G4VPH8_SCHMA Loading...

Putative pdz and lim domain protein

AlphaFold DB , UniProt , Accession G4VPH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 321 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	84.1	Confident	214 Å²	214	82.1 Å²	82.1	100%	1.054	44%	0.436	S	S	*	.				0	111.6	0	-69.7	174.4	-179.2	0	0	106.7	S3 I91	M1-S3 PolarHBondContact O-N 3.39Å; M1-I91 HydrophobicContact SD-CD1 4.19Å
2	A	59.6	Low	85	Confident	70 Å²	70	78.2 Å²	78.2	58%	0.579	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-72.6	120.4	178	0	0	0	0	0	107.9
3	S	72.1	Confident	85.6	Confident	55 Å²	55	86.3 Å²	86.3	39%	0.385	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.6	162.3	-68.4	0	0	0	0	106.7	M1 Q87	M1-S3 PolarHBondContact O-N 3.39Å; S3-Q87 PolarHBondContact OG-NE2 3.25Å
4	Q	83.6	Confident	86	Confident	110 Å²	110	85.7 Å²	85.7	51%	0.514	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.7	175.9	-62.3	-175.3	28.5	0	0	108.2	Q87 R88 D90	Q4-Q87 WeakPolarHBondContact O-CA 3.4Å; Q4-R88 PolarHBondContact N-O 2.81Å; Q4-R88 PolarHBondContact O-N 3.21Å; Q4-D90 PolarHBondContact NE2-OD2 3.37Å
5	H	88.6	Confident	86.4	Confident	102 Å²	102	84.5 Å²	84.5	47%	0.472	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123	172.2	-68.5	-159.1	0	0	0	107.4	F85 V86	H5-F85 HydrophobicContact CB-CE1 3.86Å; H5-F85 HydrophobicContact CB-CE2 4.43Å; H5-F85 HydrophobicContact CB-CZ 3.61Å; H5-F85 AromaticContact ND1-CE1 3.51Å; H5-F85 AromaticContact ND1-CZ 3.93Å; H5-V86 WeakPolarHBondContact CA-O 3.4Å
6	C	91.4	Very high	86.7	Confident	38 Å²	38	84.4 Å²	84.4	26%	0.257	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.6	175.6	53.1	0	0	0	0	110.7	V86	C6-V86 PolarHBondContact N-O 3.36Å; C6-V86 PolarHBondContact O-N 2.76Å; C6-V86 WeakPolarHBondContact SG-CG2 3.22Å
7	S	94.8	Very high	87.1	Confident	62 Å²	62	83.7 Å²	83.7	43%	0.434	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.8	167.2	-158.8	0	0	0	0	108.8	E83	S7-E83 WeakPolarHBondContact OG-CG 3.07Å; S7-E83 PolarHBondContact OG-OE1 2.84Å
8	I	95.8	Very high	87.5	Confident	10 Å²	10	84.3 Å²	84.3	5%	0.051	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.1	-178	-61.8	176.6	0	0	0	107.7	L10 S47 L49 L84 V86	I8-L10 HydrophobicContact CG2-CD1 3.96Å; I8-S47 WeakPolarHBondContact CG2-O 3.42Å; I8-L49 HydrophobicContact CD1-CB 4.4Å; I8-L49 HydrophobicContact CD1-CD1 3.71Å; I8-L84 PolarHBondContact N-O 3.46Å; I8-L84 PolarHBondContact O-N 3.02Å; I8-V86 HydrophobicContact CD1-CG2 3.66Å; I8-V86 HydrophobicContact CG1-CG2 4.35Å
9	R	96.8	Very high	88	Confident	140 Å²	140	80.9 Å²	80.9	53%	0.528	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.7	176.9	-166.9	176.2	175.2	-161.9	1.1	110.2	I11 S47 D81 L82	R9-I11 HydrophobicContact CG-CD1 4.45Å; R9-I11 HydrophobicContact CG-CG1 4.19Å; R9-S47 PolarHBondContact O-OG 2.98Å; R9-D81 IonicContact CZ-OD1 3.46Å; R9-D81 IonicContact CZ-OD2 3.81Å; R9-D81 IonicContact NE-OD1 3.44Å; R9-D81 PolarHBondContact NE-OD1 3.35Å; R9-D81 IonicContact NE-OD2 2.73Å; R9-D81 PolarHBondContact NE-OD2 3.16Å; R9-D81 IonicContact NH2-OD1 2.69Å; R9-D81 IonicContact NH2-OD2 3.95Å; R9-D81 PolarHBondContact NH2-OD2 3.04Å; R9-L82 CarbonylContact C-O 3.47Å; R9-L82 WeakPolarHBondContact CA-O 3.48Å
10	L	96.5	Very high	88.4	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.4	177.8	-59.7	89.1	0	0	0	108	I8 W19 F21 I43 A44 L82 L84	I8-L10 HydrophobicContact CG2-CD1 3.96Å; L10-W19 HydrophobicContact CB-CE3 3.64Å; L10-W19 HydrophobicContact CB-CH2 4.33Å; L10-W19 HydrophobicContact CB-CZ3 3.51Å; L10-W19 HydrophobicContact CD2-CB 4.43Å; L10-W19 HydrophobicContact CD2-CE3 4.09Å; L10-W19 WeakPolarHBondContact O-CH2 3.37Å; L10-W19 WeakPolarHBondContact O-CZ3 3.28Å; L10-F21 HydrophobicContact CD2-CD1 4.25Å; L10-F21 HydrophobicContact CD2-CE1 4.17Å; L10-I43 HydrophobicContact CB-CG2 3.93Å; L10-I43 HydrophobicContact CD2-CG2 4.33Å; L10-I43 HydrophobicContact CG-CG2 4.46Å; L10-A44 HydrophobicContact CD2-CB 3.8Å; L10-L82 HydrophobicContact CB-CB 4.36Å; L10-L82 HydrophobicContact CD1-CD2 4.25Å; L10-L82 HydrophobicContact CD1-CG 4.34Å; L10-L82 PolarHBondContact N-O 3.42Å; L10-L82 PolarHBondContact O-N 2.95Å; L10-L84 HydrophobicContact CD1-CD1 4.02Å; L10-L84 HydrophobicContact CD1-CG 4.15Å
11	I	96.3	Very high	88.8	Confident	102 Å²	102	75.3 Å²	75.3	52%	0.523	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.4	-179.8	-56.5	175.6	0	0	0	108.7	R9 N80	R9-I11 HydrophobicContact CG-CD1 4.45Å; R9-I11 HydrophobicContact CG-CG1 4.19Å; I11-N80 WeakPolarHBondContact CA-O 3.43Å
12	R	94.9	Very high	91	Very high	35 Å²	35	72.5 Å²	72.5	13%	0.132	38%	0.383	C	S	.	.			trans	-131.2	152	176	65.4	-175.4	174.6	164	2.1	111.7	D14 T15 I17 W19 I43 S79 N80	R12-D14 WeakPolarHBondContact CD-O 3.27Å; R12-T15 PolarHBondContact NH1-O 3.36Å; R12-I17 VanDerWaalsContact CD-O 3.24Å; R12-I17 WeakPolarHBondContact CD-O 3.25Å; R12-I17 PolarHBondContact NH1-O 3.19Å; R12-W19 HydrophobicContact CB-CH2 4.4Å; R12-W19 HydrophobicContact CB-CZ3 4.02Å; R12-W19 HydrophobicContact CG-CE3 4.48Å; R12-W19 HydrophobicContact CG-CH2 3.73Å; R12-W19 HydrophobicContact CG-CZ2 4.29Å; R12-W19 HydrophobicContact CG-CZ3 3.81Å; R12-I43 HydrophobicContact CB-CD1 3.59Å; R12-S79 PolarHBondContact NE-O 2.79Å; R12-S79 PolarHBondContact NH2-O 3.39Å; R12-N80 HydrophobicContact CG-CB 4.3Å; R12-N80 PolarHBondContact N-O 2.8Å; R12-N80 WeakPolarHBondContact O-CB 3.42Å
13	Q	93	Very high	92.7	Very high	184 Å²	184	70.3 Å²	70.3	86%	0.86	36%	0.361	S	S	*	.	S	Bend	trans	-77.1	-36.2	179.9	-64.6	179.9	2.7	0	0	112.3
