; S124-N127 VanDerWaalsContact CB-O 3.29Å; S124-N127 WeakPolarHBondContact CB-O 3.43Å; S124-N127 CarbonylContact O-C 3.3Å; S124-N127 VanDerWaalsContact O-C 3.3Å; S124-N127 PolarHBondContact OG-N 2.96Å; S124-V128 WeakPolarHBondContact O-CA 3.37Å; S124-V128 PolarHBondContact O-N 3.43Å; S124-K130 PolarHBondContact N-O 3.28Å
125	L	93.3	Very high	94.9	Very high	74 Å²	74	49.2 Å²	49.2	39%	0.387	25%	0.248	S	C	.	.	S	Bend	trans	-77	-23.4	173.7	-61.3	-175.4	0	0	0	112.1	R57 L59 V205	R57-L125 HydrophobicContact CB-CD1 3.7Å; R57-L125 HydrophobicContact CB-CG 4.18Å; R57-L125 WeakPolarHBondContact O-CG 3.43Å; R57-L125 PolarHBondContact O-N 2.85Å; L59-L125 HydrophobicContact CB-CD2 4.07Å; L125-V205 HydrophobicContact CD2-CG1 3.47Å; L125-V205 VanDerWaalsContact CD2-CG1 3.47Å
126	Q	91	Very high	94.9	Very high	165 Å²	165	48 Å²	48	77%	0.771	25%	0.253	S	S	*	.	S	Bend	trans	-81.3	-38.7	176.4	-65	179.2	14.9	0	0	112	D56 S124	D56-Q126 VanDerWaalsContact OD1-CD 3.28Å; D56-Q126 VanDerWaalsContact OD1-CG 3.28Å; D56-Q126 WeakPolarHBondContact OD1-CG 3.25Å; D56-Q126 PolarHBondContact OD1-NE2 3.04Å; S124-Q126 VanDerWaalsContact C-N 3.35Å; S124-Q126 PolarHBondContact OG-N 2.77Å; S124-Q126 VanDerWaalsContact OG-N 3.08Å
127	N	91.5	Very high	94.8	Very high	85 Å²	85	48.9 Å²	48.9	46%	0.455	26%	0.256	S	S	.	.	S	Bend	trans	-134.2	97.4	174	179.8	-10.5	0	0	0	108.8	S124 D129 K130	S124-N127 VanDerWaalsContact CB-O 3.29Å; S124-N127 WeakPolarHBondContact CB-O 3.43Å; S124-N127 CarbonylContact O-C 3.3Å; S124-N127 VanDerWaalsContact O-C 3.3Å; S124-N127 PolarHBondContact OG-N 2.96Å; N127-D129 PolarHBondContact O-N 2.79Å; N127-D129 PolarHBondContact OD1-N 3.38Å; N127-D129 VanDerWaalsContact OD1-N 3.16Å; N127-K130 HydrophobicContact CB-CB 3.96Å; N127-K130 VanDerWaalsContact O-CB 3.31Å; N127-K130 WeakPolarHBondContact O-CB 3.24Å; N127-K130 PolarHBondContact O-N 3.33Å; N127-K130 PolarHBondContact OD1-N 3.45Å
128	V	87.8	Confident	94.6	Very high	32 Å²	32	56.5 Å²	56.5	19%	0.194	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.8	-174.4	-64.2	0	0	0	0	114.7	S124 V205 F207 K246	S124-V128 WeakPolarHBondContact O-CA 3.37Å; S124-V128 PolarHBondContact O-N 3.43Å; V128-V205 HydrophobicContact CG1-CB 4.08Å; V128-V205 HydrophobicContact CG1-CG1 4.24Å; V128-F207 HydrophobicContact CB-CE2 3.74Å; V128-F207 HydrophobicContact CB-CZ 4.44Å; V128-F207 HydrophobicContact CG1-CE2 4.04Å; V128-F207 HydrophobicContact CG2-CE2 3.76Å; V128-F207 HydrophobicContact CG2-CZ 3.98Å; V128-K246 PolarHBondContact O-NZ 3.4Å
129	D	89.8	Confident	94.3	Very high	116 Å²	116	59 Å²	59	62%	0.62	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.6	177.2	-62	-40.4	0	0	0	113.1	N127 I131 K246	N127-D129 PolarHBondContact O-N 2.79Å; N127-D129 PolarHBondContact OD1-N 3.38Å; N127-D129 VanDerWaalsContact OD1-N 3.16Å; D129-I131 PolarHBondContact O-N 3.36Å; D129-K246 IonicContact OD1-NZ 2.84Å; D129-K246 PolarHBondContact OD1-NZ 3Å
130	K	94.1	Very high	94	Very high	109 Å²	109	63.8 Å²	63.8	47%	0.474	34%	0.336	S	S	.	.			trans	-80.5	113	172.9	-177.4	-174.9	175	-170.3	0	110.3	S124 N127	S124-K130 PolarHBondContact N-O 3.28Å; N127-K130 HydrophobicContact CB-CB 3.96Å; N127-K130 VanDerWaalsContact O-CB 3.31Å; N127-K130 WeakPolarHBondContact O-CB 3.24Å; N127-K130 PolarHBondContact O-N 3.33Å; N127-K130 PolarHBondContact OD1-N 3.45Å
131	I	95.4	Very high	93.8	Very high	91 Å²	91	66.1 Å²	66.1	47%	0.467	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-75.9	129	169.8	-63	171.8	0	0	0	109.2	H92 V121 P122 D129	H92-I131 HydrophobicContact CB-CG2 3.9Å; V121-I131 HydrophobicContact CG1-CB 4.11Å; V121-I131 HydrophobicContact CG1-CD1 3.97Å; V121-I131 HydrophobicContact CG1-CG1 3.73Å; V121-I131 HydrophobicContact CG1-CG2 3.39Å; P122-I131 WeakPolarHBondContact O-CA 3.48Å; D129-I131 PolarHBondContact O-N 3.36Å
132	M	95.3	Very high	93.7	Very high	35 Å²	35	69.2 Å²	69.2	17%	0.172	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-91.8	166.1	178	-63.4	-167.2	55.5	0	0	112.1	D56 C58 H92 P122	D56-M132 HydrophobicContact CB-CE 3.86Å; D56-M132 HydrophobicContact CB-SD 4Å; D56-M132 VanDerWaalsContact O-CE 3.27Å; D56-M132 WeakPolarHBondContact O-CE 3.48Å; C58-M132 HydrophobicContact CB-CG 4.48Å; C58-M132 HydrophobicContact CB-SD 3.63Å; H92-M132 PolarHBondContact ND1-O 2.88Å; P122-M132 HydrophobicContact CB-CB 4.19Å; P122-M132 HydrophobicContact CG-CB 4.03Å; P122-M132 PolarHBondContact O-N 3.43Å
133	E	96.1	Very high	93.7	Very high	121 Å²	121	75.6 Å²	75.6	57%	0.565	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-78.7	144.7	169.5	-67	-170.5	172.8	0	0	110.2	K91	K91-E133 WeakPolarHBondContact CE-OE1 3.4Å; K91-E133 HydrophobicContact CG-CG 4.41Å; K91-E133 IonicContact NZ-OE1 3.36Å; K91-E133 PolarHBondContact NZ-OE1 3.38Å; K91-E133 VanDerWaalsContact O-CA 3.27Å; K91-E133 WeakPolarHBondContact O-CA 3.48Å
134	V	96.6	Very high	93.6	Very high	12 Å²	12	79.7 Å²	79.7	7%	0.073	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-93.2	127.5	178.7	177.6	0	0	0	0	109	T89 K91 L94 P122	T89-V134 HydrophobicContact CG2-CG1 3.66Å; K91-V134 PolarHBondContact O-N 3.43Å; L94-V134 HydrophobicContact CB-CG1 4.15Å; L94-V134 HydrophobicContact CD2-CG1 4.24Å; L94-V134 HydrophobicContact CD2-CG2 4.33Å; P122-V134 HydrophobicContact CG-CG2 3.7Å
135	P	95.4	Very high	93.7	Very high	5 Å²	5	83.3 Å²	83.3	3%	0.032	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-56.3	135.8	172.5	-27	36.8	0	0	0	111.5	H49 Q53	H49-P135 PolarHBondContact NE2-O 2.88Å; Q53-P135 HydrophobicContact CG-CB 4.09Å; Q53-P135 HydrophobicContact CG-CG 3.81Å
136	P	94.7	Very high	93.8	Very high	100 Å²	100	82.5 Å²	82.5	65%	0.649	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-67.1	146	177.5	28.3	-34.2	0	0	0	111.1
137	I	94.1	Very high	94.1	Very high	28 Å²	28	77.8 Å²	77.8	14%	0.144	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-93.4	157.7	170.2	60.3	173.9	0	0	0	111.4	H49 I86 T89 Y139	H49-I137 VanDerWaalsContact CE1-CG2 3.44Å; H49-I137 WeakPolarHBondContact CE1-CG2 3.44Å; I86-I137 HydrophobicContact CG2-CD1 4.23Å; I86-I137 HydrophobicContact CG2-CG2 4.07Å; T89-I137 HydrophobicContact CG2-CB 4.45Å; T89-I137 HydrophobicContact CG2-CD1 4.47Å; T89-I137 HydrophobicContact CG2-CG1 4.16Å; T89-I137 HydrophobicContact CG2-CG2 3.73Å; T89-I137 PolarHBondContact OG1-N 2.84Å; I137-Y139 HydrophobicContact CD1-CD1 4.1Å; I137-Y139 HydrophobicContact CD1-CE1 3.58Å; I137-Y139 HydrophobicContact CG1-CD1 4.26Å; I137-Y139 HydrophobicContact CG1-CE1 3.75Å; I137-Y139 HydrophobicContact CG1-CE2 4.02Å
138	K	93.4	Very high	94.3	Very high	177 Å²	177	73.8 Å²	73.8	77%	0.77	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-84.6	121.4	167.2	-68.3	179.7	179.5	174.1	0	108.7	M6	M6-K138 PolarHBondContact SD-NZ 3.36Å; M6-K138 VanDerWaalsContact SD-NZ 3.4Å
139	Y	93.3	Very high	94.8	Very high	51 Å²	51	76.6 Å²	76.6	20%	0.2	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-86.3	145	176.4	-60.7	-83.9	0	0	0	110.9	Y88 T89 I137 S141 E145	Y88-Y139 HydrophobicContact CD2-CE1 4.12Å; Y88-Y139 VanDerWaalsContact CD2-OH 3.29Å; Y88-Y139 WeakPolarHBondContact CD2-OH 3.27Å; T89-Y139 PolarHBondContact N-OH 3.46Å; I137-Y139 HydrophobicContact CD1-CD1 4.1Å; I137-Y139 HydrophobicContact CD1-CE1 3.58Å; I137-Y139 HydrophobicContact CG1-CD1 4.26Å; I137-Y139 HydrophobicContact CG1-CE1 3.75Å; I137-Y139 HydrophobicContact CG1-CE2 4.02Å; Y139-S141 PolarHBondContact O-N 2.88Å; Y139-E145 HydrophobicContact CD1-CB 3.93Å; Y139-E145 HydrophobicContact CD1-CG 4.45Å; Y139-E145 HydrophobicContact CD2-CB 3.76Å; Y139-E145 HydrophobicContact CD2-CG 3.78Å; Y139-E145 HydrophobicContact CE1-CB 4.17Å; Y139-E145 HydrophobicContact CE1-CG 4.27Å; Y139-E145 HydrophobicContact CE2-CB 4.03Å; Y139-E145 HydrophobicContact CE2-CG 3.58Å; Y139-E145 HydrophobicContact CG-CB 3.71Å; Y139-E145 HydrophobicContact CG-CG 4.23Å
140	A	91	Very high	95.1	Very high	104 Å²	104	77 Å²	77	86%	0.86	40%	0.396	S	S	*	.	S	Bend	trans	-64.8	-29.1	174	0	0	0	0	0	112.5
141	S	94.4	Very high	95.2	Very high	48 Å²	48	75.4 Å²	75.4	34%	0.336	39%	0.387	S	S	.	.			trans	-155.8	159	176	69.4	0	0	0	0	111.2	Y139 E143 K144 E145	Y139-S141 PolarHBondContact O-N 2.88Å; S141-E143 PolarHBondContact O-N 3.38Å; S141-K144 PolarHBondContact O-N 2.98Å; S141-K144 VanDerWaalsContact O-N 3.16Å; S141-K144 PolarHBondContact OG-N 3.39Å; S141-E145 PolarHBondContact O-N 2.96Å
142	A	94.8	Very high	95.3	Very high	81 Å²	81	73.6 Å²	73.6	67%	0.669	38%	0.375	S	S	*	.	H	α-helix	trans	-61.2	-28.9	172.6	0	0	0	0	0	112.3	E145 E146	A142-E145 PolarHBondContact O-N 2.95Å; A142-E146 PolarHBondContact O-N 3.5Å
143	E	95.6	Very high	95.3	Very high	134 Å²	134	77.3 Å²	77.3	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-64.4	-42.8	174.3	-176.1	178.1	-161.6	0	0	111.7	S141 E145 E146 E147	S141-E143 PolarHBondContact O-N 3.38Å; E143-E145 VanDerWaalsContact C-N 3.32Å; E143-E145 PolarHBondContact O-N 3.21Å; E143-E146 WeakPolarHBondContact O-CB 3.42Å; E143-E146 PolarHBondContact O-N 2.98Å; E143-E146 VanDerWaalsContact O-N 3.16Å; E143-E147 WeakPolarHBondContact O-CG 3.39Å; E143-E147 PolarHBondContact O-N 3.17Å
144	K	93.4	Very high	95.1	Very high	105 Å²	105	74.6 Å²	74.6	46%	0.457	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-38.7	176.9	-74.8	-72.1	165	-149.1	0	112.5	S141 E147 G148	S141-K144 PolarHBondContact O-N 2.98Å; S141-K144 VanDerWaalsContact O-N 3.16Å; S141-K144 PolarHBondContact OG-N 3.39Å; K144-E147 WeakPolarHBondContact CD-OE2 3.23Å; K144-E147 IonicContact NZ-OE1 2.73Å; K144-E147 IonicContact NZ-OE2 3.2Å; K144-E147 PolarHBondContact NZ-OE2 2.6Å; K144-G148 PolarHBondContact O-N 2.86Å
145	E	96	Very high	95	Very high	77 Å²	77	74.3 Å²	74.3	36%	0.36	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-43.9	173	-174.1	175.9	179.9	0	0	111.6	Y139 S141 A142 E143 G148 R149	Y139-E145 HydrophobicContact CD1-CB 3.93Å; Y139-E145 HydrophobicContact CD1-CG 4.45Å; Y139-E145 HydrophobicContact CD2-CB 3.76Å; Y139-E145 HydrophobicContact CD2-CG 3.78Å; Y139-E145 HydrophobicContact CE1-CB 4.17Å; Y139-E145 HydrophobicContact CE1-CG 4.27Å; Y139-E145 HydrophobicContact CE2-CB 4.03Å; Y139-E145 HydrophobicContact CE2-CG 3.58Å; Y139-E145 HydrophobicContact CG-CB 3.71Å; Y139-E145 HydrophobicContact CG-CG 4.23Å; S141-E145 PolarHBondContact O-N 2.96Å; A142-E145 PolarHBondContact O-N 2.95Å; E143-E145 VanDerWaalsContact C-N 3.32Å; E143-E145 PolarHBondContact O-N 3.21Å; E145-G148 PolarHBondContact O-N 2.93Å; E145-R149 WeakPolarHBondContact O-CB 3.35Å; E145-R149 PolarHBondContact O-N 2.91Å
146	E	96.8	Very high	94.7	Very high	57 Å²	57	78.6 Å²	78.6	27%	0.266	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-45.7	176.3	-121	-65.2	109.3	0	0	112.7	A142 E143 G148 R149 K150	A142-E146 PolarHBondContact O-N 3.5Å; E143-E146 WeakPolarHBondContact O-CB 3.42Å; E143-E146 PolarHBondContact O-N 2.98Å; E143-E146 VanDerWaalsContact O-N 3.16Å; E146-G148 VanDerWaalsContact C-N 3.31Å; E146-G148 PolarHBondContact O-N 3.42Å; E146-R149 VanDerWaalsContact CD-NH2 3.31Å; E146-R149 VanDerWaalsContact CG-NH2 3.31Å; E146-R149 PolarHBondContact O-N 3.25Å; E146-R149 IonicContact OE1-CZ 2.85Å; E146-R149 IonicContact OE1-NE 2.74Å; E146-R149 PolarHBondContact OE1-NE 3.41Å; E146-R149 IonicContact OE1-NH2 3.86Å; E146-R149 PolarHBondContact OE1-NH2 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 2.84Å; E146-K150 WeakPolarHBondContact OE2-CE 3.31Å; E146-K150 IonicContact OE2-NZ 2.64Å; E146-K150 PolarHBondContact OE2-NZ 3.32Å
147	E	96	Very high	94.3	Very high	66 Å²	66	79 Å²	79	31%	0.308	40%	0.402	S	S	.	.	H	α-helix	trans	-58.9	-44	175.8	-72.9	179.1	164.5	0	0	111	E143 K144 K150 R151	E143-E147 WeakPolarHBondContact O-CG 3.39Å; E143-E147 PolarHBondContact O-N 3.17Å; K144-E147 WeakPolarHBondContact CD-OE2 3.23Å; K144-E147 IonicContact NZ-OE1 2.73Å; K144-E147 IonicContact NZ-OE2 3.2Å; K144-E147 PolarHBondContact NZ-OE2 2.6Å; E147-K150 PolarHBondContact O-N 3.01Å; E147-R151 WeakPolarHBondContact O-CG 3.49Å; E147-R151 PolarHBondContact O-N 3.33Å; E147-R151 VanDerWaalsContact O-N 3.11Å; E147-R151 PolarHBondContact O-NH1 3.44Å
148	G	96.5	Very high	93.8	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-62.9	-43.5	175.4	0	0	0	0	0	112.7	Y88 K144 E145 E146 R151 Y152	Y88-G148 VanDerWaalsContact CD2-C 3.41Å; K144-G148 PolarHBondContact O-N 2.86Å; E145-G148 PolarHBondContact O-N 2.93Å; E146-G148 VanDerWaalsContact C-N 3.31Å; E146-G148 PolarHBondContact O-N 3.42Å; G148-R151 PolarHBondContact O-N 3.01Å; G148-Y152 WeakPolarHBondContact O-CB 3.47Å; G148-Y152 PolarHBondContact O-N 3.43Å
149	R	97.4	Very high	93.1	Very high	92 Å²	92	74 Å²	74	35%	0.347	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-44.8	175.8	177.5	169.3	55	-137.3	9.9	112	Y88 E145 E146 R151 Y152 E153	Y88-R149 HydrophobicContact CE2-CB 3.94Å; Y88-R149 VanDerWaalsContact CE2-N 3.32Å; E145-R149 WeakPolarHBondContact O-CB 3.35Å; E145-R149 PolarHBondContact O-N 2.91Å; E146-R149 VanDerWaalsContact CD-NH2 3.31Å; E146-R149 VanDerWaalsContact CG-NH2 3.31Å; E146-R149 PolarHBondContact O-N 3.25Å; E146-R149 IonicContact OE1-CZ 2.85Å; E146-R149 IonicContact OE1-NE 2.74Å; E146-R149 PolarHBondContact OE1-NE 3.41Å; E146-R149 IonicContact OE1-NH2 3.86Å; E146-R149 PolarHBondContact OE1-NH2 3.26Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.47Å; R149-Y152 WeakPolarHBondContact O-CB 3.27Å; R149-Y152 PolarHBondContact O-N 2.92Å; R149-Y152 VanDerWaalsContact O-N 3.17Å; R149-E153 WeakPolarHBondContact O-CG 3.48Å; R149-E153 PolarHBondContact O-N 3.02Å
150	K	96.9	Very high	92.2	Very high	125 Å²	125	77.8 Å²	77.8	54%	0.543	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-43.8	175	-78.9	169.3	167.6	144.2	0	112.1	E146 E147 E153 A154	E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 2.84Å; E146-K150 WeakPolarHBondContact OE2-CE 3.31Å; E146-K150 IonicContact OE2-NZ 2.64Å; E146-K150 PolarHBondContact OE2-NZ 3.32Å; E147-K150 PolarHBondContact O-N 3.01Å; K150-E153 PolarHBondContact O-N 2.97Å; K150-A154 WeakPolarHBondContact O-CB 3.49Å; K150-A154 PolarHBondContact O-N 3.16Å
151	R	96.8	Very high	91.2	Very high	75 Å²	75	79.3 Å²	79.3	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-41.1	174.9	-69.7	-169.9	-56.9	-85.7	0.1	112	E95 W119 E147 G148 R149 E153 A154 Q155	E95-R151 WeakPolarHBondContact OE1-CD 3.3Å; E95-R151 IonicContact OE1-CZ 3.41Å; E95-R151 IonicContact OE1-NE 2.78Å; E95-R151 PolarHBondContact OE1-NE 3.21Å; E95-R151 IonicContact OE1-NH2 2.7Å; E95-R151 IonicContact OE2-CZ 2.81Å; E95-R151 IonicContact OE2-NE 3.87Å; E95-R151 PolarHBondContact OE2-NE 2.97Å; E95-R151 VanDerWaalsContact OE2-NE 3.1Å; E95-R151 IonicContact OE2-NH2 2.74Å; E95-R151 PolarHBondContact OE2-NH2 3.26Å; W119-R151 HydrophobicContact CZ2-CB 4.48Å; E147-R151 WeakPolarHBondContact O-CG 3.49Å; E147-R151 PolarHBondContact O-N 3.33Å; E147-R151 VanDerWaalsContact O-N 3.11Å; E147-R151 PolarHBondContact O-NH1 3.44Å; G148-R151 PolarHBondContact O-N 3.01Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.47Å; R151-E153 PolarHBondContact O-N 3.41Å; R151-A154 PolarHBondContact O-N 3.29Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 3.15Å