14	D	91.6	Very high	93.8	Very high	78 Å²	78	71.4 Å²	71.4	42%	0.417	36%	0.36	S	S	.	.			trans	-134	139.9	-178.6	-176.1	3.3	0	0	0	110.6	R12 S16 I17	R12-D14 WeakPolarHBondContact CD-O 3.27Å; D14-S16 PolarHBondContact O-N 2.67Å; D14-S16 VanDerWaalsContact O-N 3.16Å; D14-S16 PolarHBondContact OD1-N 2.96Å; D14-S16 VanDerWaalsContact OD1-N 3.1Å; D14-S16 WeakPolarHBondContact OD2-CB 3.37Å; D14-S16 PolarHBondContact OD2-OG 2.99Å; D14-I17 HydrophobicContact CB-CD1 4.44Å; D14-I17 HydrophobicContact CB-CG1 4.44Å; D14-I17 PolarHBondContact O-N 2.89Å
15	T	92	Very high	94.4	Very high	67 Å²	67	66.2 Å²	66.2	41%	0.411	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.1	172.2	58.9	0	0	0	0	114.1	R12 I17 N80	R12-T15 PolarHBondContact NH1-O 3.36Å; T15-I17 VanDerWaalsContact C-N 3.29Å; T15-I17 PolarHBondContact O-N 3.27Å; T15-N80 VanDerWaalsContact CG2-OD1 3.27Å; T15-N80 WeakPolarHBondContact CG2-OD1 3.46Å; T15-N80 PolarHBondContact N-OD1 2.6Å
16	S	90.7	Very high	94.7	Very high	84 Å²	84	61.4 Å²	61.4	59%	0.587	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.6	174.6	71.2	0	0	0	0	113.8	D14	D14-S16 PolarHBondContact O-N 2.67Å; D14-S16 VanDerWaalsContact O-N 3.16Å; D14-S16 PolarHBondContact OD1-N 2.96Å; D14-S16 VanDerWaalsContact OD1-N 3.1Å; D14-S16 WeakPolarHBondContact OD2-CB 3.37Å; D14-S16 PolarHBondContact OD2-OG 2.99Å
17	I	93.1	Very high	94.8	Very high	72 Å²	72	62.7 Å²	62.7	37%	0.369	32%	0.321	S	S	.	.	S	Bend	trans	-82.6	118.4	-178.3	-56.7	172.6	0	0	0	109	R12 D14 T15 I43	R12-I17 VanDerWaalsContact CD-O 3.24Å; R12-I17 WeakPolarHBondContact CD-O 3.25Å; R12-I17 PolarHBondContact NH1-O 3.19Å; D14-I17 HydrophobicContact CB-CD1 4.44Å; D14-I17 HydrophobicContact CB-CG1 4.44Å; D14-I17 PolarHBondContact O-N 2.89Å; T15-I17 VanDerWaalsContact C-N 3.29Å; T15-I17 PolarHBondContact O-N 3.27Å; I17-I43 HydrophobicContact CG2-CD1 3.69Å
18	P	94.3	Very high	94.9	Very high	94 Å²	94	63.8 Å²	63.8	61%	0.61	32%	0.322	S	S	*	.			trans	-67.7	144.9	-180	29.1	-34.8	0	0	0	111.2	G20	P18-G20 PolarHBondContact O-N 3.46Å
19	W	96.5	Very high	94.8	Very high	20 Å²	20	69 Å²	69	8%	0.076	35%	0.345	C	S	.	.			trans	-59.2	-33.6	174.5	-62.6	121.3	0	0	0	112.9	L10 R12 F21 I43 A44 S79 L82	L10-W19 HydrophobicContact CB-CE3 3.64Å; L10-W19 HydrophobicContact CB-CH2 4.33Å; L10-W19 HydrophobicContact CB-CZ3 3.51Å; L10-W19 HydrophobicContact CD2-CB 4.43Å; L10-W19 HydrophobicContact CD2-CE3 4.09Å; L10-W19 WeakPolarHBondContact O-CH2 3.37Å; L10-W19 WeakPolarHBondContact O-CZ3 3.28Å; R12-W19 HydrophobicContact CB-CH2 4.4Å; R12-W19 HydrophobicContact CB-CZ3 4.02Å; R12-W19 HydrophobicContact CG-CE3 4.48Å; R12-W19 HydrophobicContact CG-CH2 3.73Å; R12-W19 HydrophobicContact CG-CZ2 4.29Å; R12-W19 HydrophobicContact CG-CZ3 3.81Å; W19-F21 HydrophobicContact CB-CD1 3.59Å; W19-F21 HydrophobicContact CB-CE1 3.41Å; W19-F21 VanDerWaalsContact CB-CE1 3.41Å; W19-F21 HydrophobicContact CB-CZ 4.48Å; W19-F21 AromaticContact CG-CE1 3.89Å; W19-F21 HydrophobicContact CG-CE1 3.89Å; W19-I43 HydrophobicContact CE3-CB 4.48Å; W19-I43 HydrophobicContact CE3-CD1 4.24Å; W19-I43 HydrophobicContact CE3-CG2 4.09Å; W19-I43 HydrophobicContact CZ3-CG2 4.24Å; W19-A44 VanDerWaalsContact O-CB 3.28Å; W19-A44 WeakPolarHBondContact O-CB 3.46Å; W19-A44 PolarHBondContact O-N 3.06Å; W19-S79 VanDerWaalsContact CZ2-O 3.3Å; W19-S79 WeakPolarHBondContact CZ2-O 3.37Å; W19-L82 HydrophobicContact CD2-CD2 4.14Å; W19-L82 HydrophobicContact CG-CD2 4.29Å; W19-L82 HydrophobicContact CH2-CB 3.8Å; W19-L82 HydrophobicContact CZ2-CB 3.62Å; W19-L82 HydrophobicContact CZ2-CD2 4.34Å; W19-L82 HydrophobicContact CZ3-CB 4.43Å
20	G	96.5	Very high	94.6	Very high	9 Å²	9	65.7 Å²	65.7	9%	0.093	36%	0.355	C	S	.	.			trans	86.1	27.5	175.9	0	0	0	0	0	115.1	P18 N39 S42	P18-G20 PolarHBondContact O-N 3.46Å; G20-N39 WeakPolarHBondContact O-CB 3.42Å; G20-N39 PolarHBondContact O-N 2.96Å; G20-S42 PolarHBondContact O-OG 3.27Å
21	F	97.2	Very high	94.4	Very high	36 Å²	36	69.5 Å²	69.5	16%	0.158	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	162.2	169.2	67.6	-92.2	0	0	0	111.5	L10 W19 L23 I35 H37 V38 A44 L49 I75 L82 L84	L10-F21 HydrophobicContact CD2-CD1 4.25Å; L10-F21 HydrophobicContact CD2-CE1 4.17Å; W19-F21 HydrophobicContact CB-CD1 3.59Å; W19-F21 HydrophobicContact CB-CE1 3.41Å; W19-F21 VanDerWaalsContact CB-CE1 3.41Å; W19-F21 HydrophobicContact CB-CZ 4.48Å; W19-F21 AromaticContact CG-CE1 3.89Å; W19-F21 HydrophobicContact CG-CE1 3.89Å; F21-L23 HydrophobicContact CE2-CB 4.46Å; F21-L23 HydrophobicContact CE2-CD1 4.34Å; F21-I35 HydrophobicContact CB-CG2 4.35Å; F21-I35 HydrophobicContact CD2-CD1 3.91Å; F21-I35 HydrophobicContact CE2-CD1 4.27Å; F21-H37 CarbonylContact C-O 3.46Å; F21-H37 WeakPolarHBondContact CA-O 3.42Å; F21-V38 HydrophobicContact CB-CG2 4.18Å; F21-A44 HydrophobicContact CB-CB 4.01Å; F21-A44 HydrophobicContact CD1-CB 3.92Å; F21-A44 HydrophobicContact CG-CB 4.45Å; F21-L49 HydrophobicContact CB-CD2 3.8Å; F21-L49 HydrophobicContact CD1-CD2 3.87Å; F21-L49 HydrophobicContact CD2-CD2 4.35Å; F21-L49 HydrophobicContact CG-CD2 3.75Å; F21-I75 HydrophobicContact CE2-CD1 4.08Å; F21-I75 HydrophobicContact CZ-CD1 4Å; F21-I75 HydrophobicContact CZ-CG2 4.27Å; F21-L82 HydrophobicContact CE1-CD2 3.87Å; F21-L82 HydrophobicContact CZ-CD2 3.94Å; F21-L84 HydrophobicContact CZ-CD1 4.35Å
22	R	96.5	Very high	94.3	Very high	155 Å²	155	67.8 Å²	67.8	59%	0.585	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.4	172.1	-175.4	175.9	-76.1	-136.9	2.2	109.7	Q36 H37	R22-Q36 HydrophobicContact CB-CB 4.42Å; R22-Q36 HydrophobicContact CG-CB 4.34Å; R22-Q36 PolarHBondContact O-N 3.36Å; R22-H37 HydrophobicContact CB-CB 4.11Å; R22-H37 PolarHBondContact N-O 3.01Å
23	L	95.7	Very high	94.4	Very high	24 Å²	24	66.1 Å²	66.1	13%	0.126	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.9	175.9	-161.4	74.1	0	0	0	109.9	F21 I33 I35 V55 A71 I75	F21-L23 HydrophobicContact CE2-CB 4.46Å; F21-L23 HydrophobicContact CE2-CD1 4.34Å; L23-I33 HydrophobicContact CD1-CG2 3.32Å; L23-I33 HydrophobicContact CD2-CG2 3.87Å; L23-I33 HydrophobicContact CG-CG2 3.64Å; L23-I35 HydrophobicContact CD1-CD1 3.98Å; L23-V55 HydrophobicContact CD1-CG2 4.24Å; L23-A71 HydrophobicContact CD2-CB 3.78Å; L23-I75 HydrophobicContact CD1-CD1 4.44Å; L23-I75 HydrophobicContact CD2-CD1 3.87Å
24	E	95.2	Very high	94.5	Very high	77 Å²	77	57.9 Å²	57.9	36%	0.36	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.4	173.6	-167.9	178.6	-171	0	0	109.8	I33 T34 Q36	E24-I33 CarbonylContact O-C 3.54Å; E24-I33 VanDerWaalsContact O-CA 3.29Å; E24-I33 WeakPolarHBondContact O-CA 3.47Å; E24-T34 PolarHBondContact N-O 2.89Å; E24-T34 PolarHBondContact O-N 3.27Å; E24-Q36 HydrophobicContact CB-CB 4.05Å; E24-Q36 PolarHBondContact OE1-NE2 3.45Å; E24-Q36 WeakPolarHBondContact OE2-CG 3.47Å; E24-Q36 PolarHBondContact OE2-NE2 3.47Å
25	G	95.2	Very high	94.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.6	-176.6	176.4	0	0	0	0	0	115.3	H31 H68	G25-H31 WeakPolarHBondContact CA-CE1 3.42Å; G25-H31 WeakPolarHBondContact CA-ND1 3.48Å; G25-H31 PolarHBondContact N-CE1 3.4Å; G25-H68 VanDerWaalsContact O-CB 3.23Å; G25-H68 WeakPolarHBondContact O-CB 3.48Å; G25-H68 PolarHBondContact O-ND1 3.12Å
26	G	95.3	Very high	94.9	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.9	161.3	-166.6	0	0	0	0	0	110.2	D28 F29 G30 H31	G26-D28 WeakPolarHBondContact CA-OD1 3.46Å; G26-D28 PolarHBondContact O-N 2.97Å; G26-D28 VanDerWaalsContact O-N 3.15Å; G26-F29 PolarHBondContact O-N 3.05Å; G26-G30 PolarHBondContact O-N 3.16Å; G26-H31 CarbonylContact C-O 3.56Å; G26-H31 PolarHBondContact N-O 3.31Å; G26-H31 VanDerWaalsContact O-O 3.05Å
27	T	94	Very high	95.1	Very high	65 Å²	65	55.3 Å²	55.3	40%	0.399	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.7	177.9	49.3	0	0	0	0	113.5	W65 M66 R67	T27-W65 WeakPolarHBondContact CG2-O 3.24Å; T27-M66 PolarHBondContact N-O 3.43Å; T27-M66 PolarHBondContact OG1-O 2.86Å; T27-R67 WeakPolarHBondContact OG1-CG 3.45Å; T27-R67 PolarHBondContact OG1-N 2.96Å
28	D	95.4	Very high	95.3	Very high	85 Å²	85	52.9 Å²	52.9	46%	0.455	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.7	173.5	54.2	-36.4	0	0	0	114.1	G26 R67 H68	G26-D28 WeakPolarHBondContact CA-OD1 3.46Å; G26-D28 PolarHBondContact O-N 2.97Å; G26-D28 VanDerWaalsContact O-N 3.15Å; D28-R67 WeakPolarHBondContact OD1-CA 3.39Å; D28-H68 PolarHBondContact OD1-N 3.4Å
29	F	93.7	Very high	95.5	Very high	119 Å²	119	52.2 Å²	52.2	52%	0.522	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.1	175.5	-70.4	-91.1	0	0	0	113.1	G26 H31 H68	G26-F29 PolarHBondContact O-N 3.05Å; F29-H31 VanDerWaalsContact C-N 3.32Å; F29-H31 PolarHBondContact O-N 3.2Å; F29-H68 HydrophobicContact CD2-CB 3.68Å; F29-H68 HydrophobicContact CE2-CB 3.31Å; F29-H68 AromaticContact CE2-CG 3.59Å; F29-H68 HydrophobicContact CZ-CB 4.45Å
30	G	92.9	Very high	95.4	Very high	71 Å²	71	56.7 Å²	56.7	73%	0.732	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	9.5	179.2	0	0	0	0	0	114.8	G26	G26-G30 PolarHBondContact O-N 3.16Å
31	H	92.7	Very high	95.4	Very high	79 Å²	79	58.3 Å²	58.3	37%	0.366	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.3	174.7	66.8	83.4	0	0	0	112	G25 G26 F29	G25-H31 WeakPolarHBondContact CA-CE1 3.42Å; G25-H31 WeakPolarHBondContact CA-ND1 3.48Å; G25-H31 PolarHBondContact N-CE1 3.4Å; G26-H31 CarbonylContact C-O 3.56Å; G26-H31 PolarHBondContact N-O 3.31Å; G26-H31 VanDerWaalsContact O-O 3.05Å; F29-H31 VanDerWaalsContact C-N 3.32Å; F29-H31 PolarHBondContact O-N 3.2Å
32	S	94.2	Very high	95.4	Very high	66 Å²	66	57.4 Å²	57.4	46%	0.462	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	154.4	179.4	64.1	0	0	0	0	111.8	T34 H54	S32-T34 PolarHBondContact O-N 3.44Å; S32-H54 PolarHBondContact OG-ND1 3.03Å; S32-H54 VanDerWaalsContact OG-ND1 3.12Å
33	I	96.3	Very high	95.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.7	174.2	-66.7	162.7	0	0	0	109.7	L23 E24 V55 T63 M66 A71	L23-I33 HydrophobicContact CD1-CG2 3.32Å; L23-I33 HydrophobicContact CD2-CG2 3.87Å; L23-I33 HydrophobicContact CG-CG2 3.64Å; E24-I33 CarbonylContact O-C 3.54Å; E24-I33 VanDerWaalsContact O-CA 3.29Å; E24-I33 WeakPolarHBondContact O-CA 3.47Å; I33-V55 HydrophobicContact CB-CB 4.41Å; I33-V55 HydrophobicContact CG2-CB 3.94Å; I33-V55 HydrophobicContact CG2-CG2 4.13Å; I33-V55 PolarHBondContact O-N 3.16Å; I33-T63 HydrophobicContact CD1-CG2 4.32Å; I33-M66 HydrophobicContact CD1-CB 4.04Å; I33-M66 HydrophobicContact CD1-CE 3.79Å; I33-M66 HydrophobicContact CD1-CG 4.41Å; I33-A71 HydrophobicContact CD1-CB 3.48Å; I33-A71 VanDerWaalsContact CD1-CB 3.48Å; I33-A71 HydrophobicContact CG1-CB 4.42Å
34	T	96	Very high	95.4	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.4	-177.1	53.5	0	0	0	0	111.3	E24 S32 D53	E24-T34 PolarHBondContact N-O 2.89Å; E24-T34 PolarHBondContact O-N 3.27Å; S32-T34 PolarHBondContact O-N 3.44Å; T34-D53 WeakPolarHBondContact CA-O 3.17Å
35	I	96.2	Very high	95.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.1	170.3	-54.1	-56	0	0	0	108.9	F21 L23 V38 L49 R50 A51 G52 D53 V55	F21-I35 HydrophobicContact CB-CG2 4.35Å; F21-I35 HydrophobicContact CD2-CD1 3.91Å; F21-I35 HydrophobicContact CE2-CD1 4.27Å; L23-I35 HydrophobicContact CD1-CD1 3.98Å; I35-V38 HydrophobicContact CG2-CG2 3.59Å; I35-L49 HydrophobicContact CD1-CD1 4.4Å; I35-L49 HydrophobicContact CD1-CD2 3.94Å; I35-L49 HydrophobicContact CD1-CG 4.45Å; I35-L49 HydrophobicContact CG1-CD1 3.97Å; I35-L49 HydrophobicContact CG1-CD2 4.08Å; I35-L49 HydrophobicContact CG1-CG 4.05Å; I35-L49 HydrophobicContact CG2-CD2 4.22Å; I35-L49 HydrophobicContact CG2-CG 4.32Å; I35-R50 WeakPolarHBondContact CB-O 3.46Å; I35-R50 WeakPolarHBondContact CG2-O 3.34Å; I35-A51 CarbonylContact O-C 3.53Å; I35-A51 WeakPolarHBondContact O-CA 3.5Å; I35-G52 PolarHBondContact O-N 3.18Å; I35-D53 HydrophobicContact CB-CB 4.41Å; I35-D53 HydrophobicContact CG1-CB 4.06Å; I35-D53 PolarHBondContact N-O 3.26Å; I35-V55 HydrophobicContact CD1-CG2 3.67Å; I35-V55 HydrophobicContact CG1-CG2 4.02Å