152	Y	96.4	Very high	89.8	Confident	53 Å²	53	79.3 Å²	79.3	21%	0.208	39%	0.39	C	S	.	.	H	α-helix	trans	-60.4	-41.3	175.1	169.2	-105.7	0	0	0	113.1	Y88 W119 G148 R149 Q155 K156	Y88-Y152 HydrophobicContact CD1-CG 4.5Å; Y88-Y152 VanDerWaalsContact CE1-CB 3.46Å; Y88-Y152 HydrophobicContact CE1-CD1 4.28Å; Y88-Y152 HydrophobicContact CE1-CD2 4.24Å; Y88-Y152 AromaticContact CE1-CG 3.73Å; Y88-Y152 HydrophobicContact CE1-CG 3.73Å; W119-Y152 HydrophobicContact CE3-CD2 4.5Å; W119-Y152 VanDerWaalsContact CH2-CA 3.48Å; W119-Y152 AromaticContact CH2-CD2 4Å; W119-Y152 HydrophobicContact CH2-CD2 4Å; W119-Y152 HydrophobicContact CH2-CG 4.29Å; W119-Y152 AromaticContact CZ3-CD2 3.74Å; W119-Y152 HydrophobicContact CZ3-CD2 3.74Å; W119-Y152 HydrophobicContact CZ3-CG 4.42Å; G148-Y152 WeakPolarHBondContact O-CB 3.47Å; G148-Y152 PolarHBondContact O-N 3.43Å; R149-Y152 WeakPolarHBondContact O-CB 3.27Å; R149-Y152 PolarHBondContact O-N 2.92Å; R149-Y152 VanDerWaalsContact O-N 3.17Å; Y152-Q155 VanDerWaalsContact O-CG 3.26Å; Y152-Q155 WeakPolarHBondContact O-CG 3.36Å; Y152-Q155 PolarHBondContact O-NE2 3.5Å; Y152-K156 WeakPolarHBondContact O-CB 3.36Å; Y152-K156 PolarHBondContact O-N 2.85Å
153	E	95.6	Very high	88	Confident	113 Å²	113	83.6 Å²	83.6	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-69.8	-44.4	177	-71.3	178.1	175.1	0	0	111.4	R149 K150 R151 Q155 K156 L157	R149-E153 WeakPolarHBondContact O-CG 3.48Å; R149-E153 PolarHBondContact O-N 3.02Å; K150-E153 PolarHBondContact O-N 2.97Å; R151-E153 PolarHBondContact O-N 3.41Å; E153-Q155 PolarHBondContact O-N 2.96Å; E153-K156 WeakPolarHBondContact O-CB 3.49Å; E153-K156 PolarHBondContact O-N 2.9Å; E153-K156 VanDerWaalsContact O-N 3.15Å; E153-L157 PolarHBondContact O-N 2.91Å
154	A	92.8	Very high	85.7	Confident	64 Å²	64	81.6 Å²	81.6	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-46.8	178.1	0	0	0	0	0	112.3	K150 R151 K156 L157 G158	K150-A154 WeakPolarHBondContact O-CB 3.49Å; K150-A154 PolarHBondContact O-N 3.16Å; R151-A154 PolarHBondContact O-N 3.29Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.13Å; A154-L157 PolarHBondContact O-N 3.42Å; A154-G158 PolarHBondContact O-N 2.99Å
155	Q	92.8	Very high	83.8	Confident	6 Å²	6	83.3 Å²	83.3	3%	0.028	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-33.8	177.3	69.9	78	26.7	0	0	112.5	E66 W119 R151 Y152 E153 L157 G158 R159	E66-Q155 WeakPolarHBondContact OE1-CB 3.35Å; W119-Q155 HydrophobicContact CD2-CG 4.18Å; W119-Q155 HydrophobicContact CH2-CG 4.44Å; W119-Q155 HydrophobicContact CZ2-CG 3.75Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 3.15Å; Y152-Q155 VanDerWaalsContact O-CG 3.26Å; Y152-Q155 WeakPolarHBondContact O-CG 3.36Å; Y152-Q155 PolarHBondContact O-NE2 3.5Å; E153-Q155 PolarHBondContact O-N 2.96Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; Q155-G158 PolarHBondContact O-N 3.11Å; Q155-R159 WeakPolarHBondContact O-CG 3.14Å; Q155-R159 PolarHBondContact O-N 2.9Å
156	K	89.8	Confident	81.7	Confident	95 Å²	95	81.9 Å²	81.9	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-41.1	178.9	-172.5	179.4	177.6	-175.2	0	110.4	Y152 E153 A154 M160	Y152-K156 WeakPolarHBondContact O-CB 3.36Å; Y152-K156 PolarHBondContact O-N 2.85Å; E153-K156 WeakPolarHBondContact O-CB 3.49Å; E153-K156 PolarHBondContact O-N 2.9Å; E153-K156 VanDerWaalsContact O-N 3.15Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.13Å; K156-M160 PolarHBondContact O-N 2.79Å
157	L	87.1	Confident	79.6	Confident	107 Å²	107	87.8 Å²	87.8	56%	0.56	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-49.6	173.5	-174.6	63.1	0	0	0	111.3	E153 A154 Q155 R159 M160 E161	E153-L157 PolarHBondContact O-N 2.91Å; A154-L157 PolarHBondContact O-N 3.42Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; L157-R159 PolarHBondContact O-N 2.82Å; L157-M160 WeakPolarHBondContact O-CB 3.38Å; L157-M160 PolarHBondContact O-N 2.83Å; L157-E161 PolarHBondContact O-N 2.96Å
158	G	82.6	Confident	77.7	Confident	17 Å²	17	90 Å²	90	18%	0.175	44%	0.438	C	S	.	.	H	α-helix	trans	-59.7	-31.4	179.1	0	0	0	0	0	114	A154 Q155 T162	A154-G158 PolarHBondContact O-N 2.99Å; Q155-G158 PolarHBondContact O-N 3.11Å; G158-T162 PolarHBondContact O-N 2.91Å; G158-T162 VanDerWaalsContact O-N 3.16Å; G158-T162 PolarHBondContact O-OG1 3.25Å
159	R	79.4	Confident	75.7	Confident	85 Å²	85	95.3 Å²	95.3	32%	0.321	47%	0.473	S	S	.	.	H	α-helix	trans	-66.9	-36.8	172.8	-77.3	-169.3	-65.3	171.9	1.7	113.1	Q155 L157 E161 T162 K163	Q155-R159 WeakPolarHBondContact O-CG 3.14Å; Q155-R159 PolarHBondContact O-N 2.9Å; L157-R159 PolarHBondContact O-N 2.82Å; R159-E161 VanDerWaalsContact C-N 3.33Å; R159-T162 PolarHBondContact O-N 3.17Å; R159-K163 WeakPolarHBondContact O-CB 3.46Å; R159-K163 PolarHBondContact O-N 3.01Å
160	M	74.2	Confident	73.9	Confident	129 Å²	129	92 Å²	92	64%	0.635	46%	0.461	S	S	*	.	H	α-helix	trans	-65.2	-39.4	178.4	-66.9	-172.8	-178.9	0	0	111.3	K156 L157	K156-M160 PolarHBondContact O-N 2.79Å; L157-M160 WeakPolarHBondContact O-CB 3.38Å; L157-M160 PolarHBondContact O-N 2.83Å
161	E	69.9	Low	72	Confident	136 Å²	136	89.5 Å²	89.5	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-66.9	-36.6	176.1	-63.1	176.9	165.8	0	0	112.3	L157 R159	L157-E161 PolarHBondContact O-N 2.96Å; R159-E161 VanDerWaalsContact C-N 3.33Å
162	T	64.3	Low	70	Confident	48 Å²	48	92.7 Å²	92.7	29%	0.294	48%	0.48	S	S	.	.	H	α-helix	trans	-78.5	-27.9	-177.8	-45.1	0	0	0	0	112.9	G158 R159 A164 R165	G158-T162 PolarHBondContact O-N 2.91Å; G158-T162 VanDerWaalsContact O-N 3.16Å; G158-T162 PolarHBondContact O-OG1 3.25Å; R159-T162 PolarHBondContact O-N 3.17Å; T162-A164 PolarHBondContact O-N 2.91Å; T162-A164 VanDerWaalsContact O-N 3.09Å; T162-R165 PolarHBondContact O-N 3.22Å; T162-R165 VanDerWaalsContact O-N 3.17Å
163	K	57	Low	67.8	Low	171 Å²	171	93.7 Å²	93.7	74%	0.743	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.7	-177.7	-151.8	176.2	-176.9	-174.6	0	113.3	R159 R165	R159-K163 WeakPolarHBondContact O-CB 3.46Å; R159-K163 PolarHBondContact O-N 3.01Å; K163-R165 VanDerWaalsContact C-N 3.34Å
164	A	47.4	Very low	65.6	Low	92 Å²	92	91.3 Å²	91.3	76%	0.76	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-78.6	-8.2	178	0	0	0	0	0	114.9	T162	T162-A164 PolarHBondContact O-N 2.91Å; T162-A164 VanDerWaalsContact O-N 3.09Å
165	R	53.3	Low	63.6	Low	141 Å²	141	94 Å²	94	53%	0.532	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-105.9	12	-174.5	-64.4	-177.1	175.9	-141.7	-9.7	114.7	T162 K163 E167 E323	T162-R165 PolarHBondContact O-N 3.22Å; T162-R165 VanDerWaalsContact O-N 3.17Å; K163-R165 VanDerWaalsContact C-N 3.34Å; R165-E167 VanDerWaalsContact C-N 3.31Å; R165-E167 PolarHBondContact O-N 2.9Å; R165-E323 IonicContact CZ-OE2 2.75Å; R165-E323 IonicContact NH1-OE2 3.94Å; R165-E323 PolarHBondContact NH1-OE2 3.44Å; R165-E323 IonicContact NH2-OE2 3.13Å; R165-E323 PolarHBondContact NH2-OE2 2.86Å
166	V	53.6	Low	61.6	Low	48 Å²	48	100.1 Å²	100.1	29%	0.291	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.3	-166	179	0	0	0	0	113.9	R287	V166-R287 HydrophobicContact CG1-CB 4.5Å
167	E	51.1	Low	59.8	Low	181 Å²	181	104.3 Å²	104.3	85%	0.846	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	9.9	-166.7	-64	-172.3	171.4	0	0	116.2	R165 P169	R165-E167 VanDerWaalsContact C-N 3.31Å; R165-E167 PolarHBondContact O-N 2.9Å; E167-P169 WeakPolarHBondContact O-CD 3.38Å
168	E	55.9	Low	58.2	Low	111 Å²	111	105 Å²	105	52%	0.519	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-83.4	116.5	172.2	-72.4	-170.7	-173.7	0	0	110.9	M170 R287 K319	E168-M170 PolarHBondContact O-N 2.61Å; E168-R287 PolarHBondContact O-NH2 2.99Å; E168-K319 IonicContact OE1-NZ 2.8Å
169	P	55.5	Low	56.9	Low	113 Å²	113	105 Å²	105	73%	0.734	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-66.9	129.2	170.8	26.4	-30.4	0	0	0	108.7	E167	E167-P169 WeakPolarHBondContact O-CD 3.38Å
170	M	59.2	Low	55.7	Low	21 Å²	21	103 Å²	103	10%	0.103	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-74.8	127.3	168.7	-169	-177.8	-71.7	0	0	107.6	E168 L172 T256 R258 L272	E168-M170 PolarHBondContact O-N 2.61Å; M170-L172 PolarHBondContact O-N 2.72Å; M170-T256 HydrophobicContact SD-CG2 3.25Å; M170-T256 WeakPolarHBondContact SD-CG2 3.32Å; M170-R258 HydrophobicContact CE-CG 3.98Å; M170-R258 HydrophobicContact SD-CG 4.39Å; M170-L272 HydrophobicContact CB-CD1 3.9Å; M170-L272 HydrophobicContact CE-CB 4.14Å; M170-L272 HydrophobicContact CE-CD1 3.2Å; M170-L272 HydrophobicContact CE-CG 3.51Å; M170-L272 HydrophobicContact SD-CD1 4.42Å
171	P	56.7	Low	55.3	Low	73 Å²	73	105.4 Å²	105.4	47%	0.474	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-57.9	130.2	174.6	22.2	-30.3	0	0	0	108.6	Q190	P171-Q190 PolarHBondContact O-NE2 3.11Å
172	L	54.5	Low	56.1	Low	142 Å²	142	103.8 Å²	103.8	74%	0.743	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-55.4	144.1	168.8	-73.4	165	0	0	0	107.6	M170	M170-L172 PolarHBondContact O-N 2.72Å
173	R	51	Low	57.4	Low	75 Å²	75	109.8 Å²	109.8	28%	0.283	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-49.6	131.7	173	-161.1	-177.9	-170	-149.9	-3.2	107.7	Q190	R173-Q190 PolarHBondContact NE-O 2.88Å
174	P	49.8	Very low	59.2	Low	62 Å²	62	104.3 Å²	104.3	40%	0.403	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-51.7	152.5	166.9	-12.8	19.7	0	0	0	108.8	L176 D178	P174-L176 PolarHBondContact O-N 3.47Å; P174-D178 HydrophobicContact CB-CB 4.23Å
175	N	51.2	Low	61.5	Low	120 Å²	120	100 Å²	100	64%	0.642	50%	0.497	S	S	*	.			trans	-45.5	142.4	174.2	-85.6	-22.6	0	0	0	109.8	E177 D178 A179	N175-E177 PolarHBondContact O-N 2.88Å; N175-D178 WeakPolarHBondContact O-CA 3.29Å; N175-D178 PolarHBondContact O-N 3.2Å; N175-A179 PolarHBondContact O-N 2.81Å; N175-A179 VanDerWaalsContact O-N 3.13Å
176	L	50.5	Low	63.4	Low	136 Å²	136	93.5 Å²	93.5	71%	0.712	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-23.2	-178.9	-88.6	152.2	0	0	0	113.4	P174	P174-L176 PolarHBondContact O-N 3.47Å
177	E	52.5	Low	65.2	Low	183 Å²	183	91.7 Å²	91.7	86%	0.855	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-24.1	176.3	-64.8	178.9	161.7	0	0	113.5	N175	N175-E177 PolarHBondContact O-N 2.88Å
178	D	53.2	Low	67.2	Low	121 Å²	121	85.9 Å²	85.9	65%	0.647	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-1.1	-179.8	-64.9	-43.1	0	0	0	113.5	P174 N175	P174-D178 HydrophobicContact CB-CB 4.23Å; N175-D178 WeakPolarHBondContact O-CA 3.29Å; N175-D178 PolarHBondContact O-N 3.2Å
179	A	55.3	Low	69.1	Low	17 Å²	17	80.6 Å²	80.6	14%	0.14	41%	0.412	C	S	.	.	S	Bend	trans	-63.6	135	-179.3	0	0	0	0	0	110.2	N175 Q181	N175-A179 PolarHBondContact O-N 2.81Å; N175-A179 VanDerWaalsContact O-N 3.13Å; A179-Q181 PolarHBondContact O-N 2.87Å
180	P	54.3	Low	71	Confident	42 Å²	42	75.9 Å²	75.9	27%	0.273	38%	0.38	S	S	.	.			trans	-54.5	109.8	175	-21.1	29.5	0	0	0	109.4	E182	P180-E182 PolarHBondContact O-N 3.38Å
181	Q	65.1	Low	72.7	Confident	180 Å²	180	75.4 Å²	75.4	84%	0.841	38%	0.378	S	S	*	.			trans	-70.9	-11.1	174.4	-68.4	-161.5	-2.1	0	0	111.6	A179 R183	A179-Q181 PolarHBondContact O-N 2.87Å; Q181-R183 PolarHBondContact O-N 3.4Å
182	E	86.6	Confident	74.6	Confident	102 Å²	102	75.3 Å²	75.3	48%	0.477	38%	0.379	S	S	.	.	S	Bend	trans	-66.5	118.8	179.6	-173.9	162.4	-173.1	0	0	110.7	P180 T185 F188 K311	P180-E182 PolarHBondContact O-N 3.38Å; E182-T185 HydrophobicContact CB-CG2 4.1Å; E182-T185 HydrophobicContact CG-CG2 4.21Å; E182-T185 WeakPolarHBondContact O-CG2 3.5Å; E182-T185 PolarHBondContact O-OG1 3.23Å; E182-F188 WeakPolarHBondContact O-CB 3.39Å; E182-K311 HydrophobicContact CG-CD 4.34Å; E182-K311 IonicContact OE1-NZ 3.47Å; E182-K311 PolarHBondContact OE1-NZ 3.41Å
183	R	91.8	Very high	76.6	Confident	174 Å²	174	70.4 Å²	70.4	66%	0.657	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	146.3	178.9	-66.2	-174.4	-179.2	-178.6	0.4	111.1	Q181 T185 F188	Q181-R183 PolarHBondContact O-N 3.4Å; R183-T185 VanDerWaalsContact C-N 3.29Å; R183-T185 PolarHBondContact O-N 2.88Å; R183-F188 HydrophobicContact CG-CE2 4.03Å; R183-F188 HydrophobicContact CG-CZ 4Å
184	H	94.4	Very high	78.8	Confident	56 Å²	56	72.5 Å²	72.5	26%	0.259	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	18.3	175.9	-40.6	133.1	0	0	0	115.3	P309 L310 K311	H184-P309 WeakPolarHBondContact CB-O 3.37Å; H184-L310 WeakPolarHBondContact O-CD1 3.43Å; H184-K311 PolarHBondContact O-N 2.88Å
185	T	95.1	Very high	81	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-85.3	164.5	163.3	60.5	0	0	0	0	110.6	E182 R183 F188 K311 E313	E182-T185 HydrophobicContact CB-CG2 4.1Å; E182-T185 HydrophobicContact CG-CG2 4.21Å; E182-T185 WeakPolarHBondContact O-CG2 3.5Å; E182-T185 PolarHBondContact O-OG1 3.23Å; R183-T185 VanDerWaalsContact C-N 3.29Å; R183-T185 PolarHBondContact O-N 2.88Å; T185-F188 PolarHBondContact O-N 3.44Å; T185-F188 WeakPolarHBondContact OG1-CB 3.36Å; T185-F188 PolarHBondContact OG1-N 3.44Å; T185-K311 HydrophobicContact CG2-CB 4.07Å; T185-K311 HydrophobicContact CG2-CD 4.43Å; T185-E313 VanDerWaalsContact CG2-OE1 3.24Å; T185-E313 WeakPolarHBondContact CG2-OE1 3.38Å
186	V	94.1	Very high	83.2	Confident	6 Å²	6	71.4 Å²	71.4	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-47.5	174	178.8	0	0	0	0	110.3	F188 S189 Q190 R258 L310 E317	V186-F188 VanDerWaalsContact C-N 3.27Å; V186-F188 PolarHBondContact O-N 3.28Å; V186-S189 PolarHBondContact O-N 3.21Å; V186-S189 VanDerWaalsContact O-N 3.13Å; V186-S189 PolarHBondContact O-OG 3.38Å; V186-Q190 WeakPolarHBondContact O-CB 3.1Å; V186-Q190 PolarHBondContact O-N 3.01Å; V186-R258 HydrophobicContact CG1-CB 3.94Å; V186-L310 HydrophobicContact CG2-CD1 3.93Å; V186-L310 HydrophobicContact CG2-CD2 4.17Å; V186-L310 HydrophobicContact CG2-CG 4.35Å; V186-E317 WeakPolarHBondContact CB-OE1 3.34Å; V186-E317 HydrophobicContact CG2-CG 4.28Å; V186-E317 WeakPolarHBondContact CG2-OE2 3.43Å
187	G	91.6	Very high	85.4	Confident	10 Å²	10	65.2 Å²	65.2	10%	0.103	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-31.5	-179.3	0	0	0	0	0	114.6	S189	G187-S189 PolarHBondContact O-N 3.4Å
188	F	92.9	Very high	87.4	Confident	58 Å²	58	57.3 Å²	57.3	25%	0.254	29%	0.294	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176	179.6	-97.7	0	0	0	112.7	E182 R183 T185 V186 R227	E182-F188 WeakPolarHBondContact O-CB 3.39Å; R183-F188 HydrophobicContact CG-CE2 4.03Å; R183-F188 HydrophobicContact CG-CZ 4Å; T185-F188 PolarHBondContact O-N 3.44Å; T185-F188 WeakPolarHBondContact OG1-CB 3.36Å; T185-F188 PolarHBondContact OG1-N 3.44Å; V186-F188 VanDerWaalsContact C-N 3.27Å; V186-F188 PolarHBondContact O-N 3.28Å; F188-R227 WeakPolarHBondContact CE1-O 3.44Å
189	S	95.6	Very high	89.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-95	-23.8	-175.8	64.6	0	0	0	0	113.9	V186 G187 S191 L259	V186-S189 PolarHBondContact O-N 3.21Å; V186-S189 VanDerWaalsContact O-N 3.13Å; V186-S189 PolarHBondContact O-OG 3.38Å; G187-S189 PolarHBondContact O-N 3.4Å; S189-S191 PolarHBondContact O-N 3.15Å; S189-S191 PolarHBondContact O-OG 3.45Å; S189-L259 WeakPolarHBondContact OG-CD1 3.3Å
190	Q	95.4	Very high	91.4	Very high	15 Å²	15	60.8 Å²	60.8	7%	0.07	32%	0.324	C	S	.	.			trans	-51.4	128	-178.9	-177.3	175.6	-10.2	0	0	111.2	P171 R173 V186 G257 R258	P171-Q190 PolarHBondContact O-NE2 3.11Å; R173-Q190 PolarHBondContact NE-O 2.88Å; V186-Q190 WeakPolarHBondContact O-CB 3.1Å; V186-Q190 PolarHBondContact O-N 3.01Å; Q190-G257 WeakPolarHBondContact CA-O 3.38Å; Q190-R258 HydrophobicContact CB-CB 4.46Å; Q190-R258 HydrophobicContact CG-CB 4.23Å
191	S	96.1	Very high	93.4	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.07	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.6	-174.8	-61.8	0	0	0	0	110.5	S189 I223 R227 G257	S189-S191 PolarHBondContact O-N 3.15Å; S189-S191 PolarHBondContact O-OG 3.45Å; S191-I223 WeakPolarHBondContact OG-CG2 3.31Å; S191-R227 WeakPolarHBondContact OG-CD 3.39Å; S191-G257 PolarHBondContact N-O 3.46Å; S191-G257 VanDerWaalsContact N-O 3.11Å; S191-G257 PolarHBondContact O-N 2.75Å
192	S	96	Very high	94.9	Very high	71 Å²	71	51.9 Å²	51.9	50%	0.497	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.4	174.6	58.8	0	0	0	0	111.2	V255	S192-V255 CarbonylContact C-O 3.6Å; S192-V255 WeakPolarHBondContact CA-O 3.37Å