36	Q	95.3	Very high	95.6	Very high	85 Å²	85	59 Å²	59	40%	0.397	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-40.9	179.3	-176.2	178.3	70.4	0	0	111.9	R22 E24 A51	R22-Q36 HydrophobicContact CB-CB 4.42Å; R22-Q36 HydrophobicContact CG-CB 4.34Å; R22-Q36 PolarHBondContact O-N 3.36Å; E24-Q36 HydrophobicContact CB-CB 4.05Å; E24-Q36 PolarHBondContact OE1-NE2 3.45Å; E24-Q36 WeakPolarHBondContact OE2-CG 3.47Å; E24-Q36 PolarHBondContact OE2-NE2 3.47Å; Q36-A51 WeakPolarHBondContact O-CB 2.95Å
37	H	95.7	Very high	95.6	Very high	88 Å²	88	60.8 Å²	60.8	41%	0.407	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147.8	-174.8	-173.8	-96.6	0	0	0	111.1	F21 R22 N39	F21-H37 CarbonylContact C-O 3.46Å; F21-H37 WeakPolarHBondContact CA-O 3.42Å; R22-H37 HydrophobicContact CB-CB 4.11Å; R22-H37 PolarHBondContact N-O 3.01Å; H37-N39 PolarHBondContact CE1-OD1 2.66Å; H37-N39 PolarHBondContact ND1-OD1 2.92Å
38	V	97.3	Very high	95.6	Very high	20 Å²	20	59.2 Å²	59.2	12%	0.121	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.2	171.8	-179.7	0	0	0	0	107.9	F21 I35 A44 D45 L49	F21-V38 HydrophobicContact CB-CG2 4.18Å; I35-V38 HydrophobicContact CG2-CG2 3.59Å; V38-A44 HydrophobicContact CG1-CB 3.83Å; V38-D45 HydrophobicContact CG1-CB 3.96Å; V38-L49 HydrophobicContact CG2-CB 4.38Å; V38-L49 HydrophobicContact CG2-CD2 4.35Å; V38-L49 HydrophobicContact CG2-CG 4.26Å
39	N	97	Very high	95.6	Very high	80 Å²	80	55.3 Å²	55.3	43%	0.428	32%	0.321	S	S	.	.			trans	-75.6	126.8	-179.4	-69.6	1.1	0	0	0	109.4	G20 H37 G41 S42	G20-N39 WeakPolarHBondContact O-CB 3.42Å; G20-N39 PolarHBondContact O-N 2.96Å; H37-N39 PolarHBondContact CE1-OD1 2.66Å; H37-N39 PolarHBondContact ND1-OD1 2.92Å; N39-G41 PolarHBondContact O-N 3.31Å; N39-S42 VanDerWaalsContact O-CB 3.25Å; N39-S42 WeakPolarHBondContact O-CB 3.28Å; N39-S42 PolarHBondContact O-N 2.77Å; N39-S42 PolarHBondContact O-OG 3.49Å
40	P	96.2	Very high	95.6	Very high	115 Å²	115	56.9 Å²	56.9	75%	0.747	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	136.4	175.8	-24.6	34.1	0	0	0	112	S42 D45	P40-S42 VanDerWaalsContact C-N 3.26Å; P40-S42 PolarHBondContact O-N 2.78Å; P40-D45 WeakPolarHBondContact CA-OD2 3.19Å
41	G	95.3	Very high	95.7	Very high	43 Å²	43	56.4 Å²	56.4	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	12.3	-179.5	0	0	0	0	0	115	N39 D45 Y46	N39-G41 PolarHBondContact O-N 3.31Å; G41-D45 PolarHBondContact N-OD2 2.8Å; G41-Y46 WeakPolarHBondContact O-CE2 3.41Å
42	S	96.6	Very high	95.7	Very high	17 Å²	17	53.4 Å²	53.4	12%	0.119	30%	0.302	C	S	.	.	S	Bend	trans	-88.6	170	172.1	70.3	0	0	0	0	112.5	G20 N39 P40 A44 D45 Y46	G20-S42 PolarHBondContact O-OG 3.27Å; N39-S42 VanDerWaalsContact O-CB 3.25Å; N39-S42 WeakPolarHBondContact O-CB 3.28Å; N39-S42 PolarHBondContact O-N 2.77Å; N39-S42 PolarHBondContact O-OG 3.49Å; P40-S42 VanDerWaalsContact C-N 3.26Å; P40-S42 PolarHBondContact O-N 2.78Å; S42-A44 PolarHBondContact O-N 2.93Å; S42-D45 WeakPolarHBondContact O-CB 3.21Å; S42-D45 PolarHBondContact O-N 3.3Å; S42-D45 VanDerWaalsContact O-N 3.16Å; S42-D45 PolarHBondContact OG-N 3Å; S42-Y46 WeakPolarHBondContact O-CD2 3.27Å; S42-Y46 PolarHBondContact O-N 2.88Å
43	I	96.4	Very high	95.7	Very high	31 Å²	31	50.4 Å²	50.4	16%	0.159	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-40.4	175.9	-61.7	151.7	0	0	0	110.6	L10 R12 I17 W19 D45 Y46 S47	L10-I43 HydrophobicContact CB-CG2 3.93Å; L10-I43 HydrophobicContact CD2-CG2 4.33Å; L10-I43 HydrophobicContact CG-CG2 4.46Å; R12-I43 HydrophobicContact CB-CD1 3.59Å; I17-I43 HydrophobicContact CG2-CD1 3.69Å; W19-I43 HydrophobicContact CE3-CB 4.48Å; W19-I43 HydrophobicContact CE3-CD1 4.24Å; W19-I43 HydrophobicContact CE3-CG2 4.09Å; W19-I43 HydrophobicContact CZ3-CG2 4.24Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.14Å; I43-Y46 PolarHBondContact O-N 3.46Å; I43-S47 WeakPolarHBondContact O-CB 3.43Å; I43-S47 PolarHBondContact O-N 3.35Å; I43-S47 PolarHBondContact O-OG 3.08Å
44	A	97.2	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-40.6	177.9	0	0	0	0	0	113.3	L10 W19 F21 V38 S42 S47 G48 L49	L10-A44 HydrophobicContact CD2-CB 3.8Å; W19-A44 VanDerWaalsContact O-CB 3.28Å; W19-A44 WeakPolarHBondContact O-CB 3.46Å; W19-A44 PolarHBondContact O-N 3.06Å; F21-A44 HydrophobicContact CB-CB 4.01Å; F21-A44 HydrophobicContact CD1-CB 3.92Å; F21-A44 HydrophobicContact CG-CB 4.45Å; V38-A44 HydrophobicContact CG1-CB 3.83Å; S42-A44 PolarHBondContact O-N 2.93Å; A44-S47 PolarHBondContact O-N 3.37Å; A44-G48 PolarHBondContact O-N 3.31Å; A44-L49 HydrophobicContact CB-CB 4.24Å; A44-L49 HydrophobicContact CB-CD2 4.02Å; A44-L49 VanDerWaalsContact O-CB 3.28Å; A44-L49 WeakPolarHBondContact O-CB 3.47Å; A44-L49 PolarHBondContact O-N 2.83Å
45	D	96.9	Very high	95.7	Very high	71 Å²	71	52.5 Å²	52.5	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-47.7	176.6	-170.6	33.5	0	0	0	110.7	V38 P40 G41 S42 I43 S47 G48	V38-D45 HydrophobicContact CG1-CB 3.96Å; P40-D45 WeakPolarHBondContact CA-OD2 3.19Å; G41-D45 PolarHBondContact N-OD2 2.8Å; S42-D45 WeakPolarHBondContact O-CB 3.21Å; S42-D45 PolarHBondContact O-N 3.3Å; S42-D45 VanDerWaalsContact O-N 3.16Å; S42-D45 PolarHBondContact OG-N 3Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.14Å; D45-S47 VanDerWaalsContact C-N 3.31Å; D45-S47 PolarHBondContact O-N 2.99Å; D45-G48 PolarHBondContact O-N 2.8Å
46	Y	96.4	Very high	95.6	Very high	187 Å²	187	55 Å²	55	73%	0.733	31%	0.305	S	S	*	.	H	α-helix	trans	-64.7	-30.8	176.9	-65.8	-54.9	0	0	0	113.8	G41 S42 I43 G48	G41-Y46 WeakPolarHBondContact O-CE2 3.41Å; S42-Y46 WeakPolarHBondContact O-CD2 3.27Å; S42-Y46 PolarHBondContact O-N 2.88Å; I43-Y46 PolarHBondContact O-N 3.46Å; Y46-G48 PolarHBondContact O-N 3.32Å