193	L	96.4	Very high	95.2	Very high	39 Å²	39	47.7 Å²	47.7	20%	0.204	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135	173	-178.9	153	0	0	0	107.9	H195 L216 V220 T254 V255	L193-H195 HydrophobicContact CD2-CB 3.78Å; L193-L216 HydrophobicContact CD2-CD2 4.06Å; L193-V220 HydrophobicContact CB-CG2 3.43Å; L193-V220 VanDerWaalsContact CB-CG2 3.43Å; L193-V220 HydrophobicContact CD1-CG2 4.42Å; L193-V220 HydrophobicContact CG-CG2 4.5Å; L193-T254 WeakPolarHBondContact O-CA 3.3Å; L193-V255 PolarHBondContact N-O 3.06Å; L193-V255 PolarHBondContact O-N 3.49Å
194	I	96.4	Very high	95.2	Very high	120 Å²	120	45.1 Å²	45.1	62%	0.615	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	128	174.2	-59.5	175.8	0	0	0	107.3	V252 V253 T254	I194-V252 HydrophobicContact CG2-CG1 3.42Å; I194-V252 VanDerWaalsContact CG2-CG1 3.42Å; I194-V253 CarbonylContact C-O 3.55Å; I194-V253 WeakPolarHBondContact CA-O 3.42Å; I194-T254 HydrophobicContact CG1-CG2 4.29Å
195	H	96.9	Very high	95	Very high	53 Å²	53	44 Å²	44	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.1	-178	-177.1	78.4	0	0	0	110.2	L193 D201 L216 V253	L193-H195 HydrophobicContact CD2-CB 3.78Å; H195-D201 IonicContact CD2-OD2 2.66Å; H195-D201 IonicContact CE1-OD2 2.91Å; H195-D201 IonicContact NE2-OD1 2.86Å; H195-D201 IonicContact NE2-OD2 2.87Å; H195-D201 PolarHBondContact NE2-OD2 3.11Å; H195-L216 HydrophobicContact CB-CD1 4.11Å; H195-V253 HydrophobicContact CB-CG2 3.7Å; H195-V253 PolarHBondContact N-O 3.46Å; H195-V253 WeakPolarHBondContact O-CG2 3.22Å; H195-V253 PolarHBondContact O-N 3.4Å
196	L	96.9	Very high	94.9	Very high	105 Å²	105	47 Å²	47	55%	0.55	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.2	170.6	177	64.4	0	0	0	108.5	G198 V252 L278	L196-G198 PolarHBondContact O-N 2.92Å; L196-G198 VanDerWaalsContact O-N 3.13Å; L196-V252 HydrophobicContact CD1-CG2 3.84Å; L196-L278 HydrophobicContact CD1-CD1 4.13Å
197	V	96.6	Very high	94.9	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	28%	0.282	C	S	.	.			trans	-68.9	111.3	-178.4	177.5	0	0	0	0	110.2	D201 C202 V208 I247 G250 C251 V253	V197-D201 HydrophobicContact CG1-CB 4.08Å; V197-C202 VanDerWaalsContact CG1-SG 3.56Å; V197-V208 HydrophobicContact CB-CG2 4.3Å; V197-V208 HydrophobicContact CG1-CG2 3.34Å; V197-V208 HydrophobicContact CG2-CG2 3.92Å; V197-I247 HydrophobicContact CG2-CG2 3.99Å; V197-G250 PolarHBondContact O-N 3Å; V197-C251 WeakPolarHBondContact CB-O 3.38Å; V197-C251 HydrophobicContact CG2-CB 4.49Å; V197-C251 WeakPolarHBondContact CG2-O 3.37Å; V197-C251 PolarHBondContact N-O 3.46Å; V197-V253 HydrophobicContact CG2-CG1 3.77Å; V197-V253 HydrophobicContact CG2-CG2 4.44Å
198	G	95.3	Very high	95.2	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	29%	0.285	C	S	.	.			trans	-94.4	173.3	178.2	0	0	0	0	0	113.4	L196 S200 D201	L196-G198 PolarHBondContact O-N 2.92Å; L196-G198 VanDerWaalsContact O-N 3.13Å; G198-S200 VanDerWaalsContact C-N 3.27Å; G198-S200 PolarHBondContact O-N 2.98Å; G198-D201 PolarHBondContact N-OD2 3.02Å; G198-D201 WeakPolarHBondContact O-CB 3.35Å; G198-D201 PolarHBondContact O-N 3.42Å; G198-D201 VanDerWaalsContact O-N 3.13Å
199	P	95.4	Very high	95.3	Very high	103 Å²	103	49.3 Å²	49.3	67%	0.669	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58.5	-35	177.4	-24.1	33.6	0	0	0	114.1	D201 C202 K249	P199-D201 PolarHBondContact O-N 3.21Å; P199-C202 PolarHBondContact O-N 3.27Å; P199-K249 HydrophobicContact CB-CD 4.41Å; P199-K249 HydrophobicContact CG-CD 4.3Å
200	S	95.6	Very high	95.4	Very high	108 Å²	108	49.7 Å²	49.7	76%	0.755	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-69.8	-15.6	179.4	53.2	0	0	0	0	114	G198 C202	G198-S200 VanDerWaalsContact C-N 3.27Å; G198-S200 PolarHBondContact O-N 2.98Å; S200-C202 VanDerWaalsContact C-N 3.32Å
201	D	97.1	Very high	95.5	Very high	21 Å²	21	49 Å²	49	11%	0.112	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-86	-13.2	177.5	-58.7	-35	0	0	0	111.9	H195 V197 G198 P199 V208 Y209 V212	H195-D201 IonicContact CD2-OD2 2.66Å; H195-D201 IonicContact CE1-OD2 2.91Å; H195-D201 IonicContact NE2-OD1 2.86Å; H195-D201 IonicContact NE2-OD2 2.87Å; H195-D201 PolarHBondContact NE2-OD2 3.11Å; V197-D201 HydrophobicContact CG1-CB 4.08Å; G198-D201 PolarHBondContact N-OD2 3.02Å; G198-D201 WeakPolarHBondContact O-CB 3.35Å; G198-D201 PolarHBondContact O-N 3.42Å; G198-D201 VanDerWaalsContact O-N 3.13Å; P199-D201 PolarHBondContact O-N 3.21Å; D201-V208 WeakPolarHBondContact O-CA 3.19Å; D201-Y209 PolarHBondContact O-N 3.45Å; D201-V212 HydrophobicContact CB-CG1 4.04Å
202	C	96.1	Very high	95.5	Very high	13 Å²	13	49.1 Å²	49.1	9%	0.088	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-108.6	149.1	-167.9	-66.5	0	0	0	0	113	V197 P199 S200 F207 Y209	V197-C202 VanDerWaalsContact CG1-SG 3.56Å; P199-C202 PolarHBondContact O-N 3.27Å; S200-C202 VanDerWaalsContact C-N 3.32Å; C202-F207 CarbonylContact C-O 3.51Å; C202-F207 VanDerWaalsContact CA-O 3.3Å; C202-F207 WeakPolarHBondContact CA-O 3.48Å; C202-Y209 VanDerWaalsContact O-CE2 3.23Å; C202-Y209 WeakPolarHBondContact O-CE2 3.33Å
203	T	94	Very high	95.6	Very high	15 Å²	15	46 Å²	46	9%	0.092	27%	0.265	C	S	.	.			trans	-63.5	169.8	162.2	63.9	0	0	0	0	111.1	L59 V205 D206 F207 Y209	L59-T203 VanDerWaalsContact CD2-CB 3.5Å; L59-T203 HydrophobicContact CD2-CG2 3.5Å; T203-V205 PolarHBondContact O-N 2.86Å; T203-V205 WeakPolarHBondContact OG1-CG2 3.4Å; T203-D206 PolarHBondContact O-N 3.5Å; T203-F207 WeakPolarHBondContact CB-O 3.4Å; T203-F207 WeakPolarHBondContact CG2-O 3.35Å; T203-F207 PolarHBondContact N-O 3.41Å; T203-F207 PolarHBondContact OG1-N 3.3Å; T203-F207 PolarHBondContact OG1-O 2.96Å; T203-Y209 HydrophobicContact CG2-CD1 3.73Å; T203-Y209 HydrophobicContact CG2-CD2 4.11Å; T203-Y209 HydrophobicContact CG2-CE1 3.56Å; T203-Y209 HydrophobicContact CG2-CE2 3.96Å; T203-Y209 HydrophobicContact CG2-CG 4Å
204	V	91.1	Very high	95.7	Very high	120 Å²	120	44.2 Å²	44.2	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.3	176.1	-61.9	0	0	0	0	114.7
205	V	91.3	Very high	95.8	Very high	33 Å²	33	41.3 Å²	41.3	20%	0.2	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	25.1	176.9	-70.1	0	0	0	0	112.7	L59 L125 V128 T203 F207	L59-V205 HydrophobicContact CD2-CG2 4.07Å; L125-V205 HydrophobicContact CD2-CG1 3.47Å; L125-V205 VanDerWaalsContact CD2-CG1 3.47Å; V128-V205 HydrophobicContact CG1-CB 4.08Å; V128-V205 HydrophobicContact CG1-CG1 4.24Å; T203-V205 PolarHBondContact O-N 2.86Å; T203-V205 WeakPolarHBondContact OG1-CG2 3.4Å; V205-F207 HydrophobicContact CB-CD2 4.47Å; V205-F207 HydrophobicContact CG2-CD2 3.96Å; V205-F207 WeakPolarHBondContact O-CD2 3.26Å; V205-F207 PolarHBondContact O-N 3.4Å
206	D	92.3	Very high	95.9	Very high	64 Å²	64	39.6 Å²	39.6	34%	0.342	23%	0.232	S	C	.	.	S	Bend	trans	62.9	21.9	172.6	-68	-21.3	0	0	0	115.5	T203 R248 K249	T203-D206 PolarHBondContact O-N 3.5Å; D206-R248 CarbonylContact O-C 3.58Å; D206-R248 WeakPolarHBondContact O-CA 3.44Å; D206-K249 HydrophobicContact CB-CB 4.05Å; D206-K249 PolarHBondContact O-N 2.98Å; D206-K249 WeakPolarHBondContact OD1-CE 3.31Å; D206-K249 IonicContact OD1-NZ 3.6Å; D206-K249 PolarHBondContact OD1-NZ 3.43Å; D206-K249 WeakPolarHBondContact OD2-CE 3.11Å; D206-K249 IonicContact OD2-NZ 3.59Å; D206-K249 PolarHBondContact OD2-NZ 2.97Å
207	F	94.8	Very high	96	Very high	24 Å²	24	34.6 Å²	34.6	11%	0.105	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-107.8	142.9	169.5	-64.2	-65.7	0	0	0	111.6	V128 C202 T203 V205 K246 I247 R248	V128-F207 HydrophobicContact CB-CE2 3.74Å; V128-F207 HydrophobicContact CB-CZ 4.44Å; V128-F207 HydrophobicContact CG1-CE2 4.04Å; V128-F207 HydrophobicContact CG2-CE2 3.76Å; V128-F207 HydrophobicContact CG2-CZ 3.98Å; C202-F207 CarbonylContact C-O 3.51Å; C202-F207 VanDerWaalsContact CA-O 3.3Å; C202-F207 WeakPolarHBondContact CA-O 3.48Å; T203-F207 WeakPolarHBondContact CB-O 3.4Å; T203-F207 WeakPolarHBondContact CG2-O 3.35Å; T203-F207 PolarHBondContact N-O 3.41Å; T203-F207 PolarHBondContact OG1-N 3.3Å; T203-F207 PolarHBondContact OG1-O 2.96Å; V205-F207 HydrophobicContact CB-CD2 4.47Å; V205-F207 HydrophobicContact CG2-CD2 3.96Å; V205-F207 WeakPolarHBondContact O-CD2 3.26Å; V205-F207 PolarHBondContact O-N 3.4Å; F207-K246 HydrophobicContact CD1-CB 3.56Å; F207-K246 HydrophobicContact CD1-CD 4.01Å; F207-K246 HydrophobicContact CD1-CG 4.33Å; F207-K246 HydrophobicContact CD2-CD 4.18Å; F207-K246 HydrophobicContact CE1-CB 3.74Å; F207-K246 HydrophobicContact CE1-CD 3.76Å; F207-K246 HydrophobicContact CE1-CG 4.4Å; F207-K246 HydrophobicContact CE2-CD 3.97Å; F207-K246 HydrophobicContact CG-CB 4.23Å; F207-K246 HydrophobicContact CG-CD 4.2Å; F207-K246 HydrophobicContact CZ-CD 3.73Å; F207-I247 CarbonylContact C-O 3.58Å; F207-I247 VanDerWaalsContact CA-O 3.31Å; F207-I247 WeakPolarHBondContact CA-O 3.44Å; F207-R248 HydrophobicContact CD1-CB 4.44Å; F207-R248 HydrophobicContact CE1-CB 4.44Å
208	V	96.6	Very high	96	Very high	28 Å²	28	34.4 Å²	34.4	17%	0.17	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-60	136.6	179.5	175.9	0	0	0	0	111.9	V197 D201 V212 I247	V197-V208 HydrophobicContact CB-CG2 4.3Å; V197-V208 HydrophobicContact CG1-CG2 3.34Å; V197-V208 HydrophobicContact CG2-CG2 3.92Å; D201-V208 WeakPolarHBondContact O-CA 3.19Å; V208-V212 HydrophobicContact CG1-CB 4.03Å; V208-V212 HydrophobicContact CG1-CG1 4.24Å; V208-I247 HydrophobicContact CB-CB 4.08Å; V208-I247 HydrophobicContact CG2-CB 3.8Å; V208-I247 HydrophobicContact CG2-CG2 3.74Å; V208-I247 PolarHBondContact N-O 3.36Å
209	Y	96	Very high	96.2	Very high	70 Å²	70	36.3 Å²	36.3	28%	0.275	21%	0.208	S	C	.	.			trans	-64.8	137.7	168.6	-79.2	-78.1	0	0	0	111.1	D201 C202 T203 G211 V212 A213	D201-Y209 PolarHBondContact O-N 3.45Å; C202-Y209 VanDerWaalsContact O-CE2 3.23Å; C202-Y209 WeakPolarHBondContact O-CE2 3.33Å; T203-Y209 HydrophobicContact CG2-CD1 3.73Å; T203-Y209 HydrophobicContact CG2-CD2 4.11Å; T203-Y209 HydrophobicContact CG2-CE1 3.56Å; T203-Y209 HydrophobicContact CG2-CE2 3.96Å; T203-Y209 HydrophobicContact CG2-CG 4Å; Y209-G211 PolarHBondContact O-N 3.49Å; Y209-V212 WeakPolarHBondContact O-CB 3.39Å; Y209-V212 PolarHBondContact O-N 2.89Å; Y209-A213 PolarHBondContact O-N 3Å
210	G	96.4	Very high	96.3	Very high	7 Å²	7	31.5 Å²	31.5	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-34.1	178.8	0	0	0	0	0	112.7	V212 A213 M214	G210-V212 VanDerWaalsContact C-N 3.31Å; G210-V212 PolarHBondContact O-N 2.93Å; G210-A213 PolarHBondContact O-N 2.97Å; G210-M214 WeakPolarHBondContact O-CG 3.34Å; G210-M214 PolarHBondContact O-N 2.79Å
211	G	97.3	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-33.4	175.8	0	0	0	0	0	113.9	E39 Y209 K215	E39-G211 PolarHBondContact OE2-N 3.36Å; Y209-G211 PolarHBondContact O-N 3.49Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 3.36Å
212	V	98	Very high	96.5	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-47.4	176.4	174.7	0	0	0	0	110.2	D201 V208 Y209 G210 M214 K215 L216	D201-V212 HydrophobicContact CB-CG1 4.04Å; V208-V212 HydrophobicContact CG1-CB 4.03Å; V208-V212 HydrophobicContact CG1-CG1 4.24Å; Y209-V212 WeakPolarHBondContact O-CB 3.39Å; Y209-V212 PolarHBondContact O-N 2.89Å; G210-V212 VanDerWaalsContact C-N 3.31Å; G210-V212 PolarHBondContact O-N 2.93Å; V212-M214 PolarHBondContact O-N 3.17Å; V212-K215 PolarHBondContact O-N 3.01Å; V212-L216 HydrophobicContact CG1-CD1 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.47Å; V212-L216 PolarHBondContact O-N 3.3Å; V212-L216 VanDerWaalsContact O-N 3.11Å
213	A	97.7	Very high	96.5	Very high	6 Å²	6	28.7 Å²	28.7	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-46.3	176.5	0	0	0	0	0	111.5	Y209 G210 K215 L216 M217 F243	Y209-A213 PolarHBondContact O-N 3Å; G210-A213 PolarHBondContact O-N 2.97Å; A213-K215 VanDerWaalsContact C-N 3.34Å; A213-K215 PolarHBondContact O-N 2.98Å; A213-L216 PolarHBondContact O-N 2.99Å; A213-M217 WeakPolarHBondContact O-CG 3.38Å; A213-M217 PolarHBondContact O-N 3.37Å; A213-F243 HydrophobicContact CB-CE1 4.14Å
214	M	98.3	Very high	96.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-36.8	178.2	-70.6	-173.3	-69.4	0	0	113.3	L35 E39 L62 V65 G210 V212 M217 D218 I241 F243	L35-M214 HydrophobicContact CB-CB 4.06Å; L35-M214 HydrophobicContact CB-CE 4.32Å; L35-M214 HydrophobicContact CB-SD 4.26Å; L35-M214 HydrophobicContact CD1-CB 4.2Å; L35-M214 HydrophobicContact CD2-SD 4.45Å; E39-M214 HydrophobicContact CB-CE 3.71Å; E39-M214 HydrophobicContact CG-CE 4.08Å; L62-M214 HydrophobicContact CD2-CE 3.91Å; V65-M214 HydrophobicContact CG2-CE 4.31Å; V65-M214 HydrophobicContact CG2-SD 3.8Å; G210-M214 WeakPolarHBondContact O-CG 3.34Å; G210-M214 PolarHBondContact O-N 2.79Å; V212-M214 PolarHBondContact O-N 3.17Å; M214-M217 PolarHBondContact O-N 3.01Å; M214-D218 PolarHBondContact O-N 2.83Å; M214-I241 HydrophobicContact CG-CD1 3.85Å; M214-I241 HydrophobicContact SD-CD1 3.67Å; M214-F243 HydrophobicContact CG-CZ 4.02Å; M214-F243 HydrophobicContact SD-CZ 4.37Å
215	K	98.4	Very high	97	Very high	60 Å²	60	22.2 Å²	22.2	26%	0.261	12%	0.115	S	C	.	.	H	α-helix	trans	-61.2	-48.8	174.6	179.7	179.7	-179.9	-75.8	0	111.4	I33 K36 G211 V212 A213 M217 D218 E219	I33-K215 HydrophobicContact CD1-CD 4Å; I33-K215 VanDerWaalsContact CD1-CE 3.42Å; K36-K215 HydrophobicContact CD-CD 4.29Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 3.36Å; V212-K215 PolarHBondContact O-N 3.01Å; A213-K215 VanDerWaalsContact C-N 3.34Å; A213-K215 PolarHBondContact O-N 2.98Å; K215-M217 VanDerWaalsContact C-N 3.29Å; K215-M217 PolarHBondContact O-N 2.89Å; K215-D218 PolarHBondContact O-N 2.9Å; K215-E219 IonicContact NZ-OE1 2.79Å; K215-E219 PolarHBondContact NZ-OE1 2.91Å; K215-E219 WeakPolarHBondContact O-CG 3.25Å; K215-E219 PolarHBondContact O-N 2.95Å
216	L	98.3	Very high	97.3	Very high	17 Å²	17	24.7 Å²	24.7	9%	0.089	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-36.7	177.9	-63.5	174.5	0	0	0	111.8	L193 H195 V212 A213 E219 V220 V253 V255	L193-L216 HydrophobicContact CD2-CD2 4.06Å; H195-L216 HydrophobicContact CB-CD1 4.11Å; V212-L216 HydrophobicContact CG1-CD1 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.47Å; V212-L216 PolarHBondContact O-N 3.3Å; V212-L216 VanDerWaalsContact O-N 3.11Å; A213-L216 PolarHBondContact O-N 2.99Å; L216-E219 PolarHBondContact O-N 2.88Å; L216-V220 PolarHBondContact O-N 3.27Å; L216-V220 VanDerWaalsContact O-N 3.15Å; L216-V253 HydrophobicContact CD1-CG2 4.21Å; L216-V255 HydrophobicContact CB-CG2 4.05Å
217	M	98.4	Very high	97.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-45	175.7	-68.6	171.7	84.3	0	0	112.3	A213 M214 K215 V220 A221 V255 V271 V273 V289 A291 F293	A213-M217 WeakPolarHBondContact O-CG 3.38Å; A213-M217 PolarHBondContact O-N 3.37Å; M214-M217 PolarHBondContact O-N 3.01Å; K215-M217 VanDerWaalsContact C-N 3.29Å; K215-M217 PolarHBondContact O-N 2.89Å; M217-V220 PolarHBondContact O-N 3.39Å; M217-A221 WeakPolarHBondContact O-CB 3.22Å; M217-A221 PolarHBondContact O-N 2.87Å; M217-V255 HydrophobicContact CG-CG1 4.27Å; M217-V271 HydrophobicContact CB-CB 4.45Å; M217-V271 HydrophobicContact CB-CG1 3.83Å; M217-V271 HydrophobicContact CE-CB 4.09Å; M217-V271 HydrophobicContact CE-CG1 4.18Å; M217-V271 HydrophobicContact CG-CG1 3.84Å; M217-V273 HydrophobicContact CE-CG2 4.18Å; M217-V273 HydrophobicContact CG-CG2 3.43Å; M217-V273 VanDerWaalsContact CG-CG2 3.43Å; M217-V273 HydrophobicContact SD-CG2 3.7Å; M217-V289 HydrophobicContact CE-CG1 3.94Å; M217-V289 HydrophobicContact SD-CB 4.25Å; M217-V289 HydrophobicContact SD-CG1 3.72Å; M217-A291 HydrophobicContact CE-CB 3.45Å; M217-A291 VanDerWaalsContact CE-CB 3.45Å; M217-F293 HydrophobicContact CB-CE2 3.81Å; M217-F293 HydrophobicContact CB-CZ 3.78Å; M217-F293 HydrophobicContact CE-CE2 4.2Å
218	D	98.4	Very high	97.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-37.2	177.6	-172.7	77.9	0	0	0	112	G31 G32 M214 K215 A221 G222 T235 F293	G31-D218 PolarHBondContact N-OD2 2.9Å; G32-D218 PolarHBondContact N-OD2 2.81Å; M214-D218 PolarHBondContact O-N 2.83Å; K215-D218 PolarHBondContact O-N 2.9Å; D218-A221 PolarHBondContact O-N 2.81Å; D218-G222 PolarHBondContact O-N 2.65Å; D218-T235 WeakPolarHBondContact OD1-CG2 3.23Å; D218-T235 PolarHBondContact OD1-OG1 3.47Å; D218-F293 HydrophobicContact CB-CE1 3.84Å; D218-F293 HydrophobicContact CB-CZ 4.43Å
219	E	97.8	Very high	97.5	Very high	58 Å²	58	26 Å²	26	27%	0.271	12%	0.122	S	C	.	.	H	α-helix	trans	-59.6	-50.1	174.2	-76.8	173.8	-171.9	0	0	111.8	K215 L216 G222 I223	K215-E219 IonicContact NZ-OE1 2.79Å; K215-E219 PolarHBondContact NZ-OE1 2.91Å; K215-E219 WeakPolarHBondContact O-CG 3.25Å; K215-E219 PolarHBondContact O-N 2.95Å; L216-E219 PolarHBondContact O-N 2.88Å; E219-G222 PolarHBondContact O-N 3Å; E219-I223 VanDerWaalsContact O-CG1 3.3Å; E219-I223 WeakPolarHBondContact O-CG1 3.41Å; E219-I223 PolarHBondContact O-N 2.81Å
220	V	98.3	Very high	97.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-43.7	178.5	174.3	0	0	0	0	111.1	L193 L216 M217 G222 I223 V224 V255	L193-V220 HydrophobicContact CB-CG2 3.43Å; L193-V220 VanDerWaalsContact CB-CG2 3.43Å; L193-V220 HydrophobicContact CD1-CG2 4.42Å; L193-V220 HydrophobicContact CG-CG2 4.5Å; L216-V220 PolarHBondContact O-N 3.27Å; L216-V220 VanDerWaalsContact O-N 3.15Å; M217-V220 PolarHBondContact O-N 3.39Å; V220-G222 VanDerWaalsContact C-N 3.3Å; V220-G222 PolarHBondContact O-N 3.1Å; V220-I223 PolarHBondContact O-N 3.04Å; V220-V224 VanDerWaalsContact O-CG2 3.31Å; V220-V224 WeakPolarHBondContact O-CG2 3.18Å; V220-V224 PolarHBondContact O-N 2.79Å; V220-V255 HydrophobicContact CB-CG1 3.93Å; V220-V255 HydrophobicContact CG1-CG1 4.4Å; V220-V255 HydrophobicContact CG2-CB 3.9Å; V220-V255 HydrophobicContact CG2-CG1 3.65Å
221	A	98.4	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-40.2	175.7	0	0	0	0	0	112.1	M217 D218 I223 V224 A225 I269 V271 F293 F295	M217-A221 WeakPolarHBondContact O-CB 3.22Å; M217-A221 PolarHBondContact O-N 2.87Å; D218-A221 PolarHBondContact O-N 2.81Å; A221-I223 PolarHBondContact O-N 3.43Å; A221-V224 PolarHBondContact O-N 2.73Å; A221-A225 WeakPolarHBondContact O-CB 3.48Å; A221-A225 PolarHBondContact O-N 2.74Å; A221-I269 HydrophobicContact CB-CB 4.44Å; A221-I269 HydrophobicContact CB-CD1 4.38Å; A221-I269 HydrophobicContact CB-CG2 4.04Å; A221-I269 WeakPolarHBondContact O-CD1 3.41Å; A221-V271 HydrophobicContact CB-CG2 3.81Å; A221-F293 HydrophobicContact CB-CB 3.98Å; A221-F293 HydrophobicContact CB-CD1 4.33Å; A221-F293 HydrophobicContact CB-CD2 4.38Å; A221-F293 HydrophobicContact CB-CG 3.99Å; A221-F295 HydrophobicContact CB-CD2 4.25Å; A221-F295 HydrophobicContact CB-CE2 3.43Å; A221-F295 VanDerWaalsContact CB-CE2 3.43Å; A221-F295 HydrophobicContact CB-CZ 4.02Å
222	G	97.8	Very high	97.1	Very high	11 Å²	11	27.7 Å²	27.7	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-43.2	175.6	0	0	0	0	0	112.4	D218 E219 V220 A225 F226 I233	D218-G222 PolarHBondContact O-N 2.65Å; E219-G222 PolarHBondContact O-N 3Å; V220-G222 VanDerWaalsContact C-N 3.3Å; V220-G222 PolarHBondContact O-N 3.1Å; G222-A225 PolarHBondContact O-N 2.88Å; G222-F226 VanDerWaalsContact O-CB 3.25Å; G222-F226 WeakPolarHBondContact O-CB 3.48Å; G222-F226 PolarHBondContact O-N 2.86Å; G222-I233 VanDerWaalsContact CA-CD1 3.5Å; G222-I233 VanDerWaalsContact O-CD1 3.31Å; G222-I233 WeakPolarHBondContact O-CD1 3.47Å
223	I	97.5	Very high	97	Very high	72 Å²	72	28 Å²	28	37%	0.369	15%	0.151	S	C	.	.	H	α-helix	trans	-62.3	-44.8	175.3	-66.7	163.1	0	0	0	110.9	S191 E219 V220 A221 F226 R227	S191-I223 WeakPolarHBondContact OG-CG2 3.31Å; E219-I223 VanDerWaalsContact O-CG1 3.3Å; E219-I223 WeakPolarHBondContact O-CG1 3.41Å; E219-I223 PolarHBondContact O-N 2.81Å; V220-I223 PolarHBondContact O-N 3.04Å; A221-I223 PolarHBondContact O-N 3.43Å; I223-F226 PolarHBondContact O-N 3.4Å; I223-R227 HydrophobicContact CG2-CG 4.48Å; I223-R227 WeakPolarHBondContact O-CB 3.49Å; I223-R227 WeakPolarHBondContact O-CG 3.39Å; I223-R227 PolarHBondContact O-N 2.81Å
224	V	97.9	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-49.3	177.4	172.3	0	0	0	0	110.7	V220 A221 F226 R227 H228 G257 L259 I269	V220-V224 VanDerWaalsContact O-CG2 3.31Å; V220-V224 WeakPolarHBondContact O-CG2 3.18Å; V220-V224 PolarHBondContact O-N 2.79Å; A221-V224 PolarHBondContact O-N 2.73Å; V224-F226 PolarHBondContact O-N 2.73Å; V224-R227 PolarHBondContact O-N 3.43Å; V224-H228 PolarHBondContact O-N 3.43Å; V224-H228 VanDerWaalsContact O-N 3.08Å; V224-G257 WeakPolarHBondContact CG2-O 3.39Å; V224-L259 HydrophobicContact CG1-CG 4Å; V224-I269 HydrophobicContact CB-CD1 4.1Å; V224-I269 HydrophobicContact CB-CG2 4.26Å; V224-I269 HydrophobicContact CG1-CD1 3.94Å; V224-I269 HydrophobicContact CG1-CG1 4.08Å; V224-I269 HydrophobicContact CG1-CG2 4.08Å
225	A	98	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.6	0	0	0	0	0	111.9	A221 G222 H228 C229 I233 M267 I269 F295	A221-A225 WeakPolarHBondContact O-CB 3.48Å; A221-A225 PolarHBondContact O-N 2.74Å; G222-A225 PolarHBondContact O-N 2.88Å; A225-H228 PolarHBondContact O-N 3.32Å; A225-C229 PolarHBondContact O-N 2.86Å; A225-I233 HydrophobicContact CB-CB 4.24Å; A225-I233 HydrophobicContact CB-CD1 4.09Å; A225-I233 HydrophobicContact CB-CG1 4.23Å; A225-I233 HydrophobicContact CB-CG2 4.15Å; A225-M267 HydrophobicContact CB-CE 3.81Å; A225-M267 HydrophobicContact CB-SD 4.1Å; A225-I269 HydrophobicContact CB-CD1 3.72Å; A225-F295 HydrophobicContact CB-CB 3.85Å; A225-F295 HydrophobicContact CB-CD1 3.99Å; A225-F295 HydrophobicContact CB-CG 3.86Å
226	F	96.4	Very high	96.7	Very high	84 Å²	84	27.8 Å²	27.8	37%	0.368	16%	0.157	S	C	.	.	H	α-helix	trans	-64	-44.1	179.1	-174.6	-97.3	0	0	0	111.6	F25 G222 I223 V224 H228 C229 G230 T231 I233	F25-F226 HydrophobicContact CE1-CD2 4.48Å; F25-F226 AromaticContact CE1-CE2 3.91Å; F25-F226 HydrophobicContact CE1-CE2 3.91Å; F25-F226 HydrophobicContact CE1-CZ 4.42Å; F25-F226 AromaticContact CZ-CE2 3.77Å; F25-F226 HydrophobicContact CZ-CE2 3.77Å; F25-F226 HydrophobicContact CZ-CZ 4.34Å; G222-F226 VanDerWaalsContact O-CB 3.25Å; G222-F226 WeakPolarHBondContact O-CB 3.48Å; G222-F226 PolarHBondContact O-N 2.86Å; I223-F226 PolarHBondContact O-N 3.4Å; V224-F226 PolarHBondContact O-N 2.73Å; F226-H228 VanDerWaalsContact C-N 3.28Å; F226-H228 PolarHBondContact O-N 3.44Å; F226-C229 PolarHBondContact O-N 3.16Å; F226-G230 WeakPolarHBondContact O-CA 3.5Å; F226-G230 PolarHBondContact O-N 3.3Å; F226-T231 WeakPolarHBondContact CD2-O 3.13Å; F226-T231 WeakPolarHBondContact CE2-O 3.24Å; F226-I233 HydrophobicContact CB-CG1 4.08Å; F226-I233 HydrophobicContact CD2-CG1 4.45Å
227	R	96.3	Very high	96.6	Very high	120 Å²	120	27.5 Å²	27.5	45%	0.453	16%	0.156	S	C	.	.	H	α-helix	trans	-58.7	-40.9	175.6	-80	-173	133.2	96.5	8	112	F188 S191 I223 V224	F188-R227 WeakPolarHBondContact CE1-O 3.44Å; S191-R227 WeakPolarHBondContact OG-CD 3.39Å; I223-R227 HydrophobicContact CG2-CG 4.48Å; I223-R227 WeakPolarHBondContact O-CB 3.49Å; I223-R227 WeakPolarHBondContact O-CG 3.39Å; I223-R227 PolarHBondContact O-N 2.81Å; V224-R227 PolarHBondContact O-N 3.43Å
228	H	96.9	Very high	96.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-71.5	-42.3	-179.5	-170.6	72.4	0	0	0	113.3	V224 A225 F226 L259 M267 P308	V224-H228 PolarHBondContact O-N 3.43Å; V224-H228 VanDerWaalsContact O-N 3.08Å; A225-H228 PolarHBondContact O-N 3.32Å; F226-H228 VanDerWaalsContact C-N 3.28Å; F226-H228 PolarHBondContact O-N 3.44Å; H228-L259 HydrophobicContact CB-CD1 3.78Å; H228-L259 VanDerWaalsContact CG-CD1 3.42Å; H228-L259 WeakPolarHBondContact ND1-CD1 3.44Å; H228-M267 HydrophobicContact CB-SD 4.27Å; H228-P308 PolarHBondContact NE2-O 3.16Å
229	C	95.8	Very high	96.2	Very high	19 Å²	19	28.3 Å²	28.3	13%	0.128	16%	0.16	C	C	.	.	H	α-helix	trans	-95.8	-27.3	-173.2	-72.3	0	0	0	0	115.2	A225 F226 T231 I233 M267	A225-C229 PolarHBondContact O-N 2.86Å; F226-C229 PolarHBondContact O-N 3.16Å; C229-T231 WeakPolarHBondContact CB-OG1 3.38Å; C229-T231 PolarHBondContact O-N 3.04Å; C229-I233 HydrophobicContact CB-CG2 4.38Å; C229-M267 WeakPolarHBondContact SG-CE 3.38Å; C229-M267 PolarHBondContact SG-SD 2.95Å
230	G	93.2	Very high	95.9	Very high	58 Å²	58	27 Å²	27	60%	0.598	16%	0.16	S	C	*	.			trans	61.1	23	-174.3	0	0	0	0	0	114.9	F226	F226-G230 WeakPolarHBondContact O-CA 3.5Å; F226-G230 PolarHBondContact O-N 3.3Å
231	T	93.8	Very high	95.7	Very high	45 Å²	45	27 Å²	27	28%	0.276	16%	0.16	S	C	.	.	S	Bend	trans	-134.2	177.1	-174.3	50.7	0	0	0	0	111	F226 C229 I233 S297 L305	F226-T231 WeakPolarHBondContact CD2-O 3.13Å; F226-T231 WeakPolarHBondContact CE2-O 3.24Å; C229-T231 WeakPolarHBondContact CB-OG1 3.38Å; C229-T231 PolarHBondContact O-N 3.04Å; T231-I233 PolarHBondContact O-N 3.33Å; T231-S297 PolarHBondContact OG1-OG 2.86Å; T231-L305 HydrophobicContact CG2-CD1 4.12Å
232	N	93.5	Very high	95.2	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.053	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131.6	173.2	-172.3	20.7	0	0	0	109.7	N24 M26 N28 S297 L298	N24-N232 PolarHBondContact ND2-OD1 3.27Å; M26-N232 HydrophobicContact CG-CB 4.06Å; N28-N232 PolarHBondContact OD1-ND2 3.44Å; N232-S297 CarbonylContact O-C 3.58Å; N232-S297 WeakPolarHBondContact O-CA 3.4Å; N232-L298 HydrophobicContact CB-CB 4.5Å; N232-L298 PolarHBondContact O-N 2.91Å
233	I	96	Very high	95	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.108	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142	-177.9	55.6	96.9	0	0	0	109.7	N24 G222 A225 F226 C229 T231 M267 F295 I296	N24-I233 PolarHBondContact ND2-O 3.11Å; G222-I233 VanDerWaalsContact CA-CD1 3.5Å; G222-I233 VanDerWaalsContact O-CD1 3.31Å; G222-I233 WeakPolarHBondContact O-CD1 3.47Å; A225-I233 HydrophobicContact CB-CB 4.24Å; A225-I233 HydrophobicContact CB-CD1 4.09Å; A225-I233 HydrophobicContact CB-CG1 4.23Å; A225-I233 HydrophobicContact CB-CG2 4.15Å; F226-I233 HydrophobicContact CB-CG1 4.08Å; F226-I233 HydrophobicContact CD2-CG1 4.45Å; C229-I233 HydrophobicContact CB-CG2 4.38Å; T231-I233 PolarHBondContact O-N 3.33Å; I233-M267 HydrophobicContact CG2-CE 4.2Å; I233-F295 HydrophobicContact CB-CD1 4.24Å; I233-F295 HydrophobicContact CD1-CD1 3.6Å; I233-F295 HydrophobicContact CD1-CE1 3.54Å; I233-I296 WeakPolarHBondContact CA-O 3.48Å
234	V	95.7	Very high	94.6	Very high	24 Å²	24	28.2 Å²	28.2	15%	0.145	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.9	175.8	-60.4	0	0	0	0	110.5	N28 A236 F295 I296 L298	N28-V234 HydrophobicContact CB-CG1 3.98Å; V234-A236 PolarHBondContact O-N 3.43Å; V234-F295 VanDerWaalsContact C-CD1 3.44Å; V234-F295 WeakPolarHBondContact O-CA 3.49Å; V234-F295 WeakPolarHBondContact O-CD1 3.44Å; V234-I296 HydrophobicContact CG2-CD1 3.86Å; V234-I296 HydrophobicContact CG2-CG1 3.47Å; V234-I296 VanDerWaalsContact CG2-CG1 3.47Å; V234-I296 PolarHBondContact N-O 2.64Å; V234-I296 VanDerWaalsContact N-O 3.07Å; V234-I296 PolarHBondContact O-N 2.89Å; V234-L298 HydrophobicContact CB-CD1 4.41Å; V234-L298 HydrophobicContact CG1-CD1 3.8Å; V234-L298 HydrophobicContact CG2-CD1 3.65Å; V234-L298 HydrophobicContact CG2-CG 4.03Å
235	T	97.1	Very high	94.3	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.074	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.4	175.2	-40.1	0	0	0	0	108.9	F70 D218 V238 F293 F295	F70-T235 VanDerWaalsContact CB-O 3.26Å; F70-T235 WeakPolarHBondContact CB-O 3.03Å; F70-T235 HydrophobicContact CD2-CG2 3.92Å; F70-T235 WeakPolarHBondContact CD2-O 3.37Å; F70-T235 HydrophobicContact CE2-CG2 3.57Å; F70-T235 WeakPolarHBondContact CG-O 3.47Å; F70-T235 HydrophobicContact CZ-CG2 4.34Å; D218-T235 WeakPolarHBondContact OD1-CG2 3.23Å; D218-T235 PolarHBondContact OD1-OG1 3.47Å; T235-V238 HydrophobicContact CG2-CG2 4.09Å; T235-F293 HydrophobicContact CG2-CD1 3.98Å; T235-F295 HydrophobicContact CG2-CE2 4.13Å; T235-F295 HydrophobicContact CG2-CZ 4.14Å; T235-F295 WeakPolarHBondContact OG1-CE1 3.31Å; T235-F295 WeakPolarHBondContact OG1-CZ 3.29Å
236	A	95.9	Very high	94	Very high	25 Å²	25	37.9 Å²	37.9	21%	0.207	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-39.1	179.3	0	0	0	0	0	112	F70 V234 T294 I296	F70-A236 PolarHBondContact N-O 3.39Å; V234-A236 PolarHBondContact O-N 3.43Å; A236-T294 HydrophobicContact CB-CG2 4.46Å; A236-T294 PolarHBondContact N-O 2.98Å; A236-I296 HydrophobicContact CB-CG1 4.33Å; A236-I296 HydrophobicContact CB-CG2 3.87Å
237	S	95.9	Very high	93.9	Very high	11 Å²	11	34.4 Å²	34.4	8%	0.077	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	158.9	173.2	60.7	0	0	0	0	111.5	T68 T294	T68-S237 CarbonylContact O-C 3.56Å; T68-S237 WeakPolarHBondContact O-CA 3.36Å; T68-S237 VanDerWaalsContact O-CB 3.3Å; T68-S237 WeakPolarHBondContact O-CB 3.36Å; S237-T294 PolarHBondContact N-O 3.47Å; S237-T294 PolarHBondContact O-N 2.78Å; S237-T294 WeakPolarHBondContact OG-CB 3.36Å; S237-T294 PolarHBondContact OG-OG1 3.29Å
238	V	95.8	Very high	93.8	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	167.8	-167	0	0	0	0	107.3	L35 K67 T68 F70 T235 I241 A291 F293	L35-V238 HydrophobicContact CD1-CG2 4.13Å; K67-V238 WeakPolarHBondContact CA-O 3.46Å; T68-V238 PolarHBondContact N-O 3.27Å; T68-V238 PolarHBondContact O-N 2.81Å; F70-V238 HydrophobicContact CE2-CG2 4.08Å; T235-V238 HydrophobicContact CG2-CG2 4.09Å; V238-I241 HydrophobicContact CG1-CD1 3.73Å; V238-I241 HydrophobicContact CG1-CG1 3.89Å; V238-A291 HydrophobicContact CG1-CB 4.37Å; V238-F293 HydrophobicContact CB-CD1 4.45Å; V238-F293 HydrophobicContact CB-CE1 4.38Å; V238-F293 HydrophobicContact CG1-CD1 4.17Å; V238-F293 HydrophobicContact CG1-CD2 4.15Å; V238-F293 HydrophobicContact CG1-CE1 3.95Å; V238-F293 HydrophobicContact CG1-CE2 3.93Å; V238-F293 HydrophobicContact CG1-CG 4.25Å; V238-F293 HydrophobicContact CG1-CZ 3.82Å; V238-F293 HydrophobicContact CG2-CD1 3.54Å; V238-F293 HydrophobicContact CG2-CE1 3.45Å; V238-F293 VanDerWaalsContact CG2-CE1 3.45Å; V238-F293 HydrophobicContact CG2-CG 4.29Å; V238-F293 HydrophobicContact CG2-CZ 4.15Å
239	D	92.9	Very high	93.6	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.091	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-67.1	172.4	172	-78.2	-6.8	0	0	0	110.1	K67 I241 F292 N331	K67-D239 WeakPolarHBondContact CD-OD1 3.29Å; D239-I241 WeakPolarHBondContact O-CG1 3.43Å; D239-I241 PolarHBondContact O-N 3.02Å; D239-F292 HydrophobicContact CB-CB 4.15Å; D239-F292 PolarHBondContact N-O 2.88Å; D239-N331 PolarHBondContact OD1-ND2 2.69Å
240	A	90.6	Very high	93.5	Very high	32 Å²	32	38.3 Å²	38.3	26%	0.264	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-59.5	129.5	-174.5	0	0	0	0	0	112.1	R64 V65	R64-A240 VanDerWaalsContact NH2-CB 3.25Å; V65-A240 CarbonylContact O-C 3.56Å; V65-A240 VanDerWaalsContact O-CA 3.24Å; V65-A240 WeakPolarHBondContact O-CA 3.44Å