47	S	95.2	Very high	95.7	Very high	41 Å²	41	55.6 Å²	55.6	29%	0.287	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.8	174.3	-70.1	0	0	0	0	113.3	I8 R9 I43 A44 D45	I8-S47 WeakPolarHBondContact CG2-O 3.42Å; R9-S47 PolarHBondContact O-OG 2.98Å; I43-S47 WeakPolarHBondContact O-CB 3.43Å; I43-S47 PolarHBondContact O-N 3.35Å; I43-S47 PolarHBondContact O-OG 3.08Å; A44-S47 PolarHBondContact O-N 3.37Å; D45-S47 VanDerWaalsContact C-N 3.31Å; D45-S47 PolarHBondContact O-N 2.99Å
48	G	94.3	Very high	95.7	Very high	32 Å²	32	51.4 Å²	51.4	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	16.8	176.7	0	0	0	0	0	115.3	A44 D45 Y46 R88	A44-G48 PolarHBondContact O-N 3.31Å; D45-G48 PolarHBondContact O-N 2.8Å; Y46-G48 PolarHBondContact O-N 3.32Å; G48-R88 PolarHBondContact O-NH2 3.49Å
49	L	95.6	Very high	95.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	29%	0.288	C	S	.	.			trans	-70.4	138.8	173	-163.5	68.7	0	0	0	109.9	I8 F21 I35 V38 A44 L84 V86	I8-L49 HydrophobicContact CD1-CB 4.4Å; I8-L49 HydrophobicContact CD1-CD1 3.71Å; F21-L49 HydrophobicContact CB-CD2 3.8Å; F21-L49 HydrophobicContact CD1-CD2 3.87Å; F21-L49 HydrophobicContact CD2-CD2 4.35Å; F21-L49 HydrophobicContact CG-CD2 3.75Å; I35-L49 HydrophobicContact CD1-CD1 4.4Å; I35-L49 HydrophobicContact CD1-CD2 3.94Å; I35-L49 HydrophobicContact CD1-CG 4.45Å; I35-L49 HydrophobicContact CG1-CD1 3.97Å; I35-L49 HydrophobicContact CG1-CD2 4.08Å; I35-L49 HydrophobicContact CG1-CG 4.05Å; I35-L49 HydrophobicContact CG2-CD2 4.22Å; I35-L49 HydrophobicContact CG2-CG 4.32Å; V38-L49 HydrophobicContact CG2-CB 4.38Å; V38-L49 HydrophobicContact CG2-CD2 4.35Å; V38-L49 HydrophobicContact CG2-CG 4.26Å; A44-L49 HydrophobicContact CB-CB 4.24Å; A44-L49 HydrophobicContact CB-CD2 4.02Å; A44-L49 VanDerWaalsContact O-CB 3.28Å; A44-L49 WeakPolarHBondContact O-CB 3.47Å; A44-L49 PolarHBondContact O-N 2.83Å; L49-L84 HydrophobicContact CD1-CD1 4.05Å; L49-L84 HydrophobicContact CD2-CD1 4.08Å; L49-V86 HydrophobicContact CD1-CG1 4.14Å
50	R	94.5	Very high	95.3	Very high	151 Å²	151	57.1 Å²	57.1	57%	0.57	31%	0.309	S	S	*	.			trans	-128.2	152	-178.5	-62.7	-178	-171.1	-177.6	-0.9	111.3	I35 G52 D53 R88	I35-R50 WeakPolarHBondContact CB-O 3.46Å; I35-R50 WeakPolarHBondContact CG2-O 3.34Å; R50-G52 PolarHBondContact O-N 2.92Å; R50-D53 PolarHBondContact N-OD2 2.8Å; R50-D53 WeakPolarHBondContact O-CB 3.16Å; R50-D53 PolarHBondContact O-N 2.94Å; R50-R88 VanDerWaalsContact CD-CZ 3.46Å
51	A	93.9	Very high	95.2	Very high	61 Å²	61	53.6 Å²	53.6	50%	0.504	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	136.6	167.3	0	0	0	0	0	109.8	I35 Q36	I35-A51 CarbonylContact O-C 3.53Å; I35-A51 WeakPolarHBondContact O-CA 3.5Å; Q36-A51 WeakPolarHBondContact O-CB 2.95Å
52	G	92.7	Very high	95.2	Very high	16 Å²	16	58.2 Å²	58.2	17%	0.165	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-8.8	-174.4	0	0	0	0	0	115.2	I35 R50 H54 Y95	I35-G52 PolarHBondContact O-N 3.18Å; R50-G52 PolarHBondContact O-N 2.92Å; G52-H54 PolarHBondContact O-CD2 2.91Å; G52-H54 PolarHBondContact O-N 2.77Å; G52-Y95 PolarHBondContact O-OH 2.72Å
53	D	94.7	Very high	95.1	Very high	3 Å²	3	58 Å²	58	2%	0.016	29%	0.294	C	S	.	.			trans	-63.9	126.5	175.2	-75.3	-17.6	0	0	0	110.2	T34 I35 R50 V86 R88	T34-D53 WeakPolarHBondContact CA-O 3.17Å; I35-D53 HydrophobicContact CB-CB 4.41Å; I35-D53 HydrophobicContact CG1-CB 4.06Å; I35-D53 PolarHBondContact N-O 3.26Å; R50-D53 PolarHBondContact N-OD2 2.8Å; R50-D53 WeakPolarHBondContact O-CB 3.16Å; R50-D53 PolarHBondContact O-N 2.94Å; D53-V86 HydrophobicContact CB-CB 3.99Å; D53-V86 HydrophobicContact CB-CG1 4.28Å; D53-V86 HydrophobicContact CB-CG2 4.07Å; D53-R88 IonicContact OD1-CZ 3.47Å; D53-R88 IonicContact OD1-NE 2.79Å; D53-R88 PolarHBondContact OD1-NE 3.01Å; D53-R88 IonicContact OD1-NH2 3.3Å; D53-R88 PolarHBondContact OD1-NH2 2.93Å; D53-R88 IonicContact OD2-CZ 3.72Å; D53-R88 IonicContact OD2-NE 3.81Å; D53-R88 IonicContact OD2-NH2 2.78Å; D53-R88 PolarHBondContact OD2-NH2 3.42Å
54	H	95.2	Very high	94.9	Very high	54 Å²	54	63.5 Å²	63.5	25%	0.25	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.4	176	-73	-97.7	0	0	0	109.6	S32 G52 V56 V86 Q87	S32-H54 PolarHBondContact OG-ND1 3.03Å; S32-H54 VanDerWaalsContact OG-ND1 3.12Å; G52-H54 PolarHBondContact O-CD2 2.91Å; G52-H54 PolarHBondContact O-N 2.77Å; H54-V56 PolarHBondContact O-N 2.81Å; H54-V86 CarbonylContact O-C 3.58Å; H54-V86 WeakPolarHBondContact O-CA 3.34Å; H54-Q87 HydrophobicContact CB-CB 4.29Å; H54-Q87 PolarHBondContact N-O 2.89Å; H54-Q87 PolarHBondContact O-N 2.87Å
55	V	96.1	Very high	94.7	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.4	-178.6	-171.1	0	0	0	0	108.7	L23 I33 I35 I58 T63 L84 V86	L23-V55 HydrophobicContact CD1-CG2 4.24Å; I33-V55 HydrophobicContact CB-CB 4.41Å; I33-V55 HydrophobicContact CG2-CB 3.94Å; I33-V55 HydrophobicContact CG2-CG2 4.13Å; I33-V55 PolarHBondContact O-N 3.16Å; I35-V55 HydrophobicContact CD1-CG2 3.67Å; I35-V55 HydrophobicContact CG1-CG2 4.02Å; V55-I58 HydrophobicContact CG1-CD1 4.39Å; V55-I58 HydrophobicContact CG1-CG1 3.76Å; V55-T63 HydrophobicContact CG1-CG2 3.88Å; V55-T63 WeakPolarHBondContact O-CB 3.36Å; V55-T63 PolarHBondContact O-OG1 3.27Å; V55-L84 HydrophobicContact CG1-CD2 4.22Å; V55-V86 HydrophobicContact CG2-CG1 4.25Å
56	V	95.4	Very high	94.5	Very high	53 Å²	53	70.5 Å²	70.5	32%	0.321	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-31.4	-179.2	-177.9	0	0	0	0	111.4	H54 T63 F85 Q87	H54-V56 PolarHBondContact O-N 2.81Å; V56-T63 VanDerWaalsContact CA-OG1 3.3Å; V56-T63 WeakPolarHBondContact CA-OG1 3.34Å; V56-T63 PolarHBondContact O-N 3.33Å; V56-T63 PolarHBondContact O-OG1 3.48Å; V56-F85 HydrophobicContact CB-CD1 4.16Å; V56-F85 HydrophobicContact CG1-CD1 4.43Å; V56-F85 PolarHBondContact N-O 2.82Å; V56-Q87 HydrophobicContact CG2-CB 3.9Å