241	I	93.8	Very high	93.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	-179.1	-46.5	-177.7	0	0	0	108.5	R64 V65 M214 V238 D239 F243 V289 A291	R64-I241 VanDerWaalsContact CA-O 3.26Å; R64-I241 WeakPolarHBondContact CA-O 3.36Å; V65-I241 HydrophobicContact CB-CB 4.14Å; V65-I241 HydrophobicContact CB-CD1 4.43Å; V65-I241 HydrophobicContact CB-CG1 4.29Å; V65-I241 PolarHBondContact N-O 2.87Å; V65-I241 PolarHBondContact O-N 3.22Å; M214-I241 HydrophobicContact CG-CD1 3.85Å; M214-I241 HydrophobicContact SD-CD1 3.67Å; V238-I241 HydrophobicContact CG1-CD1 3.73Å; V238-I241 HydrophobicContact CG1-CG1 3.89Å; D239-I241 WeakPolarHBondContact O-CG1 3.43Å; D239-I241 PolarHBondContact O-N 3.02Å; I241-F243 HydrophobicContact CB-CE2 4.49Å; I241-F243 HydrophobicContact CG2-CD2 4.4Å; I241-F243 HydrophobicContact CG2-CE2 3.9Å; I241-F243 HydrophobicContact CG2-CZ 4.29Å; I241-V289 HydrophobicContact CG2-CG1 3.48Å; I241-V289 VanDerWaalsContact CG2-CG1 3.48Å; I241-A291 HydrophobicContact CB-CB 4.45Å; I241-A291 HydrophobicContact CD1-CB 4.34Å; I241-A291 HydrophobicContact CG1-CB 3.85Å; I241-A291 HydrophobicContact CG2-CB 4.28Å
242	N	88.9	Confident	93.6	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130	172.3	-64.4	-66.1	0	0	0	109.9	R64	R64-N242 PolarHBondContact NH1-ND2 3.08Å; R64-N242 PolarHBondContact NH1-OD1 3.35Å
243	F	92.3	Very high	93.7	Very high	39 Å²	39	34.7 Å²	34.7	17%	0.171	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	98.5	173.9	-68.2	-98.1	0	0	0	108.2	L62 V63 V65 A213 M214 I241 V289	L62-F243 HydrophobicContact CD2-CD2 4.13Å; L62-F243 HydrophobicContact CD2-CE2 3.37Å; L62-F243 HydrophobicContact CD2-CZ 3.61Å; L62-F243 HydrophobicContact CG-CD2 3.96Å; L62-F243 HydrophobicContact CG-CE2 3.71Å; L62-F243 HydrophobicContact CG-CZ 4.3Å; V63-F243 PolarHBondContact O-N 3.32Å; V65-F243 HydrophobicContact CG2-CE2 4.2Å; A213-F243 HydrophobicContact CB-CE1 4.14Å; M214-F243 HydrophobicContact CG-CZ 4.02Å; M214-F243 HydrophobicContact SD-CZ 4.37Å; I241-F243 HydrophobicContact CB-CE2 4.49Å; I241-F243 HydrophobicContact CG2-CD2 4.4Å; I241-F243 HydrophobicContact CG2-CE2 3.9Å; I241-F243 HydrophobicContact CG2-CZ 4.29Å; F243-V289 HydrophobicContact CD1-CG1 4.36Å; F243-V289 HydrophobicContact CD1-CG2 3.63Å; F243-V289 HydrophobicContact CE1-CG1 4.31Å; F243-V289 HydrophobicContact CE1-CG2 3.93Å; F243-V289 HydrophobicContact CG-CG2 4.41Å
244	H	90.5	Very high	93.8	Very high	58 Å²	58	35 Å²	35	27%	0.269	18%	0.178	S	C	.	.			trans	-77.3	-40.3	-170.3	-54.4	-64.7	0	0	0	112.1	A288 S290	H244-A288 PolarHBondContact N-O 2.9Å; H244-S290 PolarHBondContact NE2-OG 2.77Å; H244-S290 VanDerWaalsContact NE2-OG 3.09Å
245	R	90.8	Very high	93.9	Very high	124 Å²	124	33.9 Å²	33.9	47%	0.468	17%	0.171	S	C	.	.	S	Bend	trans	-142.1	143.1	-176.8	-67	179.6	60.8	173.7	-5.6	109.9	Y286 A288	R245-Y286 HydrophobicContact CB-CD2 3.89Å; R245-Y286 HydrophobicContact CB-CE2 3.83Å; R245-Y286 HydrophobicContact CG-CD2 4.37Å; R245-Y286 VanDerWaalsContact NE-CD2 3.33Å; R245-A288 PolarHBondContact N-O 2.97Å
246	K	92.3	Very high	93.8	Very high	79 Å²	79	34 Å²	34	34%	0.343	17%	0.172	S	C	.	.			trans	-67.1	144.5	175.4	-56.3	173.6	-173.6	166.6	0	109.7	V128 D129 F207 Y286	V128-K246 PolarHBondContact O-NZ 3.4Å; D129-K246 IonicContact OD1-NZ 2.84Å; D129-K246 PolarHBondContact OD1-NZ 3Å; F207-K246 HydrophobicContact CD1-CB 3.56Å; F207-K246 HydrophobicContact CD1-CD 4.01Å; F207-K246 HydrophobicContact CD1-CG 4.33Å; F207-K246 HydrophobicContact CD2-CD 4.18Å; F207-K246 HydrophobicContact CE1-CB 3.74Å; F207-K246 HydrophobicContact CE1-CD 3.76Å; F207-K246 HydrophobicContact CE1-CG 4.4Å; F207-K246 HydrophobicContact CE2-CD 3.97Å; F207-K246 HydrophobicContact CG-CB 4.23Å; F207-K246 HydrophobicContact CG-CD 4.2Å; F207-K246 HydrophobicContact CZ-CD 3.73Å; K246-Y286 PolarHBondContact O-OH 3.45Å
247	I	94.4	Very high	93.9	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.062	16%	0.162	C	C	.	.			trans	-107.5	126.1	173.6	-53.4	174.3	0	0	0	107.5	V197 F207 V208 C251 V253 V273 A275 A288	V197-I247 HydrophobicContact CG2-CG2 3.99Å; F207-I247 CarbonylContact C-O 3.58Å; F207-I247 VanDerWaalsContact CA-O 3.31Å; F207-I247 WeakPolarHBondContact CA-O 3.44Å; V208-I247 HydrophobicContact CB-CB 4.08Å; V208-I247 HydrophobicContact CG2-CB 3.8Å; V208-I247 HydrophobicContact CG2-CG2 3.74Å; V208-I247 PolarHBondContact N-O 3.36Å; I247-C251 HydrophobicContact CG2-CB 3.97Å; I247-V253 HydrophobicContact CD1-CG1 3.96Å; I247-V253 HydrophobicContact CG2-CG1 3.63Å; I247-V273 HydrophobicContact CD1-CG1 4.07Å; I247-A275 HydrophobicContact CG1-CB 4.22Å; I247-A275 HydrophobicContact CG2-CB 4.14Å; I247-A288 HydrophobicContact CD1-CB 3.58Å; I247-A288 HydrophobicContact CG1-CB 3.51Å
248	R	93.1	Very high	93.9	Very high	110 Å²	110	32.8 Å²	32.8	42%	0.415	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-92.5	151.4	-177.4	-167.1	179.4	-66.7	-77	5.1	111	D206 F207 G250 C251	D206-R248 CarbonylContact O-C 3.58Å; D206-R248 WeakPolarHBondContact O-CA 3.44Å; F207-R248 HydrophobicContact CD1-CB 4.44Å; F207-R248 HydrophobicContact CE1-CB 4.44Å; R248-G250 PolarHBondContact O-N 3.13Å; R248-C251 VanDerWaalsContact O-CB 3.25Å; R248-C251 WeakPolarHBondContact O-CB 3.3Å; R248-C251 PolarHBondContact O-N 2.78Å; R248-C251 VanDerWaalsContact O-N 3.1Å; R248-C251 PolarHBondContact O-SG 2.91Å; R248-C251 VanDerWaalsContact O-SG 3.39Å
249	K	94.2	Very high	94	Very high	83 Å²	83	32.9 Å²	32.9	36%	0.361	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	135.4	166.8	-171.2	175.5	65.9	-165.1	0	111	P199 D206 C251	P199-K249 HydrophobicContact CB-CD 4.41Å; P199-K249 HydrophobicContact CG-CD 4.3Å; D206-K249 HydrophobicContact CB-CB 4.05Å; D206-K249 PolarHBondContact O-N 2.98Å; D206-K249 WeakPolarHBondContact OD1-CE 3.31Å; D206-K249 IonicContact OD1-NZ 3.6Å; D206-K249 PolarHBondContact OD1-NZ 3.43Å; D206-K249 WeakPolarHBondContact OD2-CE 3.11Å; D206-K249 IonicContact OD2-NZ 3.59Å; D206-K249 PolarHBondContact OD2-NZ 2.97Å; K249-C251 VanDerWaalsContact C-N 3.3Å
250	G	92.7	Very high	94.2	Very high	31 Å²	31	32.2 Å²	32.2	32%	0.32	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-6.5	-177.7	0	0	0	0	0	115.2	V197 R248	V197-G250 PolarHBondContact O-N 3Å; R248-G250 PolarHBondContact O-N 3.13Å
251	C	94.4	Very high	94.5	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	149.7	166.7	-72.4	0	0	0	0	110.9	V197 I247 R248 K249 D276	V197-C251 WeakPolarHBondContact CB-O 3.38Å; V197-C251 HydrophobicContact CG2-CB 4.49Å; V197-C251 WeakPolarHBondContact CG2-O 3.37Å; V197-C251 PolarHBondContact N-O 3.46Å; I247-C251 HydrophobicContact CG2-CB 3.97Å; R248-C251 VanDerWaalsContact O-CB 3.25Å; R248-C251 WeakPolarHBondContact O-CB 3.3Å; R248-C251 PolarHBondContact O-N 2.78Å; R248-C251 VanDerWaalsContact O-N 3.1Å; R248-C251 PolarHBondContact O-SG 2.91Å; R248-C251 VanDerWaalsContact O-SG 3.39Å; K249-C251 VanDerWaalsContact C-N 3.3Å; C251-D276 CarbonylContact C-O 3.58Å; C251-D276 VanDerWaalsContact CA-O 3.24Å; C251-D276 WeakPolarHBondContact CA-O 3.46Å; C251-D276 WeakPolarHBondContact CB-O 3.47Å
252	V	95.6	Very high	94.7	Very high	27 Å²	27	32 Å²	32	16%	0.164	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.2	163.6	174.2	0	0	0	0	107.7	I194 L196 A275 D276 L278	I194-V252 HydrophobicContact CG2-CG1 3.42Å; I194-V252 VanDerWaalsContact CG2-CG1 3.42Å; L196-V252 HydrophobicContact CD1-CG2 3.84Å; V252-A275 WeakPolarHBondContact O-CA 3.5Å; V252-D276 PolarHBondContact N-O 2.85Å; V252-D276 PolarHBondContact O-N 2.88Å; V252-L278 HydrophobicContact CG2-CD1 3.54Å; V252-L278 HydrophobicContact CG2-CD2 3.85Å; V252-L278 HydrophobicContact CG2-CG 3.66Å
253	V	96	Very high	95.1	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.9	174.5	-58.2	0	0	0	0	110	I194 H195 V197 L216 I247 V273 D274 A275	I194-V253 CarbonylContact C-O 3.55Å; I194-V253 WeakPolarHBondContact CA-O 3.42Å; H195-V253 HydrophobicContact CB-CG2 3.7Å; H195-V253 PolarHBondContact N-O 3.46Å; H195-V253 WeakPolarHBondContact O-CG2 3.22Å; H195-V253 PolarHBondContact O-N 3.4Å; V197-V253 HydrophobicContact CG2-CG1 3.77Å; V197-V253 HydrophobicContact CG2-CG2 4.44Å; L216-V253 HydrophobicContact CD1-CG2 4.21Å; I247-V253 HydrophobicContact CD1-CG1 3.96Å; I247-V253 HydrophobicContact CG2-CG1 3.63Å; V253-V273 HydrophobicContact CB-CG1 4.32Å; V253-D274 CarbonylContact C-O 3.59Å; V253-D274 VanDerWaalsContact CA-O 3.29Å; V253-D274 WeakPolarHBondContact CA-O 3.44Å; V253-A275 HydrophobicContact CG1-CB 4.14Å
254	T	96.4	Very high	95.3	Very high	28 Å²	28	36.8 Å²	36.8	17%	0.172	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.1	173	-58.4	0	0	0	0	107.9	L193 I194 D274	L193-T254 WeakPolarHBondContact O-CA 3.3Å; I194-T254 HydrophobicContact CG1-CG2 4.29Å; T254-D274 PolarHBondContact N-O 3.34Å; T254-D274 PolarHBondContact O-N 2.81Å
255	V	97.6	Very high	95.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118	176.3	-173.6	0	0	0	0	107.7	S192 L193 L216 M217 V220 V271 L272 V273	S192-V255 CarbonylContact C-O 3.6Å; S192-V255 WeakPolarHBondContact CA-O 3.37Å; L193-V255 PolarHBondContact N-O 3.06Å; L193-V255 PolarHBondContact O-N 3.49Å; L216-V255 HydrophobicContact CB-CG2 4.05Å; M217-V255 HydrophobicContact CG-CG1 4.27Å; V220-V255 HydrophobicContact CB-CG1 3.93Å; V220-V255 HydrophobicContact CG1-CG1 4.4Å; V220-V255 HydrophobicContact CG2-CB 3.9Å; V220-V255 HydrophobicContact CG2-CG1 3.65Å; V255-V271 HydrophobicContact CG1-CG1 3.56Å; V255-L272 CarbonylContact C-O 3.53Å; V255-L272 WeakPolarHBondContact CA-O 3.44Å; V255-V273 HydrophobicContact CG1-CG2 4.29Å; V255-V273 HydrophobicContact CG2-CG1 4.3Å; V255-V273 HydrophobicContact CG2-CG2 4.15Å
256	T	96.8	Very high	95.8	Very high	15 Å²	15	34.3 Å²	34.3	9%	0.092	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.8	-178.8	-46	0	0	0	0	109.7	M170 V271 L272	M170-T256 HydrophobicContact SD-CG2 3.25Å; M170-T256 WeakPolarHBondContact SD-CG2 3.32Å; T256-V271 WeakPolarHBondContact O-CA 3.26Å; T256-L272 PolarHBondContact N-O 2.95Å; T256-L272 PolarHBondContact O-N 3.28Å
257	G	96.8	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.4	179.6	0	0	0	0	0	111.9	Q190 S191 V224 E270	Q190-G257 WeakPolarHBondContact CA-O 3.38Å; S191-G257 PolarHBondContact N-O 3.46Å; S191-G257 VanDerWaalsContact N-O 3.11Å; S191-G257 PolarHBondContact O-N 2.75Å; V224-G257 WeakPolarHBondContact CG2-O 3.39Å; G257-E270 VanDerWaalsContact CA-O 3.27Å; G257-E270 WeakPolarHBondContact CA-O 3.48Å
258	R	96.1	Very high	96.3	Very high	10 Å²	10	30.3 Å²	30.3	4%	0.038	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.7	174.4	67.9	-175.1	172.8	-177.3	-5.7	111.1	M170 V186 Q190 I269 E270 R320	M170-R258 HydrophobicContact CE-CG 3.98Å; M170-R258 HydrophobicContact SD-CG 4.39Å; V186-R258 HydrophobicContact CG1-CB 3.94Å; Q190-R258 HydrophobicContact CB-CB 4.46Å; Q190-R258 HydrophobicContact CG-CB 4.23Å; R258-I269 CarbonylContact O-C 3.5Å; R258-I269 WeakPolarHBondContact O-CA 3.45Å; R258-I269 WeakPolarHBondContact O-CG2 3.37Å; R258-E270 HydrophobicContact CG-CB 4.4Å; R258-E270 IonicContact CZ-OE2 3.72Å; R258-E270 PolarHBondContact N-O 2.86Å; R258-E270 IonicContact NE-OE2 3.48Å; R258-E270 PolarHBondContact NE-OE2 3.27Å; R258-E270 IonicContact NH2-OE2 3.55Å; R258-E270 PolarHBondContact NH2-OE2 3.48Å; R258-E270 PolarHBondContact O-N 3.4Å; R258-R320 VanDerWaalsContact NH2-NE 3.11Å
259	L	97.5	Very high	96.6	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138	170.6	-77.3	168.5	0	0	0	110.3	S189 V224 H228 V262 M267 I269 L310	S189-L259 WeakPolarHBondContact OG-CD1 3.3Å; V224-L259 HydrophobicContact CG1-CG 4Å; H228-L259 HydrophobicContact CB-CD1 3.78Å; H228-L259 VanDerWaalsContact CG-CD1 3.42Å; H228-L259 WeakPolarHBondContact ND1-CD1 3.44Å; L259-V262 HydrophobicContact CD2-CG2 4.19Å; L259-M267 HydrophobicContact CD2-CB 3.74Å; L259-M267 HydrophobicContact CD2-CG 4.1Å; L259-M267 HydrophobicContact CD2-SD 4.5Å; L259-I269 HydrophobicContact CD2-CD1 4.35Å; L259-I269 HydrophobicContact CD2-CG1 3.67Å; L259-I269 HydrophobicContact CG-CG1 4.43Å; L259-L310 HydrophobicContact CB-CD1 4.17Å; L259-L310 HydrophobicContact CB-CD2 3.85Å; L259-L310 HydrophobicContact CD1-CD1 3.85Å
260	T	97	Very high	96.7	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-35.4	171.9	45.9	0	0	0	0	111.6	E268 E270 F292 R320 F321	T260-E268 WeakPolarHBondContact CB-OE1 3.29Å; T260-E268 PolarHBondContact N-O 3.02Å; T260-E268 WeakPolarHBondContact OG1-CG 3.26Å; T260-E268 PolarHBondContact OG1-O 3.4Å; T260-E268 PolarHBondContact OG1-OE1 3.36Å; T260-E270 HydrophobicContact CG2-CB 3.57Å; T260-F292 HydrophobicContact CG2-CE1 4.29Å; T260-R320 HydrophobicContact CG2-CB 4.34Å; T260-F321 WeakPolarHBondContact O-CA 3.34Å; T260-F321 PolarHBondContact O-N 2.88Å
261	F	98.1	Very high	96.9	Very high	14 Å²	14	21.1 Å²	21.1	6%	0.061	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.8	-179.1	169.2	-102.3	0	0	0	111.4	E268 F321 K325 Y328	F261-E268 HydrophobicContact CB-CB 4.04Å; F261-E268 HydrophobicContact CD1-CB 4.45Å; F261-E268 PolarHBondContact N-O 2.96Å; F261-E268 PolarHBondContact O-N 3.21Å; F261-F321 HydrophobicContact CB-CD2 4.42Å; F261-F321 HydrophobicContact CD2-CD1 4.25Å; F261-F321 AromaticContact CD2-CD2 3.98Å; F261-F321 HydrophobicContact CD2-CD2 3.98Å; F261-F321 AromaticContact CD2-CE1 3.93Å; F261-F321 HydrophobicContact CD2-CE1 3.93Å; F261-F321 AromaticContact CD2-CE2 3.67Å; F261-F321 HydrophobicContact CD2-CE2 3.67Å; F261-F321 HydrophobicContact CD2-CG 4.28Å; F261-F321 AromaticContact CD2-CZ 3.63Å; F261-F321 HydrophobicContact CD2-CZ 3.63Å; F261-F321 HydrophobicContact CE2-CE1 4.05Å; F261-F321 HydrophobicContact CE2-CE2 4.27Å; F261-F321 AromaticContact CE2-CZ 3.8Å; F261-F321 HydrophobicContact CE2-CZ 3.8Å; F261-K325 HydrophobicContact CD2-CB 3.85Å; F261-K325 HydrophobicContact CE2-CB 3.63Å; F261-K325 HydrophobicContact CE2-CG 3.92Å; F261-K325 HydrophobicContact CZ-CB 4.25Å; F261-K325 HydrophobicContact CZ-CG 4.28Å; F261-Y328 HydrophobicContact CE1-CD1 4.03Å; F261-Y328 HydrophobicContact CE1-CD2 4.14Å; F261-Y328 AromaticContact CE1-CG 3.66Å; F261-Y328 HydrophobicContact CE1-CG 3.66Å; F261-Y328 HydrophobicContact CZ-CD1 4.2Å; F261-Y328 HydrophobicContact CZ-CG 4.28Å
262	V	98.2	Very high	96.9	Very high	15 Å²	15	21 Å²	21	9%	0.091	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.7	173.5	171.1	0	0	0	0	109.6	L259 M267 V307 L310	L259-V262 HydrophobicContact CD2-CG2 4.19Å; V262-M267 HydrophobicContact CG2-CG 4.13Å; V262-V307 HydrophobicContact CG1-CB 4.09Å; V262-V307 HydrophobicContact CG1-CG1 3.47Å; V262-V307 VanDerWaalsContact CG1-CG1 3.47Å; V262-V307 HydrophobicContact CG2-CG1 4.48Å; V262-L310 HydrophobicContact CB-CB 3.99Å; V262-L310 HydrophobicContact CG2-CB 3.71Å; V262-L310 HydrophobicContact CG2-CD2 4.3Å
263	S	96.9	Very high	96.9	Very high	14 Å²	14	19.9 Å²	19.9	10%	0.098	10%	0.1	C	C	.	.			trans	-95.8	176.6	166.2	87.8	0	0	0	0	110.2	R265 S266	S263-R265 PolarHBondContact O-N 3.5Å; S263-R265 PolarHBondContact OG-N 2.91Å; S263-S266 PolarHBondContact N-O 3.29Å; S263-S266 PolarHBondContact OG-N 2.83Å; S263-S266 PolarHBondContact OG-OG 2.95Å
264	N	95.6	Very high	96.9	Very high	134 Å²	134	20.3 Å²	20.3	72%	0.717	10%	0.102	S	C	*	.	S	Bend	trans	-56.2	-24.8	174.8	-66.4	-7.8	0	0	0	113.7	N306 V307	N264-N306 VanDerWaalsContact O-CA 3.3Å; N264-N306 WeakPolarHBondContact O-CA 3.21Å; N264-V307 PolarHBondContact O-N 3.01Å
265	R	95.6	Very high	96.7	Very high	118 Å²	118	19 Å²	19	45%	0.445	9%	0.094	S	C	.	.	S	Bend	trans	-131.5	-2	-170.5	-63.5	-64	-169.9	162.1	-0	114.4	S263 I296 P304 L305 N306	S263-R265 PolarHBondContact O-N 3.5Å; S263-R265 PolarHBondContact OG-N 2.91Å; R265-I296 WeakPolarHBondContact O-CG2 3.28Å; R265-P304 PolarHBondContact NH1-O 2.9Å; R265-L305 WeakPolarHBondContact CD-O 3.19Å; R265-L305 PolarHBondContact NH1-O 3.41Å; R265-N306 WeakPolarHBondContact CD-OD1 3.18Å; R265-N306 PolarHBondContact NE-OD1 3.2Å; R265-N306 PolarHBondContact NH1-OD1 3.33Å; R265-N306 PolarHBondContact NH2-OD1 2.81Å
266	S	97.5	Very high	96.5	Very high	12 Å²	12	21.9 Å²	21.9	8%	0.084	11%	0.109	C	C	.	.			trans	-148.6	156.4	-173.6	70.3	0	0	0	0	112.5	S263 F295	S263-S266 PolarHBondContact N-O 3.29Å; S263-S266 PolarHBondContact OG-N 2.83Å; S263-S266 PolarHBondContact OG-OG 2.95Å; S266-F295 CarbonylContact C-O 3.53Å; S266-F295 VanDerWaalsContact CA-O 3.29Å; S266-F295 WeakPolarHBondContact CA-O 3.37Å
267	M	98.4	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.9	175.6	-65	167.1	-78.6	0	0	109	A225 H228 C229 I233 L259 V262 T294 F295 V307	A225-M267 HydrophobicContact CB-CE 3.81Å; A225-M267 HydrophobicContact CB-SD 4.1Å; H228-M267 HydrophobicContact CB-SD 4.27Å; C229-M267 WeakPolarHBondContact SG-CE 3.38Å; C229-M267 PolarHBondContact SG-SD 2.95Å; I233-M267 HydrophobicContact CG2-CE 4.2Å; L259-M267 HydrophobicContact CD2-CB 3.74Å; L259-M267 HydrophobicContact CD2-CG 4.1Å; L259-M267 HydrophobicContact CD2-SD 4.5Å; V262-M267 HydrophobicContact CG2-CG 4.13Å; M267-T294 CarbonylContact O-C 3.57Å; M267-T294 VanDerWaalsContact O-CA 3.23Å; M267-T294 WeakPolarHBondContact O-CA 3.45Å; M267-F295 HydrophobicContact CE-CB 3.98Å; M267-F295 PolarHBondContact N-O 3.34Å; M267-F295 PolarHBondContact O-N 3.17Å; M267-V307 HydrophobicContact CG-CG1 3.51Å; M267-V307 HydrophobicContact CG-CG2 4.38Å; M267-V307 HydrophobicContact SD-CG1 4.04Å
268	E	98.6	Very high	95	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.9	166	-168.7	-168.5	70.6	0	0	109	T260 F261 F292 F293 G324 R327	T260-E268 WeakPolarHBondContact CB-OE1 3.29Å; T260-E268 PolarHBondContact N-O 3.02Å; T260-E268 WeakPolarHBondContact OG1-CG 3.26Å; T260-E268 PolarHBondContact OG1-O 3.4Å; T260-E268 PolarHBondContact OG1-OE1 3.36Å; F261-E268 HydrophobicContact CB-CB 4.04Å; F261-E268 HydrophobicContact CD1-CB 4.45Å; F261-E268 PolarHBondContact N-O 2.96Å; F261-E268 PolarHBondContact O-N 3.21Å; E268-F292 HydrophobicContact CG-CB 4.27Å; E268-F292 HydrophobicContact CG-CD1 4.25Å; E268-F293 CarbonylContact C-O 3.59Å; E268-F293 WeakPolarHBondContact CA-O 3.35Å; E268-G324 WeakPolarHBondContact OE1-CA 3.29Å; E268-R327 IonicContact OE1-CZ 3.6Å; E268-R327 IonicContact OE1-NE 3.58Å; E268-R327 PolarHBondContact OE1-NE 2.95Å; E268-R327 IonicContact OE1-NH2 2.74Å; E268-R327 PolarHBondContact OE1-NH2 2.83Å; E268-R327 IonicContact OE2-CZ 3.51Å; E268-R327 IonicContact OE2-NE 2.81Å; E268-R327 PolarHBondContact OE2-NE 3.07Å; E268-R327 IonicContact OE2-NH2 3.43Å
269	I	98.4	Very high	94	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	-177.2	-61.6	168.5	0	0	0	108.1	A221 V224 A225 R258 L259 V271 F292 F293 F295	A221-I269 HydrophobicContact CB-CB 4.44Å; A221-I269 HydrophobicContact CB-CD1 4.38Å; A221-I269 HydrophobicContact CB-CG2 4.04Å; A221-I269 WeakPolarHBondContact O-CD1 3.41Å; V224-I269 HydrophobicContact CB-CD1 4.1Å; V224-I269 HydrophobicContact CB-CG2 4.26Å; V224-I269 HydrophobicContact CG1-CD1 3.94Å; V224-I269 HydrophobicContact CG1-CG1 4.08Å; V224-I269 HydrophobicContact CG1-CG2 4.08Å; A225-I269 HydrophobicContact CB-CD1 3.72Å; R258-I269 CarbonylContact O-C 3.5Å; R258-I269 WeakPolarHBondContact O-CA 3.45Å; R258-I269 WeakPolarHBondContact O-CG2 3.37Å; L259-I269 HydrophobicContact CD2-CD1 4.35Å; L259-I269 HydrophobicContact CD2-CG1 3.67Å; L259-I269 HydrophobicContact CG-CG1 4.43Å; I269-V271 HydrophobicContact CG2-CG2 4.02Å; I269-F292 CarbonylContact O-C 3.54Å; I269-F292 WeakPolarHBondContact O-CA 3.37Å; I269-F293 PolarHBondContact N-O 3.09Å; I269-F293 PolarHBondContact O-N 3.04Å; I269-F295 HydrophobicContact CD1-CD2 4.03Å; I269-F295 HydrophobicContact CD1-CG 4.49Å
270	E	97.1	Very high	92.8	Very high	31 Å²	31	37.9 Å²	37.9	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.5	169.3	-178.4	179.1	-134.7	0	0	109.2	G257 R258 T260 L272 F292	G257-E270 VanDerWaalsContact CA-O 3.27Å; G257-E270 WeakPolarHBondContact CA-O 3.48Å; R258-E270 HydrophobicContact CG-CB 4.4Å; R258-E270 IonicContact CZ-OE2 3.72Å; R258-E270 PolarHBondContact N-O 2.86Å; R258-E270 IonicContact NE-OE2 3.48Å; R258-E270 PolarHBondContact NE-OE2 3.27Å; R258-E270 IonicContact NH2-OE2 3.55Å; R258-E270 PolarHBondContact NH2-OE2 3.48Å; R258-E270 PolarHBondContact O-N 3.4Å; T260-E270 HydrophobicContact CG2-CB 3.57Å; E270-L272 HydrophobicContact CG-CD2 4.06Å; E270-L272 HydrophobicContact CG-CG 4.2Å; E270-F292 HydrophobicContact CB-CD1 3.88Å; E270-F292 HydrophobicContact CB-CE1 3.65Å; E270-F292 HydrophobicContact CG-CD1 4.29Å; E270-F292 HydrophobicContact CG-CE1 3.77Å; E270-F292 HydrophobicContact CG-CZ 4.24Å
271	V	96.5	Very high	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.5	175.8	-170.2	0	0	0	0	110	M217 A221 V255 T256 I269 S290 A291 F293	M217-V271 HydrophobicContact CB-CB 4.45Å; M217-V271 HydrophobicContact CB-CG1 3.83Å; M217-V271 HydrophobicContact CE-CB 4.09Å; M217-V271 HydrophobicContact CE-CG1 4.18Å; M217-V271 HydrophobicContact CG-CG1 3.84Å; A221-V271 HydrophobicContact CB-CG2 3.81Å; V255-V271 HydrophobicContact CG1-CG1 3.56Å; T256-V271 WeakPolarHBondContact O-CA 3.26Å; I269-V271 HydrophobicContact CG2-CG2 4.02Å; V271-S290 WeakPolarHBondContact O-CA 3.43Å; V271-A291 PolarHBondContact N-O 3.16Å; V271-A291 PolarHBondContact O-N 3.34Å; V271-F293 HydrophobicContact CB-CD2 4.32Å; V271-F293 HydrophobicContact CB-CE2 4.36Å; V271-F293 HydrophobicContact CG2-CD2 3.72Å; V271-F293 HydrophobicContact CG2-CE2 4.13Å
272	L	94.7	Very high	89.8	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.8	-179.4	-55.9	179.5	0	0	0	109.5	M170 V255 T256 E270 S290	M170-L272 HydrophobicContact CB-CD1 3.9Å; M170-L272 HydrophobicContact CE-CB 4.14Å; M170-L272 HydrophobicContact CE-CD1 3.2Å; M170-L272 HydrophobicContact CE-CG 3.51Å; M170-L272 HydrophobicContact SD-CD1 4.42Å; V255-L272 CarbonylContact C-O 3.53Å; V255-L272 WeakPolarHBondContact CA-O 3.44Å; T256-L272 PolarHBondContact N-O 2.95Å; T256-L272 PolarHBondContact O-N 3.28Å; E270-L272 HydrophobicContact CG-CD2 4.06Å; E270-L272 HydrophobicContact CG-CG 4.2Å; L272-S290 VanDerWaalsContact CD2-CB 3.48Å
273	V	95.9	Very high	88.2	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.3	175.4	-175.6	0	0	0	0	107.9	M217 I247 V253 V255 A288 V289	M217-V273 HydrophobicContact CE-CG2 4.18Å; M217-V273 HydrophobicContact CG-CG2 3.43Å; M217-V273 VanDerWaalsContact CG-CG2 3.43Å; M217-V273 HydrophobicContact SD-CG2 3.7Å; I247-V273 HydrophobicContact CD1-CG1 4.07Å; V253-V273 HydrophobicContact CB-CG1 4.32Å; V255-V273 HydrophobicContact CG1-CG2 4.29Å; V255-V273 HydrophobicContact CG2-CG1 4.3Å; V255-V273 HydrophobicContact CG2-CG2 4.15Å; V273-A288 PolarHBondContact O-N 2.75Å; V273-V289 HydrophobicContact CB-CB 3.95Å; V273-V289 HydrophobicContact CB-CG2 4.38Å; V273-V289 HydrophobicContact CG2-CB 4Å; V273-V289 PolarHBondContact N-O 3.39Å; V273-V289 PolarHBondContact O-N 3.15Å
274	D	94.5	Very high	87.3	Confident	14 Å²	14	55.2 Å²	55.2	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.7	169.9	-57.5	-45.5	0	0	0	109.9	V253 T254 K285 Y286 R287	V253-D274 CarbonylContact C-O 3.59Å; V253-D274 VanDerWaalsContact CA-O 3.29Å; V253-D274 WeakPolarHBondContact CA-O 3.44Å; T254-D274 PolarHBondContact N-O 3.34Å; T254-D274 PolarHBondContact O-N 2.81Å; D274-K285 HydrophobicContact CB-CD 4.18Å; D274-K285 HydrophobicContact CB-CG 4.02Å; D274-K285 WeakPolarHBondContact OD2-CE 3.34Å; D274-K285 IonicContact OD2-NZ 3.9Å; D274-K285 PolarHBondContact OD2-NZ 2.94Å; D274-Y286 CarbonylContact C-O 3.52Å; D274-Y286 VanDerWaalsContact CA-O 3.28Å; D274-Y286 WeakPolarHBondContact CA-O 3.47Å; D274-R287 IonicContact OD1-CZ 3.44Å; D274-R287 IonicContact OD1-NE 3.78Å; D274-R287 PolarHBondContact OD1-NE 3.21Å; D274-R287 IonicContact OD1-NH2 2.62Å; D274-R287 PolarHBondContact OD1-NH2 3.2Å
275	A	93.6	Very high	86.9	Confident	1 Å²	1	54 Å²	54	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.4	176.9	0	0	0	0	0	110.5	I247 V252 V253 K285 Y286 A288	I247-A275 HydrophobicContact CG1-CB 4.22Å; I247-A275 HydrophobicContact CG2-CB 4.14Å; V252-A275 WeakPolarHBondContact O-CA 3.5Å; V253-A275 HydrophobicContact CG1-CB 4.14Å; A275-K285 WeakPolarHBondContact O-CA 3.47Å; A275-Y286 HydrophobicContact CB-CD2 4.43Å; A275-Y286 HydrophobicContact CB-CE1 4.07Å; A275-Y286 HydrophobicContact CB-CE2 3.82Å; A275-Y286 PolarHBondContact N-O 3.24Å; A275-Y286 WeakPolarHBondContact O-CD1 3.33Å; A275-Y286 PolarHBondContact O-N 3.23Å; A275-A288 HydrophobicContact CB-CB 4.46Å
276	D	92.3	Very high	86.7	Confident	61 Å²	61	49.7 Å²	49.7	33%	0.326	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.9	175.8	-166.5	4.7	0	0	0	109.9	C251 V252 K285	C251-D276 CarbonylContact C-O 3.58Å; C251-D276 VanDerWaalsContact CA-O 3.24Å; C251-D276 WeakPolarHBondContact CA-O 3.46Å; C251-D276 WeakPolarHBondContact CB-O 3.47Å; V252-D276 PolarHBondContact N-O 2.85Å; V252-D276 PolarHBondContact O-N 2.88Å; D276-K285 HydrophobicContact CB-CB 4.49Å
277	S	86.6	Confident	86.4	Confident	17 Å²	17	50.5 Å²	50.5	12%	0.119	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.4	178.9	-173.6	0	0	0	0	109.7	V279 E280	S277-V279 PolarHBondContact O-N 2.81Å; S277-E280 WeakPolarHBondContact OG-CB 3.3Å; S277-E280 PolarHBondContact OG-N 3.42Å
278	L	76.9	Confident	86.1	Confident	109 Å²	109	50.5 Å²	50.5	57%	0.571	27%	0.269	S	S	*	.	S	Bend	trans	-68.8	-21.1	175.7	-64	-178.4	0	0	0	113	L196 V252	L196-L278 HydrophobicContact CD1-CD1 4.13Å; V252-L278 HydrophobicContact CG2-CD1 3.54Å; V252-L278 HydrophobicContact CG2-CD2 3.85Å; V252-L278 HydrophobicContact CG2-CG 3.66Å
279	V	74.6	Confident	85.9	Confident	127 Å²	127	50.2 Å²	50.2	77%	0.77	27%	0.268	S	S	*	.	S	Bend	trans	-98.3	-42.1	-177	-176.3	0	0	0	0	111	S277 T281	S277-V279 PolarHBondContact O-N 2.81Å; V279-T281 PolarHBondContact O-N 3.09Å
280	E	72.2	Confident	85.6	Confident	112 Å²	112	51.6 Å²	51.6	52%	0.523	28%	0.277	S	S	.	.			trans	-102.3	70.2	-178.7	-65.6	174.6	-159.1	0	0	110.2	S277 Q282 T283	S277-E280 WeakPolarHBondContact OG-CB 3.3Å; S277-E280 PolarHBondContact OG-N 3.42Å; E280-Q282 PolarHBondContact O-N 2.88Å; E280-T283 PolarHBondContact O-N 3.26Å; E280-T283 PolarHBondContact O-OG1 3.17Å
281	T	67.6	Low	85.4	Confident	108 Å²	108	50.3 Å²	50.3	66%	0.663	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.9	-176	55.8	0	0	0	0	114.3	V279	V279-T281 PolarHBondContact O-N 3.09Å
282	Q	63.5	Low	85.4	Confident	195 Å²	195	52 Å²	52	91%	0.911	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.2	179.6	-62.7	-175.9	14.9	0	0	113.9	E280 G284	E280-Q282 PolarHBondContact O-N 2.88Å; Q282-G284 VanDerWaalsContact C-N 3.3Å
283	T	66.2	Low	85.6	Confident	77 Å²	77	51.9 Å²	51.9	47%	0.472	28%	0.278	S	S	.	.	S	Bend	trans	-76.6	-19.8	-179.5	18.6	0	0	0	0	113	E280	E280-T283 PolarHBondContact O-N 3.26Å; E280-T283 PolarHBondContact O-OG1 3.17Å
284	G	77.4	Confident	85.7	Confident	29 Å²	29	52.8 Å²	52.8	30%	0.299	28%	0.284	S	S	.	.			trans	62.9	173.7	-176	0	0	0	0	0	113.7	Q282	Q282-G284 VanDerWaalsContact C-N 3.3Å
285	K	87.8	Confident	85.8	Confident	109 Å²	109	52.2 Å²	52.2	47%	0.474	28%	0.281	S	S	.	.			trans	-66	136.2	176.5	-174.3	178.9	173.8	-166.2	0	110.7	D274 A275 D276	D274-K285 HydrophobicContact CB-CD 4.18Å; D274-K285 HydrophobicContact CB-CG 4.02Å; D274-K285 WeakPolarHBondContact OD2-CE 3.34Å; D274-K285 IonicContact OD2-NZ 3.9Å; D274-K285 PolarHBondContact OD2-NZ 2.94Å; A275-K285 WeakPolarHBondContact O-CA 3.47Å; D276-K285 HydrophobicContact CB-CB 4.49Å
286	Y	89.6	Confident	86	Confident	28 Å²	28	54.2 Å²	54.2	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.7	178	62.3	-88.6	0	0	0	113.7	R245 K246 D274 A275 A288	R245-Y286 HydrophobicContact CB-CD2 3.89Å; R245-Y286 HydrophobicContact CB-CE2 3.83Å; R245-Y286 HydrophobicContact CG-CD2 4.37Å; R245-Y286 VanDerWaalsContact NE-CD2 3.33Å; K246-Y286 PolarHBondContact O-OH 3.45Å; D274-Y286 CarbonylContact C-O 3.52Å; D274-Y286 VanDerWaalsContact CA-O 3.28Å; D274-Y286 WeakPolarHBondContact CA-O 3.47Å; A275-Y286 HydrophobicContact CB-CD2 4.43Å; A275-Y286 HydrophobicContact CB-CE1 4.07Å; A275-Y286 HydrophobicContact CB-CE2 3.82Å; A275-Y286 PolarHBondContact N-O 3.24Å; A275-Y286 WeakPolarHBondContact O-CD1 3.33Å; A275-Y286 PolarHBondContact O-N 3.23Å; Y286-A288 HydrophobicContact CE2-CB 4.28Å; Y286-A288 PolarHBondContact O-N 3.42Å
287	R	91.4	Very high	86.2	Confident	29 Å²	29	51.4 Å²	51.4	11%	0.109	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.3	172.3	-178.3	65.1	51.8	66.2	6.3	110.3	V166 E168 D274 V289	V166-R287 HydrophobicContact CG1-CB 4.5Å; E168-R287 PolarHBondContact O-NH2 2.99Å; D274-R287 IonicContact OD1-CZ 3.44Å; D274-R287 IonicContact OD1-NE 3.78Å; D274-R287 PolarHBondContact OD1-NE 3.21Å; D274-R287 IonicContact OD1-NH2 2.62Å; D274-R287 PolarHBondContact OD1-NH2 3.2Å; R287-V289 VanDerWaalsContact CD-O 3.29Å; R287-V289 WeakPolarHBondContact CD-O 3.43Å
288	A	93.7	Very high	86.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-44.8	176.9	0	0	0	0	0	112.3	H244 R245 I247 V273 A275 Y286	H244-A288 PolarHBondContact N-O 2.9Å; R245-A288 PolarHBondContact N-O 2.97Å; I247-A288 HydrophobicContact CD1-CB 3.58Å; I247-A288 HydrophobicContact CG1-CB 3.51Å; V273-A288 PolarHBondContact O-N 2.75Å; A275-A288 HydrophobicContact CB-CB 4.46Å; Y286-A288 HydrophobicContact CE2-CB 4.28Å; Y286-A288 PolarHBondContact O-N 3.42Å
289	V	93.6	Very high	87.1	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.2	-174.8	-166.2	0	0	0	0	110.2	M217 I241 F243 V273 R287	M217-V289 HydrophobicContact CE-CG1 3.94Å; M217-V289 HydrophobicContact SD-CB 4.25Å; M217-V289 HydrophobicContact SD-CG1 3.72Å; I241-V289 HydrophobicContact CG2-CG1 3.48Å; I241-V289 VanDerWaalsContact CG2-CG1 3.48Å; F243-V289 HydrophobicContact CD1-CG1 4.36Å; F243-V289 HydrophobicContact CD1-CG2 3.63Å; F243-V289 HydrophobicContact CE1-CG1 4.31Å; F243-V289 HydrophobicContact CE1-CG2 3.93Å; F243-V289 HydrophobicContact CG-CG2 4.41Å; V273-V289 HydrophobicContact CB-CB 3.95Å; V273-V289 HydrophobicContact CB-CG2 4.38Å; V273-V289 HydrophobicContact CG2-CB 4Å; V273-V289 PolarHBondContact N-O 3.39Å; V273-V289 PolarHBondContact O-N 3.15Å; R287-V289 VanDerWaalsContact CD-O 3.29Å; R287-V289 WeakPolarHBondContact CD-O 3.43Å
290	S	91.7	Very high	87.7	Confident	29 Å²	29	51.6 Å²	51.6	20%	0.203	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.4	169.4	56.6	0	0	0	0	110.7	H244 V271 L272	H244-S290 PolarHBondContact NE2-OG 2.77Å; H244-S290 VanDerWaalsContact NE2-OG 3.09Å; V271-S290 WeakPolarHBondContact O-CA 3.43Å; L272-S290 VanDerWaalsContact CD2-CB 3.48Å
291	A	93.8	Very high	88.4	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	163.8	175.4	0	0	0	0	0	112.2	M217 V238 I241 V271 F293	M217-A291 HydrophobicContact CE-CB 3.45Å; M217-A291 VanDerWaalsContact CE-CB 3.45Å; V238-A291 HydrophobicContact CG1-CB 4.37Å; I241-A291 HydrophobicContact CB-CB 4.45Å; I241-A291 HydrophobicContact CD1-CB 4.34Å; I241-A291 HydrophobicContact CG1-CB 3.85Å; I241-A291 HydrophobicContact CG2-CB 4.28Å; V271-A291 PolarHBondContact N-O 3.16Å; V271-A291 PolarHBondContact O-N 3.34Å; A291-F293 HydrophobicContact CB-CD2 4.29Å; A291-F293 HydrophobicContact CB-CE2 3.88Å
292	F	95.9	Very high	89.2	Confident	37 Å²	37	50.5 Å²	50.5	16%	0.162	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	167.4	-61.8	-86.8	0	0	0	109.6	D239 T260 E268 I269 E270	D239-F292 HydrophobicContact CB-CB 4.15Å; D239-F292 PolarHBondContact N-O 2.88Å; T260-F292 HydrophobicContact CG2-CE1 4.29Å; E268-F292 HydrophobicContact CG-CB 4.27Å; E268-F292 HydrophobicContact CG-CD1 4.25Å; I269-F292 CarbonylContact O-C 3.54Å; I269-F292 WeakPolarHBondContact O-CA 3.37Å; E270-F292 HydrophobicContact CB-CD1 3.88Å; E270-F292 HydrophobicContact CB-CE1 3.65Å; E270-F292 HydrophobicContact CG-CD1 4.29Å; E270-F292 HydrophobicContact CG-CE1 3.77Å; E270-F292 HydrophobicContact CG-CZ 4.24Å