57	R	96.1	Very high	94.5	Very high	99 Å²	99	68.9 Å²	68.9	37%	0.374	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.1	177.4	-157.3	170.6	62.3	-175	-2.7	111.2	N59 S61 F85	R57-N59 WeakPolarHBondContact CG-O 3.39Å; R57-N59 PolarHBondContact NE-O 3.36Å; R57-N59 VanDerWaalsContact NE-O 3.12Å; R57-S61 WeakPolarHBondContact CA-O 3.4Å; R57-S61 WeakPolarHBondContact CG-O 3.37Å; R57-F85 HydrophobicContact CB-CB 3.71Å; R57-F85 PolarHBondContact N-O 3.48Å; R57-F85 PolarHBondContact O-N 2.85Å
58	I	96.5	Very high	94.6	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.4	169.7	-57.8	-179.9	0	0	0	106.7	V55 Q60 S61 T63 M66 A71 E74 I75 L82 L84	V55-I58 HydrophobicContact CG1-CD1 4.39Å; V55-I58 HydrophobicContact CG1-CG1 3.76Å; I58-Q60 PolarHBondContact O-N 2.89Å; I58-Q60 VanDerWaalsContact O-N 3.12Å; I58-S61 PolarHBondContact N-O 2.75Å; I58-S61 WeakPolarHBondContact O-CB 3.36Å; I58-S61 PolarHBondContact O-N 2.79Å; I58-T63 HydrophobicContact CD1-CG2 4.1Å; I58-T63 HydrophobicContact CG1-CG2 3.66Å; I58-M66 HydrophobicContact CB-CE 4.47Å; I58-M66 HydrophobicContact CD1-CE 3.47Å; I58-M66 VanDerWaalsContact CD1-CE 3.47Å; I58-M66 HydrophobicContact CG1-CE 4.01Å; I58-A71 HydrophobicContact CD1-CB 4.07Å; I58-E74 HydrophobicContact CB-CG 4.19Å; I58-E74 HydrophobicContact CG2-CB 4.2Å; I58-E74 HydrophobicContact CG2-CG 3.77Å; I58-I75 HydrophobicContact CD1-CD1 4.07Å; I58-I75 HydrophobicContact CD1-CG1 4.01Å; I58-I75 HydrophobicContact CG2-CG1 4.05Å; I58-L82 HydrophobicContact CG2-CD1 3.86Å; I58-L84 HydrophobicContact CB-CD2 4.32Å; I58-L84 HydrophobicContact CG1-CD2 3.87Å; I58-L84 HydrophobicContact CG2-CD2 4.1Å
59	N	94.3	Very high	94.7	Very high	35 Å²	35	71.7 Å²	71.7	19%	0.187	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	-112.2	-168.3	-55.3	-39	0	0	0	111.7	R57 S78 E83	R57-N59 WeakPolarHBondContact CG-O 3.39Å; R57-N59 PolarHBondContact NE-O 3.36Å; R57-N59 VanDerWaalsContact NE-O 3.12Å; N59-S78 PolarHBondContact ND2-OG 3.43Å; N59-E83 PolarHBondContact N-O 2.7Å; N59-E83 PolarHBondContact OD1-N 3.4Å; N59-E83 PolarHBondContact OD1-O 3.5Å
60	Q	91.9	Very high	94.7	Very high	185 Å²	185	75.1 Å²	75.1	86%	0.864	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.8	-179.3	-58.8	-179.6	46.9	0	0	112.5	I58	I58-Q60 PolarHBondContact O-N 2.89Å; I58-Q60 VanDerWaalsContact O-N 3.12Å
61	S	94.2	Very high	94.8	Very high	41 Å²	41	67.9 Å²	67.9	29%	0.287	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.7	-171.2	-59.8	0	0	0	0	111.3	R57 I58 E74	R57-S61 WeakPolarHBondContact CA-O 3.4Å; R57-S61 WeakPolarHBondContact CG-O 3.37Å; I58-S61 PolarHBondContact N-O 2.75Å; I58-S61 WeakPolarHBondContact O-CB 3.36Å; I58-S61 PolarHBondContact O-N 2.79Å; S61-E74 PolarHBondContact OG-OE1 3.44Å
62	E	94.7	Very high	94.8	Very high	140 Å²	140	69.9 Å²	69.9	65%	0.654	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.6	176.8	-69.8	-173.7	-170.3	0	0	112
63	T	95	Very high	94.9	Very high	11 Å²	11	70.4 Å²	70.4	7%	0.067	32%	0.322	C	S	.	.			trans	-90.6	-10.9	-175.3	62.8	0	0	0	0	114.3	I33 V55 V56 I58 W65 M66	I33-T63 HydrophobicContact CD1-CG2 4.32Å; V55-T63 HydrophobicContact CG1-CG2 3.88Å; V55-T63 WeakPolarHBondContact O-CB 3.36Å; V55-T63 PolarHBondContact O-OG1 3.27Å; V56-T63 VanDerWaalsContact CA-OG1 3.3Å; V56-T63 WeakPolarHBondContact CA-OG1 3.34Å; V56-T63 PolarHBondContact O-N 3.33Å; V56-T63 PolarHBondContact O-OG1 3.48Å; I58-T63 HydrophobicContact CD1-CG2 4.1Å; I58-T63 HydrophobicContact CG1-CG2 3.66Å; T63-W65 PolarHBondContact O-N 2.8Å; T63-W65 VanDerWaalsContact O-N 3.09Å; T63-M66 HydrophobicContact CG2-CE 3.33Å; T63-M66 WeakPolarHBondContact O-CB 3.3Å; T63-M66 PolarHBondContact O-N 2.94Å
64	K	92.1	Very high	95	Very high	147 Å²	147	71.7 Å²	71.7	64%	0.639	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.9	-171.9	-175.9	175.5	179	178.5	0	113.5
65	W	92.7	Very high	95	Very high	198 Å²	198	69.9 Å²	69.9	75%	0.75	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	9.4	-178.3	-54.2	110.3	0	0	0	113.2	T27 T63	T27-W65 WeakPolarHBondContact CG2-O 3.24Å; T63-W65 PolarHBondContact O-N 2.8Å; T63-W65 VanDerWaalsContact O-N 3.09Å
66	M	93.9	Very high	94.8	Very high	20 Å²	20	73.4 Å²	73.4	10%	0.099	34%	0.337	C	S	.	.			trans	-83.6	135.1	-173.3	-166.4	159.1	58.5	0	0	110.8	T27 I33 I58 T63 D70 A71	T27-M66 PolarHBondContact N-O 3.43Å; T27-M66 PolarHBondContact OG1-O 2.86Å; I33-M66 HydrophobicContact CD1-CB 4.04Å; I33-M66 HydrophobicContact CD1-CE 3.79Å; I33-M66 HydrophobicContact CD1-CG 4.41Å; I58-M66 HydrophobicContact CB-CE 4.47Å; I58-M66 HydrophobicContact CD1-CE 3.47Å; I58-M66 VanDerWaalsContact CD1-CE 3.47Å; I58-M66 HydrophobicContact CG1-CE 4.01Å; T63-M66 HydrophobicContact CG2-CE 3.33Å; T63-M66 WeakPolarHBondContact O-CB 3.3Å; T63-M66 PolarHBondContact O-N 2.94Å; M66-D70 HydrophobicContact CG-CB 3.51Å; M66-D70 HydrophobicContact SD-CB 4.33Å; M66-A71 HydrophobicContact CE-CB 3.51Å; M66-A71 HydrophobicContact CG-CB 4.11Å; M66-A71 HydrophobicContact SD-CB 4.11Å
67	R	96.3	Very high	94.7	Very high	153 Å²	153	77.9 Å²	77.9	58%	0.577	35%	0.349	S	S	*	.			trans	-72.6	159.7	169.7	-61.9	177	170.2	-141.5	-3.2	109.7	T27 D28 D69 D70 A71	T27-R67 WeakPolarHBondContact OG1-CG 3.45Å; T27-R67 PolarHBondContact OG1-N 2.96Å; D28-R67 WeakPolarHBondContact OD1-CA 3.39Å; R67-D69 VanDerWaalsContact C-N 3.3Å; R67-D69 PolarHBondContact O-N 2.9Å; R67-D70 HydrophobicContact CB-CB 4.34Å; R67-D70 WeakPolarHBondContact CB-OD2 3.3Å; R67-D70 PolarHBondContact O-N 2.84Å; R67-A71 PolarHBondContact O-N 3.16Å
68	H	96	Very high	94.6	Very high	46 Å²	46	74 Å²	74	21%	0.213	34%	0.336	C	S	.	.	H	α-helix	trans	-56.3	-45.1	176.7	-175.6	80.9	0	0	0	112.5	G25 D28 F29 A71 K72	G25-H68 VanDerWaalsContact O-CB 3.23Å; G25-H68 WeakPolarHBondContact O-CB 3.48Å; G25-H68 PolarHBondContact O-ND1 3.12Å; D28-H68 PolarHBondContact OD1-N 3.4Å; F29-H68 HydrophobicContact CD2-CB 3.68Å; F29-H68 HydrophobicContact CE2-CB 3.31Å; F29-H68 AromaticContact CE2-CG 3.59Å; F29-H68 HydrophobicContact CZ-CB 4.45Å; H68-A71 WeakPolarHBondContact O-CB 3.46Å; H68-A71 PolarHBondContact O-N 2.87Å; H68-K72 WeakPolarHBondContact O-CB 3.39Å; H68-K72 PolarHBondContact O-N 3.21Å
69	D	96	Very high	94.4	Very high	86 Å²	86	76.8 Å²	76.8	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-67.9	-37.1	180	-163	64.8	0	0	0	111.6	R67 A71 K72 M73	R67-D69 VanDerWaalsContact C-N 3.3Å; R67-D69 PolarHBondContact O-N 2.9Å; D69-A71 VanDerWaalsContact C-N 3.33Å; D69-A71 PolarHBondContact O-N 3.34Å; D69-K72 PolarHBondContact O-N 3.03Å; D69-K72 IonicContact OD1-NZ 3.59Å; D69-M73 WeakPolarHBondContact O-CB 3.48Å; D69-M73 VanDerWaalsContact O-CG 3.22Å; D69-M73 WeakPolarHBondContact O-CG 3.29Å; D69-M73 PolarHBondContact O-N 3.06Å
70	D	96	Very high	94.4	Very high	75 Å²	75	77.9 Å²	77.9	40%	0.401	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-42.2	173.7	-66.2	-36.5	0	0	0	111.3	M66 R67 M73 E74	M66-D70 HydrophobicContact CG-CB 3.51Å; M66-D70 HydrophobicContact SD-CB 4.33Å; R67-D70 HydrophobicContact CB-CB 4.34Å; R67-D70 WeakPolarHBondContact CB-OD2 3.3Å; R67-D70 PolarHBondContact O-N 2.84Å; D70-M73 PolarHBondContact O-N 3.23Å; D70-E74 PolarHBondContact O-N 3.42Å
71	A	96.3	Very high	94.6	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-46.1	176.7	0	0	0	0	0	112.5	L23 I33 I58 M66 R67 H68 D69 M73 E74 I75	L23-A71 HydrophobicContact CD2-CB 3.78Å; I33-A71 HydrophobicContact CD1-CB 3.48Å; I33-A71 VanDerWaalsContact CD1-CB 3.48Å; I33-A71 HydrophobicContact CG1-CB 4.42Å; I58-A71 HydrophobicContact CD1-CB 4.07Å; M66-A71 HydrophobicContact CE-CB 3.51Å; M66-A71 HydrophobicContact CG-CB 4.11Å; M66-A71 HydrophobicContact SD-CB 4.11Å; R67-A71 PolarHBondContact O-N 3.16Å; H68-A71 WeakPolarHBondContact O-CB 3.46Å; H68-A71 PolarHBondContact O-N 2.87Å; D69-A71 VanDerWaalsContact C-N 3.33Å; D69-A71 PolarHBondContact O-N 3.34Å; A71-M73 VanDerWaalsContact C-N 3.32Å; A71-M73 PolarHBondContact O-N 3.36Å; A71-E74 PolarHBondContact O-N 3Å; A71-I75 WeakPolarHBondContact O-CG1 3.37Å; A71-I75 PolarHBondContact O-N 3.41Å; A71-I75 VanDerWaalsContact O-N 3.09Å
72	K	95.3	Very high	94.7	Very high	103 Å²	103	70.3 Å²	70.3	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-44.4	174.2	175	-172.4	168.6	-162.7	0	111	H68 D69 E74 I75 I76	H68-K72 WeakPolarHBondContact O-CB 3.39Å; H68-K72 PolarHBondContact O-N 3.21Å; D69-K72 PolarHBondContact O-N 3.03Å; D69-K72 IonicContact OD1-NZ 3.59Å; K72-E74 VanDerWaalsContact C-N 3.33Å; K72-E74 PolarHBondContact O-N 2.88Å; K72-I75 PolarHBondContact O-N 2.74Å; K72-I76 HydrophobicContact CG-CD1 4Å; K72-I76 VanDerWaalsContact O-CG1 3.27Å; K72-I76 WeakPolarHBondContact O-CG1 3.03Å; K72-I76 PolarHBondContact O-N 3.47Å
73	M	94.9	Very high	94.9	Very high	26 Å²	26	67.1 Å²	67.1	13%	0.128	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-38.4	178.4	-76.5	-61.4	-61.6	0	0	111.9	D69 D70 A71 I76 R77 I283	D69-M73 WeakPolarHBondContact O-CB 3.48Å; D69-M73 VanDerWaalsContact O-CG 3.22Å; D69-M73 WeakPolarHBondContact O-CG 3.29Å; D69-M73 PolarHBondContact O-N 3.06Å; D70-M73 PolarHBondContact O-N 3.23Å; A71-M73 VanDerWaalsContact C-N 3.32Å; A71-M73 PolarHBondContact O-N 3.36Å; M73-I76 PolarHBondContact O-N 2.96Å; M73-I76 HydrophobicContact SD-CD1 4.37Å; M73-R77 WeakPolarHBondContact O-CG 3.23Å; M73-R77 PolarHBondContact O-N 2.9Å; M73-I283 HydrophobicContact CE-CD1 3.65Å; M73-I283 HydrophobicContact CE-CG1 3.72Å; M73-I283 HydrophobicContact SD-CD1 4.22Å; M73-I283 HydrophobicContact SD-CG1 4.13Å
74	E	95.3	Very high	95	Very high	31 Å²	31	66.6 Å²	66.6	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-42	176.4	-165.4	66.6	178.8	0	0	112.5	I58 S61 D70 A71 K72 I76 R77 S78	I58-E74 HydrophobicContact CB-CG 4.19Å; I58-E74 HydrophobicContact CG2-CB 4.2Å; I58-E74 HydrophobicContact CG2-CG 3.77Å; S61-E74 PolarHBondContact OG-OE1 3.44Å; D70-E74 PolarHBondContact O-N 3.42Å; A71-E74 PolarHBondContact O-N 3Å; K72-E74 VanDerWaalsContact C-N 3.33Å; K72-E74 PolarHBondContact O-N 2.88Å; E74-I76 VanDerWaalsContact C-N 3.28Å; E74-I76 PolarHBondContact O-N 2.79Å; E74-R77 PolarHBondContact O-N 3.05Å; E74-R77 IonicContact OE2-CZ 2.8Å; E74-R77 IonicContact OE2-NH1 3.8Å; E74-R77 PolarHBondContact OE2-NH1 3.37Å; E74-S78 PolarHBondContact O-N 2.83Å; E74-S78 VanDerWaalsContact O-N 3.17Å; E74-S78 PolarHBondContact O-OG 3.48Å
75	I	95.5	Very high	95.2	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.077	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-38.5	173.3	-67.8	162.5	0	0	0	111.2	F21 L23 I58 A71 K72 S78 L82	F21-I75 HydrophobicContact CE2-CD1 4.08Å; F21-I75 HydrophobicContact CZ-CD1 4Å; F21-I75 HydrophobicContact CZ-CG2 4.27Å; L23-I75 HydrophobicContact CD1-CD1 4.44Å; L23-I75 HydrophobicContact CD2-CD1 3.87Å; I58-I75 HydrophobicContact CD1-CD1 4.07Å; I58-I75 HydrophobicContact CD1-CG1 4.01Å; I58-I75 HydrophobicContact CG2-CG1 4.05Å; A71-I75 WeakPolarHBondContact O-CG1 3.37Å; A71-I75 PolarHBondContact O-N 3.41Å; A71-I75 VanDerWaalsContact O-N 3.09Å; K72-I75 PolarHBondContact O-N 2.74Å; I75-S78 VanDerWaalsContact O-CB 3.3Å; I75-S78 WeakPolarHBondContact O-CB 3.42Å; I75-S78 PolarHBondContact O-N 2.92Å; I75-L82 HydrophobicContact CB-CD1 4.45Å; I75-L82 HydrophobicContact CG1-CD1 4.1Å; I75-L82 HydrophobicContact CG2-CD1 4.44Å; I75-L82 HydrophobicContact CG2-CD2 3.96Å