293	F	98.1	Very high	90.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	175.8	-75.7	-108	0	0	0	109.4	L35 M217 D218 A221 T235 V238 E268 I269 V271 A291 F295	L35-F293 HydrophobicContact CD1-CE1 4.25Å; M217-F293 HydrophobicContact CB-CE2 3.81Å; M217-F293 HydrophobicContact CB-CZ 3.78Å; M217-F293 HydrophobicContact CE-CE2 4.2Å; D218-F293 HydrophobicContact CB-CE1 3.84Å; D218-F293 HydrophobicContact CB-CZ 4.43Å; A221-F293 HydrophobicContact CB-CB 3.98Å; A221-F293 HydrophobicContact CB-CD1 4.33Å; A221-F293 HydrophobicContact CB-CD2 4.38Å; A221-F293 HydrophobicContact CB-CG 3.99Å; T235-F293 HydrophobicContact CG2-CD1 3.98Å; V238-F293 HydrophobicContact CB-CD1 4.45Å; V238-F293 HydrophobicContact CB-CE1 4.38Å; V238-F293 HydrophobicContact CG1-CD1 4.17Å; V238-F293 HydrophobicContact CG1-CD2 4.15Å; V238-F293 HydrophobicContact CG1-CE1 3.95Å; V238-F293 HydrophobicContact CG1-CE2 3.93Å; V238-F293 HydrophobicContact CG1-CG 4.25Å; V238-F293 HydrophobicContact CG1-CZ 3.82Å; V238-F293 HydrophobicContact CG2-CD1 3.54Å; V238-F293 HydrophobicContact CG2-CE1 3.45Å; V238-F293 VanDerWaalsContact CG2-CE1 3.45Å; V238-F293 HydrophobicContact CG2-CG 4.29Å; V238-F293 HydrophobicContact CG2-CZ 4.15Å; E268-F293 CarbonylContact C-O 3.59Å; E268-F293 WeakPolarHBondContact CA-O 3.35Å; I269-F293 PolarHBondContact N-O 3.09Å; I269-F293 PolarHBondContact O-N 3.04Å; V271-F293 HydrophobicContact CB-CD2 4.32Å; V271-F293 HydrophobicContact CB-CE2 4.36Å; V271-F293 HydrophobicContact CG2-CD2 3.72Å; V271-F293 HydrophobicContact CG2-CE2 4.13Å; A291-F293 HydrophobicContact CB-CD2 4.29Å; A291-F293 HydrophobicContact CB-CE2 3.88Å; F293-F295 HydrophobicContact CB-CD2 4.02Å; F293-F295 HydrophobicContact CB-CE2 3.77Å; F293-F295 AromaticContact CD1-CE2 4Å; F293-F295 HydrophobicContact CD1-CE2 4Å; F293-F295 HydrophobicContact CG-CE2 4.26Å
294	T	98.1	Very high	91.6	Very high	22 Å²	22	46.5 Å²	46.5	14%	0.135	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.6	168.8	-57.4	0	0	0	0	109.4	A236 S237 M267	A236-T294 HydrophobicContact CB-CG2 4.46Å; A236-T294 PolarHBondContact N-O 2.98Å; S237-T294 PolarHBondContact N-O 3.47Å; S237-T294 PolarHBondContact O-N 2.78Å; S237-T294 WeakPolarHBondContact OG-CB 3.36Å; S237-T294 PolarHBondContact OG-OG1 3.29Å; M267-T294 CarbonylContact O-C 3.57Å; M267-T294 VanDerWaalsContact O-CA 3.23Å; M267-T294 WeakPolarHBondContact O-CA 3.45Å
295	F	98.1	Very high	92.5	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.9	174.5	-83.6	-102.3	0	0	0	111.2	A221 A225 I233 V234 T235 S266 M267 I269 F293	A221-F295 HydrophobicContact CB-CD2 4.25Å; A221-F295 HydrophobicContact CB-CE2 3.43Å; A221-F295 VanDerWaalsContact CB-CE2 3.43Å; A221-F295 HydrophobicContact CB-CZ 4.02Å; A225-F295 HydrophobicContact CB-CB 3.85Å; A225-F295 HydrophobicContact CB-CD1 3.99Å; A225-F295 HydrophobicContact CB-CG 3.86Å; I233-F295 HydrophobicContact CB-CD1 4.24Å; I233-F295 HydrophobicContact CD1-CD1 3.6Å; I233-F295 HydrophobicContact CD1-CE1 3.54Å; V234-F295 VanDerWaalsContact C-CD1 3.44Å; V234-F295 WeakPolarHBondContact O-CA 3.49Å; V234-F295 WeakPolarHBondContact O-CD1 3.44Å; T235-F295 HydrophobicContact CG2-CE2 4.13Å; T235-F295 HydrophobicContact CG2-CZ 4.14Å; T235-F295 WeakPolarHBondContact OG1-CE1 3.31Å; T235-F295 WeakPolarHBondContact OG1-CZ 3.29Å; S266-F295 CarbonylContact C-O 3.53Å; S266-F295 VanDerWaalsContact CA-O 3.29Å; S266-F295 WeakPolarHBondContact CA-O 3.37Å; M267-F295 HydrophobicContact CE-CB 3.98Å; M267-F295 PolarHBondContact N-O 3.34Å; M267-F295 PolarHBondContact O-N 3.17Å; I269-F295 HydrophobicContact CD1-CD2 4.03Å; I269-F295 HydrophobicContact CD1-CG 4.49Å; F293-F295 HydrophobicContact CB-CD2 4.02Å; F293-F295 HydrophobicContact CB-CE2 3.77Å; F293-F295 AromaticContact CD1-CE2 4Å; F293-F295 HydrophobicContact CD1-CE2 4Å; F293-F295 HydrophobicContact CG-CE2 4.26Å
296	I	96.8	Very high	92.9	Very high	43 Å²	43	47.9 Å²	47.9	22%	0.221	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.5	169.3	62.4	174.7	0	0	0	109.7	I233 V234 A236 R265 L298	I233-I296 WeakPolarHBondContact CA-O 3.48Å; V234-I296 HydrophobicContact CG2-CD1 3.86Å; V234-I296 HydrophobicContact CG2-CG1 3.47Å; V234-I296 VanDerWaalsContact CG2-CG1 3.47Å; V234-I296 PolarHBondContact N-O 2.64Å; V234-I296 VanDerWaalsContact N-O 3.07Å; V234-I296 PolarHBondContact O-N 2.89Å; A236-I296 HydrophobicContact CB-CG1 4.33Å; A236-I296 HydrophobicContact CB-CG2 3.87Å; R265-I296 WeakPolarHBondContact O-CG2 3.28Å; I296-L298 HydrophobicContact CD1-CD2 3.91Å; I296-L298 HydrophobicContact CG1-CD2 4.3Å
297	S	95.8	Very high	93.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.7	172.2	167.7	0	0	0	0	109.7	T231 N232 P304 L305	T231-S297 PolarHBondContact OG1-OG 2.86Å; N232-S297 CarbonylContact O-C 3.58Å; N232-S297 WeakPolarHBondContact O-CA 3.4Å; S297-P304 CarbonylContact O-C 3.6Å; S297-P304 WeakPolarHBondContact O-CA 3.45Å; S297-L305 PolarHBondContact O-N 3.37Å
298	L	93.1	Very high	93.5	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.7	179.4	-60.2	-177.5	0	0	0	111.2	N232 V234 I296 N302 K303 P304	N232-L298 HydrophobicContact CB-CB 4.5Å; N232-L298 PolarHBondContact O-N 2.91Å; V234-L298 HydrophobicContact CB-CD1 4.41Å; V234-L298 HydrophobicContact CG1-CD1 3.8Å; V234-L298 HydrophobicContact CG2-CD1 3.65Å; V234-L298 HydrophobicContact CG2-CG 4.03Å; I296-L298 HydrophobicContact CD1-CD2 3.91Å; I296-L298 HydrophobicContact CG1-CD2 4.3Å; L298-N302 HydrophobicContact CD1-CB 4.36Å; L298-K303 CarbonylContact C-O 3.57Å; L298-K303 WeakPolarHBondContact CA-O 3.06Å; L298-P304 HydrophobicContact CD2-CG 4.27Å
299	D	90.9	Very high	93.7	Very high	48 Å²	48	52 Å²	52	26%	0.257	27%	0.272	S	S	.	.			trans	-82.3	-175.4	167.6	71.8	12.5	0	0	0	112.4	E301 N302 K303 L305	D299-E301 PolarHBondContact O-N 3Å; D299-E301 VanDerWaalsContact OD1-C 3.27Å; D299-E301 VanDerWaalsContact OD1-CA 3.29Å; D299-E301 WeakPolarHBondContact OD1-CA 3.43Å; D299-E301 WeakPolarHBondContact OD1-CB 3.28Å; D299-E301 PolarHBondContact OD1-N 3.34Å; D299-N302 PolarHBondContact O-N 3.43Å; D299-N302 VanDerWaalsContact O-N 3.1Å; D299-N302 PolarHBondContact OD1-N 3.29Å; D299-N302 VanDerWaalsContact OD1-N 3.08Å; D299-K303 PolarHBondContact N-O 2.78Å; D299-K303 PolarHBondContact OD1-N 3.3Å; D299-K303 WeakPolarHBondContact OD2-CB 3.43Å; D299-L305 HydrophobicContact CB-CD1 4.05Å; D299-L305 HydrophobicContact CB-CD2 3.93Å; D299-L305 HydrophobicContact CB-CG 3.97Å
300	K	86.6	Confident	93.9	Very high	197 Å²	197	52.9 Å²	52.9	86%	0.857	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.4	178.8	-63.3	-178.3	179.9	180	0	113.5
301	E	86.9	Confident	94.1	Very high	131 Å²	131	55.7 Å²	55.7	61%	0.612	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	11.6	176.6	-59.5	-173	167	0	0	111.9	D299 K303	D299-E301 PolarHBondContact O-N 3Å; D299-E301 VanDerWaalsContact OD1-C 3.27Å; D299-E301 VanDerWaalsContact OD1-CA 3.29Å; D299-E301 WeakPolarHBondContact OD1-CA 3.43Å; D299-E301 WeakPolarHBondContact OD1-CB 3.28Å; D299-E301 PolarHBondContact OD1-N 3.34Å; E301-K303 VanDerWaalsContact C-N 3.25Å; E301-K303 HydrophobicContact CB-CD 4.41Å; E301-K303 HydrophobicContact CB-CG 4.4Å; E301-K303 PolarHBondContact O-N 2.97Å; E301-K303 WeakPolarHBondContact OE2-CE 3.45Å; E301-K303 IonicContact OE2-NZ 2.69Å; E301-K303 PolarHBondContact OE2-NZ 2.99Å
302	N	83.8	Confident	94.1	Very high	67 Å²	67	57.7 Å²	57.7	36%	0.358	30%	0.295	S	S	.	.	S	Bend	trans	60.8	26.5	-174.3	-61.9	-74.1	0	0	0	114.4	N28 L298 D299	N28-N302 PolarHBondContact ND2-OD1 3.2Å; L298-N302 HydrophobicContact CD1-CB 4.36Å; D299-N302 PolarHBondContact O-N 3.43Å; D299-N302 VanDerWaalsContact O-N 3.1Å; D299-N302 PolarHBondContact OD1-N 3.29Å; D299-N302 VanDerWaalsContact OD1-N 3.08Å
303	K	89.3	Confident	93.9	Very high	112 Å²	112	60.2 Å²	60.2	49%	0.487	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-91.4	140.4	173.9	-63.6	172.1	177.7	159.1	0	110.9	L298 D299 E301 L305	L298-K303 CarbonylContact C-O 3.57Å; L298-K303 WeakPolarHBondContact CA-O 3.06Å; D299-K303 PolarHBondContact N-O 2.78Å; D299-K303 PolarHBondContact OD1-N 3.3Å; D299-K303 WeakPolarHBondContact OD2-CB 3.43Å; E301-K303 VanDerWaalsContact C-N 3.25Å; E301-K303 HydrophobicContact CB-CD 4.41Å; E301-K303 HydrophobicContact CB-CG 4.4Å; E301-K303 PolarHBondContact O-N 2.97Å; E301-K303 WeakPolarHBondContact OE2-CE 3.45Å; E301-K303 IonicContact OE2-NZ 2.69Å; E301-K303 PolarHBondContact OE2-NZ 2.99Å; K303-L305 PolarHBondContact O-N 3.13Å
304	P	92.4	Very high	93.5	Very high	76 Å²	76	62.9 Å²	62.9	49%	0.494	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-59	132.7	177.6	-25.9	34.8	0	0	0	113.2	R265 S297 L298	R265-P304 PolarHBondContact NH1-O 2.9Å; S297-P304 CarbonylContact O-C 3.6Å; S297-P304 WeakPolarHBondContact O-CA 3.45Å; L298-P304 HydrophobicContact CD2-CG 4.27Å
305	L	94.9	Very high	93.1	Very high	57 Å²	57	68.9 Å²	68.9	30%	0.298	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-96.3	166.8	173.5	-71.2	176.4	0	0	0	111.9	T231 R265 S297 D299 K303	T231-L305 HydrophobicContact CG2-CD1 4.12Å; R265-L305 WeakPolarHBondContact CD-O 3.19Å; R265-L305 PolarHBondContact NH1-O 3.41Å; S297-L305 PolarHBondContact O-N 3.37Å; D299-L305 HydrophobicContact CB-CD1 4.05Å; D299-L305 HydrophobicContact CB-CD2 3.93Å; D299-L305 HydrophobicContact CB-CG 3.97Å; K303-L305 PolarHBondContact O-N 3.13Å
306	N	96.7	Very high	92.7	Very high	109 Å²	109	73.5 Å²	73.5	58%	0.583	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-76.7	139	167.7	-75.9	-21.5	0	0	0	108.9	N264 R265	N264-N306 VanDerWaalsContact O-CA 3.3Å; N264-N306 WeakPolarHBondContact O-CA 3.21Å; R265-N306 WeakPolarHBondContact CD-OD1 3.18Å; R265-N306 PolarHBondContact NE-OD1 3.2Å; R265-N306 PolarHBondContact NH1-OD1 3.33Å; R265-N306 PolarHBondContact NH2-OD1 2.81Å
307	V	97.4	Very high	92.5	Very high	12 Å²	12	73.1 Å²	73.1	7%	0.073	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-91.2	136.5	178.8	176.4	0	0	0	0	109.6	V262 N264 M267	V262-V307 HydrophobicContact CG1-CB 4.09Å; V262-V307 HydrophobicContact CG1-CG1 3.47Å; V262-V307 VanDerWaalsContact CG1-CG1 3.47Å; V262-V307 HydrophobicContact CG2-CG1 4.48Å; N264-V307 PolarHBondContact O-N 3.01Å; M267-V307 HydrophobicContact CG-CG1 3.51Å; M267-V307 HydrophobicContact CG-CG2 4.38Å; M267-V307 HydrophobicContact SD-CG1 4.04Å
308	P	97.2	Very high	92.5	Very high	32 Å²	32	76.8 Å²	76.8	21%	0.208	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58	135.9	173.6	-23.3	33.8	0	0	0	111.6	H228	H228-P308 PolarHBondContact NE2-O 3.16Å
309	P	97.3	Very high	92.5	Very high	101 Å²	101	81.1 Å²	81.1	66%	0.656	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-63.2	140.7	179.7	27	-34	0	0	0	111	H184	H184-P309 WeakPolarHBondContact CB-O 3.37Å
310	L	97.1	Very high	92.6	Very high	19 Å²	19	80.3 Å²	80.3	10%	0.099	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-79.5	125.3	175.2	-178.4	61.8	0	0	0	109.8	H184 V186 L259 V262 I312 F321	H184-L310 WeakPolarHBondContact O-CD1 3.43Å; V186-L310 HydrophobicContact CG2-CD1 3.93Å; V186-L310 HydrophobicContact CG2-CD2 4.17Å; V186-L310 HydrophobicContact CG2-CG 4.35Å; L259-L310 HydrophobicContact CB-CD1 4.17Å; L259-L310 HydrophobicContact CB-CD2 3.85Å; L259-L310 HydrophobicContact CD1-CD1 3.85Å; V262-L310 HydrophobicContact CB-CB 3.99Å; V262-L310 HydrophobicContact CG2-CB 3.71Å; V262-L310 HydrophobicContact CG2-CD2 4.3Å; L310-I312 HydrophobicContact CB-CD1 4.49Å; L310-I312 HydrophobicContact CD2-CD1 3.62Å; L310-I312 HydrophobicContact CG-CD1 3.65Å; L310-F321 HydrophobicContact CB-CE2 4.48Å; L310-F321 HydrophobicContact CD2-CD2 4.23Å; L310-F321 HydrophobicContact CD2-CE2 4.46Å
311	K	96.1	Very high	93.1	Very high	87 Å²	87	73 Å²	73	38%	0.378	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-82.3	127.3	169.1	-64.6	177.6	-179.2	173.4	0	108.2	E182 H184 T185	E182-K311 HydrophobicContact CG-CD 4.34Å; E182-K311 IonicContact OE1-NZ 3.47Å; E182-K311 PolarHBondContact OE1-NZ 3.41Å; H184-K311 PolarHBondContact O-N 2.88Å; T185-K311 HydrophobicContact CG2-CB 4.07Å; T185-K311 HydrophobicContact CG2-CD 4.43Å
312	I	94.4	Very high	93.6	Very high	46 Å²	46	72.2 Å²	72.2	24%	0.236	38%	0.381	C	S	.	.			trans	-108.1	129.3	-174.3	-60.8	-59.9	0	0	0	108.6	L310 E317 Q318 F321	L310-I312 HydrophobicContact CB-CD1 4.49Å; L310-I312 HydrophobicContact CD2-CD1 3.62Å; L310-I312 HydrophobicContact CG-CD1 3.65Å; I312-E317 HydrophobicContact CG2-CB 3.67Å; I312-Q318 HydrophobicContact CG2-CB 3.98Å; I312-Q318 VanDerWaalsContact CG2-N 3.3Å; I312-F321 HydrophobicContact CD1-CB 3.97Å; I312-F321 HydrophobicContact CD1-CD2 3.53Å; I312-F321 HydrophobicContact CD1-CE2 4.29Å; I312-F321 HydrophobicContact CD1-CG 3.99Å; I312-F321 HydrophobicContact CG1-CB 4.26Å; I312-F321 HydrophobicContact CG1-CD2 3.89Å; I312-F321 HydrophobicContact CG1-CE2 4.42Å; I312-F321 HydrophobicContact CG1-CG 4.08Å
313	E	90.5	Very high	94	Very high	90 Å²	90	71.5 Å²	71.5	42%	0.421	38%	0.376	S	S	.	.			trans	-124.4	120.7	-177.9	-65.4	177	-173.9	0	0	110.5	T185 E317	T185-E313 VanDerWaalsContact CG2-OE1 3.24Å; T185-E313 WeakPolarHBondContact CG2-OE1 3.38Å; E313-E317 PolarHBondContact N-OE2 2.83Å; E313-E317 WeakPolarHBondContact O-CB 3.33Å; E313-E317 VanDerWaalsContact O-CD 3.32Å; E313-E317 VanDerWaalsContact O-CG 3.29Å; E313-E317 WeakPolarHBondContact O-CG 3.48Å
314	G	89.8	Confident	94.3	Very high	55 Å²	55	66.2 Å²	66.2	57%	0.567	35%	0.353	S	S	*	.	H	α-helix	trans	78.6	167.3	178.4	0	0	0	0	0	115.2	D316 E317 Q318	G314-D316 VanDerWaalsContact C-N 3.32Å; G314-D316 PolarHBondContact O-N 2.91Å; G314-E317 PolarHBondContact O-N 2.87Å; G314-Q318 PolarHBondContact O-N 2.71Å; G314-Q318 VanDerWaalsContact O-N 3.15Å
315	D	91.2	Very high	94.5	Very high	148 Å²	148	67.9 Å²	67.9	79%	0.791	35%	0.352	S	S	*	.	H	α-helix	trans	-66.9	-34.2	-170.6	-61.6	-21.5	0	0	0	112.7	Q318 K319	D315-Q318 PolarHBondContact O-N 3.49Å; D315-K319 WeakPolarHBondContact O-CB 3.42Å; D315-K319 PolarHBondContact O-N 2.99Å
316	D	88.3	Confident	94.5	Very high	100 Å²	100	67.8 Å²	67.8	54%	0.535	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-45.5	179.8	-103.6	26.4	0	0	0	112.7	G314 R320	G314-D316 VanDerWaalsContact C-N 3.32Å; G314-D316 PolarHBondContact O-N 2.91Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 3.12Å; D316-R320 PolarHBondContact O-NH1 3.28Å; D316-R320 IonicContact OD2-CZ 3.5Å; D316-R320 IonicContact OD2-NH2 3.7Å; D316-R320 PolarHBondContact OD2-NH2 3.3Å
317	E	92.9	Very high	94.4	Very high	36 Å²	36	64 Å²	64	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-70.3	-38.9	176.5	-63	-169.6	172.1	0	0	110.8	V186 I312 E313 G314 R320 F321	V186-E317 WeakPolarHBondContact CB-OE1 3.34Å; V186-E317 HydrophobicContact CG2-CG 4.28Å; V186-E317 WeakPolarHBondContact CG2-OE2 3.43Å; I312-E317 HydrophobicContact CG2-CB 3.67Å; E313-E317 PolarHBondContact N-OE2 2.83Å; E313-E317 WeakPolarHBondContact O-CB 3.33Å; E313-E317 VanDerWaalsContact O-CD 3.32Å; E313-E317 VanDerWaalsContact O-CG 3.29Å; E313-E317 WeakPolarHBondContact O-CG 3.48Å; G314-E317 PolarHBondContact O-N 2.87Å; E317-R320 PolarHBondContact O-N 3.12Å; E317-F321 WeakPolarHBondContact O-CB 3.35Å; E317-F321 PolarHBondContact O-N 3.24Å
318	Q	94.9	Very high	94.2	Very high	78 Å²	78	66.6 Å²	66.6	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-47.2	176.2	-176.7	60.4	36.8	0	0	111.8	I312 G314 D315 R320 F321 E322	I312-Q318 HydrophobicContact CG2-CB 3.98Å; I312-Q318 VanDerWaalsContact CG2-N 3.3Å; G314-Q318 PolarHBondContact O-N 2.71Å; G314-Q318 VanDerWaalsContact O-N 3.15Å; D315-Q318 PolarHBondContact O-N 3.49Å; Q318-R320 PolarHBondContact O-N 3.48Å; Q318-F321 WeakPolarHBondContact O-CB 3.25Å; Q318-F321 PolarHBondContact O-N 3.23Å; Q318-E322 PolarHBondContact NE2-OE1 2.95Å; Q318-E322 WeakPolarHBondContact O-CG 3.24Å; Q318-E322 PolarHBondContact O-N 2.87Å
319	K	93.5	Very high	94.1	Very high	103 Å²	103	69.5 Å²	69.5	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-57.3	-48.5	175.4	-178.3	-174.3	172.7	-165.3	0	111.3	E168 D315 F321 E322 E323	E168-K319 IonicContact OE1-NZ 2.8Å; D315-K319 WeakPolarHBondContact O-CB 3.42Å; D315-K319 PolarHBondContact O-N 2.99Å; K319-F321 VanDerWaalsContact C-N 3.3Å; K319-F321 PolarHBondContact O-N 2.89Å; K319-E322 PolarHBondContact O-N 2.78Å; K319-E323 WeakPolarHBondContact O-CG 3.16Å; K319-E323 PolarHBondContact O-N 3Å
320	R	93.6	Very high	93.8	Very high	30 Å²	30	70.6 Å²	70.6	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-64.3	-35.7	179.4	-69.7	178.9	-151.5	110.6	5.3	112.3	R258 T260 D316 E317 Q318 E323 G324	R258-R320 VanDerWaalsContact NH2-NE 3.11Å; T260-R320 HydrophobicContact CG2-CB 4.34Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 3.12Å; D316-R320 PolarHBondContact O-NH1 3.28Å; D316-R320 IonicContact OD2-CZ 3.5Å; D316-R320 IonicContact OD2-NH2 3.7Å; D316-R320 PolarHBondContact OD2-NH2 3.3Å; E317-R320 PolarHBondContact O-N 3.12Å; Q318-R320 PolarHBondContact O-N 3.48Å; R320-E323 PolarHBondContact O-N 3.41Å; R320-G324 PolarHBondContact O-N 3.41Å
321	F	96.6	Very high	93.4	Very high	44 Å²	44	70.8 Å²	70.8	19%	0.193	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-43.7	176.1	-169.6	-91	0	0	0	112.6	T260 F261 L310 I312 E317 Q318 K319 G324 K325	T260-F321 WeakPolarHBondContact O-CA 3.34Å; T260-F321 PolarHBondContact O-N 2.88Å; F261-F321 HydrophobicContact CB-CD2 4.42Å; F261-F321 HydrophobicContact CD2-CD1 4.25Å; F261-F321 AromaticContact CD2-CD2 3.98Å; F261-F321 HydrophobicContact CD2-CD2 3.98Å; F261-F321 AromaticContact CD2-CE1 3.93Å; F261-F321 HydrophobicContact CD2-CE1 3.93Å; F261-F321 AromaticContact CD2-CE2 3.67Å; F261-F321 HydrophobicContact CD2-CE2 3.67Å; F261-F321 HydrophobicContact CD2-CG 4.28Å; F261-F321 AromaticContact CD2-CZ 3.63Å; F261-F321 HydrophobicContact CD2-CZ 3.63Å; F261-F321 HydrophobicContact CE2-CE1 4.05Å; F261-F321 HydrophobicContact CE2-CE2 4.27Å; F261-F321 AromaticContact CE2-CZ 3.8Å; F261-F321 HydrophobicContact CE2-CZ 3.8Å; L310-F321 HydrophobicContact CB-CE2 4.48Å; L310-F321 HydrophobicContact CD2-CD2 4.23Å; L310-F321 HydrophobicContact CD2-CE2 4.46Å; I312-F321 HydrophobicContact CD1-CB 3.97Å; I312-F321 HydrophobicContact CD1-CD2 3.53Å; I312-F321 HydrophobicContact CD1-CE2 4.29Å; I312-F321 HydrophobicContact CD1-CG 3.99Å; I312-F321 HydrophobicContact CG1-CB 4.26Å; I312-F321 HydrophobicContact CG1-CD2 3.89Å; I312-F321 HydrophobicContact CG1-CE2 4.42Å; I312-F321 HydrophobicContact CG1-CG 4.08Å; E317-F321 WeakPolarHBondContact O-CB 3.35Å; E317-F321 PolarHBondContact O-N 3.24Å; Q318-F321 WeakPolarHBondContact O-CB 3.25Å; Q318-F321 PolarHBondContact O-N 3.23Å; K319-F321 VanDerWaalsContact C-N 3.3Å; K319-F321 PolarHBondContact O-N 2.89Å; F321-G324 PolarHBondContact O-N 2.82Å; F321-K325 WeakPolarHBondContact O-CB 3.4Å; F321-K325 PolarHBondContact O-N 2.75Å
322	E	96.9	Very high	93.1	Very high	114 Å²	114	71.3 Å²	71.3	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-42.2	175.6	-71	174.7	-171.2	0	0	112	Q318 K319 K325 S326	Q318-E322 PolarHBondContact NE2-OE1 2.95Å; Q318-E322 WeakPolarHBondContact O-CG 3.24Å; Q318-E322 PolarHBondContact O-N 2.87Å; K319-E322 PolarHBondContact O-N 2.78Å; E322-K325 PolarHBondContact O-N 3.37Å; E322-S326 PolarHBondContact O-N 2.79Å
323	E	93.8	Very high	92.9	Very high	53 Å²	53	71.9 Å²	71.9	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-43.5	174	-71.4	-171.3	-161.2	0	0	112.4	R165 K319 R320 S326 R327	R165-E323 IonicContact CZ-OE2 2.75Å; R165-E323 IonicContact NH1-OE2 3.94Å; R165-E323 PolarHBondContact NH1-OE2 3.44Å; R165-E323 IonicContact NH2-OE2 3.13Å; R165-E323 PolarHBondContact NH2-OE2 2.86Å; K319-E323 WeakPolarHBondContact O-CG 3.16Å; K319-E323 PolarHBondContact O-N 3Å; R320-E323 PolarHBondContact O-N 3.41Å; E323-S326 WeakPolarHBondContact O-CB 3.13Å; E323-S326 PolarHBondContact O-N 3.03Å; E323-R327 PolarHBondContact O-N 3.24Å; E323-R327 IonicContact OE2-NH1 2.83Å
324	G	95.4	Very high	92.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.4	-38.1	176.7	0	0	0	0	0	112.7	E268 R320 F321 S326 R327 Y328	E268-G324 WeakPolarHBondContact OE1-CA 3.29Å; R320-G324 PolarHBondContact O-N 3.41Å; F321-G324 PolarHBondContact O-N 2.82Å; G324-S326 VanDerWaalsContact C-N 3.33Å; G324-S326 PolarHBondContact O-N 3.45Å; G324-R327 VanDerWaalsContact CA-NH2 3.25Å; G324-R327 PolarHBondContact O-N 3.3Å; G324-Y328 WeakPolarHBondContact O-CB 3.48Å; G324-Y328 PolarHBondContact O-N 3.01Å
325	K	96.6	Very high	92.5	Very high	111 Å²	111	74.2 Å²	74.2	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-42.3	171.3	-173.4	179.5	179.6	-178	0	111.5	F261 F321 E322 Y328 L329	F261-K325 HydrophobicContact CD2-CB 3.85Å; F261-K325 HydrophobicContact CE2-CB 3.63Å; F261-K325 HydrophobicContact CE2-CG 3.92Å; F261-K325 HydrophobicContact CZ-CB 4.25Å; F261-K325 HydrophobicContact CZ-CG 4.28Å; F321-K325 WeakPolarHBondContact O-CB 3.4Å; F321-K325 PolarHBondContact O-N 2.75Å; E322-K325 PolarHBondContact O-N 3.37Å; K325-Y328 PolarHBondContact O-N 3.1Å; K325-L329 HydrophobicContact CG-CD1 4.42Å; K325-L329 WeakPolarHBondContact O-CG 3.45Å; K325-L329 PolarHBondContact O-N 3.14Å
326	S	95	Very high	92.3	Very high	56 Å²	56	71.3 Å²	71.3	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-49.3	176.4	-173.4	0	0	0	0	111.6	E322 E323 G324 Y328 L329 Q330	E322-S326 PolarHBondContact O-N 2.79Å; E323-S326 WeakPolarHBondContact O-CB 3.13Å; E323-S326 PolarHBondContact O-N 3.03Å; G324-S326 VanDerWaalsContact C-N 3.33Å; G324-S326 PolarHBondContact O-N 3.45Å; S326-Y328 VanDerWaalsContact C-N 3.32Å; S326-Y328 PolarHBondContact O-N 3.47Å; S326-L329 PolarHBondContact O-N 2.84Å; S326-L329 VanDerWaalsContact O-N 3.17Å; S326-Q330 WeakPolarHBondContact O-CG 3.27Å; S326-Q330 PolarHBondContact O-N 3.19Å
327	R	93.3	Very high	92.2	Very high	30 Å²	30	68.1 Å²	68.1	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-56.5	-45.2	174	-74.8	-173.5	-67.1	-87.7	2.4	111.9	E268 E323 G324 L329 Q330 N331	E268-R327 IonicContact OE1-CZ 3.6Å; E268-R327 IonicContact OE1-NE 3.58Å; E268-R327 PolarHBondContact OE1-NE 2.95Å; E268-R327 IonicContact OE1-NH2 2.74Å; E268-R327 PolarHBondContact OE1-NH2 2.83Å; E268-R327 IonicContact OE2-CZ 3.51Å; E268-R327 IonicContact OE2-NE 2.81Å; E268-R327 PolarHBondContact OE2-NE 3.07Å; E268-R327 IonicContact OE2-NH2 3.43Å; E323-R327 PolarHBondContact O-N 3.24Å; E323-R327 IonicContact OE2-NH1 2.83Å; G324-R327 VanDerWaalsContact CA-NH2 3.25Å; G324-R327 PolarHBondContact O-N 3.3Å; R327-L329 PolarHBondContact O-N 2.91Å; R327-Q330 PolarHBondContact O-N 2.66Å; R327-N331 WeakPolarHBondContact O-CB 3.46Å; R327-N331 VanDerWaalsContact O-CG 3.25Å; R327-N331 PolarHBondContact O-N 3.05Å; R327-N331 PolarHBondContact O-ND2 3.39Å
328	Y	94.5	Very high	91.6	Very high	65 Å²	65	70 Å²	70	26%	0.255	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-44.7	176.8	171.7	-100.9	0	0	0	112.6	F261 G324 K325 S326 N331 K332	F261-Y328 HydrophobicContact CE1-CD1 4.03Å; F261-Y328 HydrophobicContact CE1-CD2 4.14Å; F261-Y328 AromaticContact CE1-CG 3.66Å; F261-Y328 HydrophobicContact CE1-CG 3.66Å; F261-Y328 HydrophobicContact CZ-CD1 4.2Å; F261-Y328 HydrophobicContact CZ-CG 4.28Å; G324-Y328 WeakPolarHBondContact O-CB 3.48Å; G324-Y328 PolarHBondContact O-N 3.01Å; K325-Y328 PolarHBondContact O-N 3.1Å; S326-Y328 VanDerWaalsContact C-N 3.32Å; S326-Y328 PolarHBondContact O-N 3.47Å; Y328-N331 PolarHBondContact O-N 3.42Å; Y328-K332 HydrophobicContact CE1-CD 4.46Å; Y328-K332 WeakPolarHBondContact O-CB 3.38Å; Y328-K332 PolarHBondContact O-N 2.88Å
329	L	94.6	Very high	90.8	Very high	93 Å²	93	72.8 Å²	72.8	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-43.6	179	-70.2	174.1	0	0	0	112	K325 S326 R327 N331 K332 A333	K325-L329 HydrophobicContact CG-CD1 4.42Å; K325-L329 WeakPolarHBondContact O-CG 3.45Å; K325-L329 PolarHBondContact O-N 3.14Å; S326-L329 PolarHBondContact O-N 2.84Å; S326-L329 VanDerWaalsContact O-N 3.17Å; R327-L329 PolarHBondContact O-N 2.91Å; L329-N331 VanDerWaalsContact C-N 3.33Å; L329-N331 PolarHBondContact O-N 2.78Å; L329-K332 PolarHBondContact O-N 3.41Å; L329-A333 WeakPolarHBondContact O-CB 3.28Å; L329-A333 PolarHBondContact O-N 2.68Å
330	Q	90.8	Very high	90.1	Very high	124 Å²	124	74.3 Å²	74.3	58%	0.579	36%	0.355	S	S	*	.	H	α-helix	trans	-59	-46.5	174	-69.2	173.7	-4.1	0	0	111	S326 R327 K332 A333 R334	S326-Q330 WeakPolarHBondContact O-CG 3.27Å; S326-Q330 PolarHBondContact O-N 3.19Å; R327-Q330 PolarHBondContact O-N 2.66Å; Q330-K332 VanDerWaalsContact C-N 3.32Å; Q330-K332 PolarHBondContact O-N 2.8Å; Q330-A333 PolarHBondContact O-N 3.16Å; Q330-R334 PolarHBondContact O-N 2.91Å
331	N	89	Confident	89.1	Confident	23 Å²	23	82.9 Å²	82.9	12%	0.123	39%	0.388	C	S	.	.	H	α-helix	trans	-64.1	-34.8	177.4	-79.9	-26.1	0	0	0	112.8	K67 D239 R327 Y328 L329 R335	K67-N331 PolarHBondContact NZ-ND2 2.83Å; K67-N331 PolarHBondContact NZ-OD1 2.91Å; D239-N331 PolarHBondContact OD1-ND2 2.69Å; R327-N331 WeakPolarHBondContact O-CB 3.46Å; R327-N331 VanDerWaalsContact O-CG 3.25Å; R327-N331 PolarHBondContact O-N 3.05Å; R327-N331 PolarHBondContact O-ND2 3.39Å; Y328-N331 PolarHBondContact O-N 3.42Å; L329-N331 VanDerWaalsContact C-N 3.33Å; L329-N331 PolarHBondContact O-N 2.78Å; N331-R335 WeakPolarHBondContact O-CG 3.5Å; N331-R335 PolarHBondContact O-N 3.21Å; N331-R335 PolarHBondContact O-NE 2.8Å; N331-R335 VanDerWaalsContact O-NE 3.13Å
332	K	89.8	Confident	87.4	Confident	98 Å²	98	88.5 Å²	88.5	43%	0.426	42%	0.415	S	S	.	.	H	α-helix	trans	-69.5	-45.4	174.2	-173.9	179.4	177.4	-174.3	0	111.3	Y328 L329 Q330 R334 R335 L336	Y328-K332 HydrophobicContact CE1-CD 4.46Å; Y328-K332 WeakPolarHBondContact O-CB 3.38Å; Y328-K332 PolarHBondContact O-N 2.88Å; L329-K332 PolarHBondContact O-N 3.41Å; Q330-K332 VanDerWaalsContact C-N 3.32Å; Q330-K332 PolarHBondContact O-N 2.8Å; K332-R334 PolarHBondContact O-N 2.99Å; K332-R335 PolarHBondContact O-N 2.9Å; K332-L336 HydrophobicContact CG-CD1 4.37Å; K332-L336 WeakPolarHBondContact O-CG 3.27Å; K332-L336 PolarHBondContact O-N 3.36Å; K332-L336 VanDerWaalsContact O-N 3.12Å
333	A	90.5	Very high	85	Confident	58 Å²	58	93.6 Å²	93.6	48%	0.479	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-44.4	177.9	0	0	0	0	0	111.7	L329 Q330 R335 L336 A337	L329-A333 WeakPolarHBondContact O-CB 3.28Å; L329-A333 PolarHBondContact O-N 2.68Å; Q330-A333 PolarHBondContact O-N 3.16Å; A333-R335 PolarHBondContact O-N 3.33Å; A333-L336 PolarHBondContact O-N 3.08Å; A333-A337 PolarHBondContact O-N 3.03Å
334	R	86.6	Confident	84.5	Confident	99 Å²	99	95.7 Å²	95.7	37%	0.374	45%	0.448	S	S	.	.	H	α-helix	trans	-59.4	-45.3	177.4	-164.9	-176.4	74.4	-179.1	6.3	112.5	E69 Q330 K332 L336 A337 E338	E69-R334 IonicContact OE1-NH2 3.34Å; Q330-R334 PolarHBondContact O-N 2.91Å; K332-R334 PolarHBondContact O-N 2.99Å; R334-L336 VanDerWaalsContact C-N 3.33Å; R334-L336 PolarHBondContact O-N 2.91Å; R334-A337 PolarHBondContact O-N 3.05Å; R334-E338 IonicContact NE-OE1 3.81Å; R334-E338 WeakPolarHBondContact O-CG 3.17Å; R334-E338 PolarHBondContact O-N 3.48Å
335	R	84.8	Confident	84	Confident	95 Å²	95	100.7 Å²	100.7	36%	0.358	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-35.6	177.9	-75.2	-179.2	-68.2	174.6	-2.3	113	N331 K332 A333 K339	N331-R335 WeakPolarHBondContact O-CG 3.5Å; N331-R335 PolarHBondContact O-N 3.21Å; N331-R335 PolarHBondContact O-NE 2.8Å; N331-R335 VanDerWaalsContact O-NE 3.13Å; K332-R335 PolarHBondContact O-N 2.9Å; A333-R335 PolarHBondContact O-N 3.33Å; R335-K339 WeakPolarHBondContact O-CG 3.29Å; R335-K339 PolarHBondContact O-N 3.02Å
336	L	86.7	Confident	83.3	Confident	88 Å²	88	100.1 Å²	100.1	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-68.2	-46.8	175.9	-71	168.8	0	0	0	110.8	K332 A333 R334 E338 K339 E340	K332-L336 HydrophobicContact CG-CD1 4.37Å; K332-L336 WeakPolarHBondContact O-CG 3.27Å; K332-L336 PolarHBondContact O-N 3.36Å; K332-L336 VanDerWaalsContact O-N 3.12Å; A333-L336 PolarHBondContact O-N 3.08Å; R334-L336 VanDerWaalsContact C-N 3.33Å; R334-L336 PolarHBondContact O-N 2.91Å; L336-E338 VanDerWaalsContact C-N 3.3Å; L336-E338 PolarHBondContact O-N 3.28Å; L336-K339 PolarHBondContact O-N 2.96Å; L336-K339 VanDerWaalsContact O-N 3.13Å; L336-E340 WeakPolarHBondContact O-CG 3.31Å; L336-E340 PolarHBondContact O-N 3.02Å
337	A	86.4	Confident	82.6	Confident	32 Å²	32	102.7 Å²	102.7	26%	0.264	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-36	177.1	0	0	0	0	0	112.9	A333 R334 R341	A333-A337 PolarHBondContact O-N 3.03Å; R334-A337 PolarHBondContact O-N 3.05Å; A337-R341 VanDerWaalsContact O-CG 3.32Å; A337-R341 WeakPolarHBondContact O-CG 3.21Å; A337-R341 PolarHBondContact O-N 3.16Å
338	E	80.4	Confident	81.9	Confident	77 Å²	77	107.3 Å²	107.3	36%	0.36	50%	0.498	S	S	.	.	H	α-helix	trans	-67.1	-37.8	174.5	-78	171	-166	0	0	112.5	R334 L336 R341 Q342	R334-E338 IonicContact NE-OE1 3.81Å; R334-E338 WeakPolarHBondContact O-CG 3.17Å; R334-E338 PolarHBondContact O-N 3.48Å; L336-E338 VanDerWaalsContact C-N 3.3Å; L336-E338 PolarHBondContact O-N 3.28Å; E338-R341 PolarHBondContact O-N 2.5Å; E338-Q342 WeakPolarHBondContact O-CG 2.84Å; E338-Q342 PolarHBondContact O-N 2.89Å
339	K	78.3	Confident	81.1	Confident	135 Å²	135	110.1 Å²	110.1	59%	0.587	51%	0.514	S	S	*	.	H	α-helix	trans	-66.6	-41.8	175.4	-76.9	179.8	177.5	-173	0	112	R335 L336 R341 Q342 Q343	R335-K339 WeakPolarHBondContact O-CG 3.29Å; R335-K339 PolarHBondContact O-N 3.02Å; L336-K339 PolarHBondContact O-N 2.96Å; L336-K339 VanDerWaalsContact O-N 3.13Å; K339-R341 VanDerWaalsContact C-N 3.29Å; K339-R341 PolarHBondContact O-N 3.31Å; K339-Q342 PolarHBondContact O-N 3.39Å; K339-Q342 VanDerWaalsContact O-N 3.15Å; K339-Q343 PolarHBondContact O-N 3.48Å
340	E	79.5	Confident	80.1	Confident	136 Å²	136	111.3 Å²	111.3	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-33.7	177.5	-71.6	170.3	176.4	0	0	112.3	L336 Q342	L336-E340 WeakPolarHBondContact O-CG 3.31Å; L336-E340 PolarHBondContact O-N 3.02Å; E340-Q342 VanDerWaalsContact C-N 3.28Å; E340-Q342 PolarHBondContact O-N 3.36Å
341	R	72.1	Confident	79.3	Confident	210 Å²	210	110.3 Å²	110.3	79%	0.792	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.4	175.3	-69.8	176.6	-156.3	-165.7	4.5	114.2	A337 E338 K339	A337-R341 VanDerWaalsContact O-CG 3.32Å; A337-R341 WeakPolarHBondContact O-CG 3.21Å; A337-R341 PolarHBondContact O-N 3.16Å; E338-R341 PolarHBondContact O-N 2.5Å; K339-R341 VanDerWaalsContact C-N 3.29Å; K339-R341 PolarHBondContact O-N 3.31Å
342	Q	59.8	Low	78.5	Confident	162 Å²	162	117.6 Å²	117.6	76%	0.757	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-4.2	-178.5	-70.7	175.2	14.1	0	0	112.9	E338 K339 E340	E338-Q342 WeakPolarHBondContact O-CG 2.84Å; E338-Q342 PolarHBondContact O-N 2.89Å; K339-Q342 PolarHBondContact O-N 3.39Å; K339-Q342 VanDerWaalsContact O-N 3.15Å; E340-Q342 VanDerWaalsContact C-N 3.28Å; E340-Q342 PolarHBondContact O-N 3.36Å
343	Q	46.7	Very low	77.4	Confident	221 Å²	221	119.4 Å²	119.4	100%	1.033	56%	0.555	S	S	*	*			trans	-98.7	0	174.4	-72.7	-178.2	-7.3	0	0	110.7	K339	K339-Q343 PolarHBondContact O-N 3.48Å

Retrieved 343 of 343 residues in 146.9 ms (Link to these results)

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