76	I	93.6	Very high	95.3	Very high	77 Å²	77	52.9 Å²	52.9	40%	0.395	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-43.1	177.6	-68.4	165.1	0	0	0	110.9	K72 M73 E74 S78 S79	K72-I76 HydrophobicContact CG-CD1 4Å; K72-I76 VanDerWaalsContact O-CG1 3.27Å; K72-I76 WeakPolarHBondContact O-CG1 3.03Å; K72-I76 PolarHBondContact O-N 3.47Å; M73-I76 PolarHBondContact O-N 2.96Å; M73-I76 HydrophobicContact SD-CD1 4.37Å; E74-I76 VanDerWaalsContact C-N 3.28Å; E74-I76 PolarHBondContact O-N 2.79Å; I76-S78 PolarHBondContact O-N 3.01Å; I76-S79 PolarHBondContact O-N 3.05Å
77	R	93.1	Very high	95.3	Very high	148 Å²	148	54.9 Å²	54.9	56%	0.558	26%	0.261	S	S	*	.	H	α-helix	trans	-60	-31.9	178.3	-72.9	175.9	-162.3	124.8	3.3	112.7	M73 E74 S79	M73-R77 WeakPolarHBondContact O-CG 3.23Å; M73-R77 PolarHBondContact O-N 2.9Å; E74-R77 PolarHBondContact O-N 3.05Å; E74-R77 IonicContact OE2-CZ 2.8Å; E74-R77 IonicContact OE2-NH1 3.8Å; E74-R77 PolarHBondContact OE2-NH1 3.37Å; R77-S79 PolarHBondContact O-N 3.2Å; R77-S79 VanDerWaalsContact O-N 3.08Å; R77-S79 PolarHBondContact O-OG 2.69Å
78	S	92.6	Very high	95	Very high	16 Å²	16	50 Å²	50	11%	0.112	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.1	178.6	-52.5	0	0	0	0	113.8	N59 E74 I75 I76 N80 D81 L82	N59-S78 PolarHBondContact ND2-OG 3.43Å; E74-S78 PolarHBondContact O-N 2.83Å; E74-S78 VanDerWaalsContact O-N 3.17Å; E74-S78 PolarHBondContact O-OG 3.48Å; I75-S78 VanDerWaalsContact O-CB 3.3Å; I75-S78 WeakPolarHBondContact O-CB 3.42Å; I75-S78 PolarHBondContact O-N 2.92Å; I76-S78 PolarHBondContact O-N 3.01Å; S78-N80 PolarHBondContact O-N 3.44Å; S78-D81 WeakPolarHBondContact CB-O 3.47Å; S78-D81 PolarHBondContact O-N 3.07Å; S78-D81 VanDerWaalsContact O-N 3.11Å; S78-D81 VanDerWaalsContact O-O 3.09Å; S78-L82 WeakPolarHBondContact OG-CD1 3.27Å
79	S	93.1	Very high	94.2	Very high	59 Å²	59	50.2 Å²	50.2	41%	0.413	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-99.8	176.6	-57.7	0	0	0	0	112.7	R12 W19 I76 R77	R12-S79 PolarHBondContact NE-O 2.79Å; R12-S79 PolarHBondContact NH2-O 3.39Å; W19-S79 VanDerWaalsContact CZ2-O 3.3Å; W19-S79 WeakPolarHBondContact CZ2-O 3.37Å; I76-S79 PolarHBondContact O-N 3.05Å; R77-S79 PolarHBondContact O-N 3.2Å; R77-S79 VanDerWaalsContact O-N 3.08Å; R77-S79 PolarHBondContact O-OG 2.69Å
80	N	95.1	Very high	92.8	Very high	58 Å²	58	51 Å²	51	31%	0.31	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-5.5	-174.3	-73.9	-11.2	0	0	0	114.2	I11 R12 T15 S78	I11-N80 WeakPolarHBondContact CA-O 3.43Å; R12-N80 HydrophobicContact CG-CB 4.3Å; R12-N80 PolarHBondContact N-O 2.8Å; R12-N80 WeakPolarHBondContact O-CB 3.42Å; T15-N80 VanDerWaalsContact CG2-OD1 3.27Å; T15-N80 WeakPolarHBondContact CG2-OD1 3.46Å; T15-N80 PolarHBondContact N-OD1 2.6Å; S78-N80 PolarHBondContact O-N 3.44Å
81	D	95.5	Very high	91	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	108.9	-176.9	-172.5	8.9	0	0	0	109.6	R9 S78	R9-D81 IonicContact CZ-OD1 3.46Å; R9-D81 IonicContact CZ-OD2 3.81Å; R9-D81 IonicContact NE-OD1 3.44Å; R9-D81 PolarHBondContact NE-OD1 3.35Å; R9-D81 IonicContact NE-OD2 2.73Å; R9-D81 PolarHBondContact NE-OD2 3.16Å; R9-D81 IonicContact NH2-OD1 2.69Å; R9-D81 IonicContact NH2-OD2 3.95Å; R9-D81 PolarHBondContact NH2-OD2 3.04Å; S78-D81 WeakPolarHBondContact CB-O 3.47Å; S78-D81 PolarHBondContact O-N 3.07Å; S78-D81 VanDerWaalsContact O-N 3.11Å; S78-D81 VanDerWaalsContact O-O 3.09Å
82	L	96.8	Very high	88.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.9	-176.8	172.8	68.3	0	0	0	109.4	R9 L10 W19 F21 I58 I75 S78 L84	R9-L82 CarbonylContact C-O 3.47Å; R9-L82 WeakPolarHBondContact CA-O 3.48Å; L10-L82 HydrophobicContact CB-CB 4.36Å; L10-L82 HydrophobicContact CD1-CD2 4.25Å; L10-L82 HydrophobicContact CD1-CG 4.34Å; L10-L82 PolarHBondContact N-O 3.42Å; L10-L82 PolarHBondContact O-N 2.95Å; W19-L82 HydrophobicContact CD2-CD2 4.14Å; W19-L82 HydrophobicContact CG-CD2 4.29Å; W19-L82 HydrophobicContact CH2-CB 3.8Å; W19-L82 HydrophobicContact CZ2-CB 3.62Å; W19-L82 HydrophobicContact CZ2-CD2 4.34Å; W19-L82 HydrophobicContact CZ3-CB 4.43Å; F21-L82 HydrophobicContact CE1-CD2 3.87Å; F21-L82 HydrophobicContact CZ-CD2 3.94Å; I58-L82 HydrophobicContact CG2-CD1 3.86Å; I75-L82 HydrophobicContact CB-CD1 4.45Å; I75-L82 HydrophobicContact CG1-CD1 4.1Å; I75-L82 HydrophobicContact CG2-CD1 4.44Å; I75-L82 HydrophobicContact CG2-CD2 3.96Å; S78-L82 WeakPolarHBondContact OG-CD1 3.27Å; L82-L84 HydrophobicContact CD1-CD2 4.04Å; L82-L84 HydrophobicContact CD2-CD1 4.5Å; L82-L84 HydrophobicContact CD2-CD2 4.43Å; L82-L84 HydrophobicContact CD2-CG 4.41Å; L82-L84 HydrophobicContact CG-CD2 4.22Å; L82-L84 HydrophobicContact CG-CG 4.24Å
83	E	96.9	Very high	86.1	Confident	73 Å²	73	56 Å²	56	34%	0.341	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128	172.9	-171.3	176.6	-153.7	0	0	110.3	S7 N59	S7-E83 WeakPolarHBondContact OG-CG 3.07Å; S7-E83 PolarHBondContact OG-OE1 2.84Å; N59-E83 PolarHBondContact N-O 2.7Å; N59-E83 PolarHBondContact OD1-N 3.4Å; N59-E83 PolarHBondContact OD1-O 3.5Å
84	L	97	Very high	83.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.8	175.8	-60.4	179.7	0	0	0	109	I8 L10 F21 L49 V55 I58 L82 V86	I8-L84 PolarHBondContact N-O 3.46Å; I8-L84 PolarHBondContact O-N 3.02Å; L10-L84 HydrophobicContact CD1-CD1 4.02Å; L10-L84 HydrophobicContact CD1-CG 4.15Å; F21-L84 HydrophobicContact CZ-CD1 4.35Å; L49-L84 HydrophobicContact CD1-CD1 4.05Å; L49-L84 HydrophobicContact CD2-CD1 4.08Å; V55-L84 HydrophobicContact CG1-CD2 4.22Å; I58-L84 HydrophobicContact CB-CD2 4.32Å; I58-L84 HydrophobicContact CG1-CD2 3.87Å; I58-L84 HydrophobicContact CG2-CD2 4.1Å; L82-L84 HydrophobicContact CD1-CD2 4.04Å; L82-L84 HydrophobicContact CD2-CD1 4.5Å; L82-L84 HydrophobicContact CD2-CD2 4.43Å; L82-L84 HydrophobicContact CD2-CG 4.41Å; L82-L84 HydrophobicContact CG-CD2 4.22Å; L82-L84 HydrophobicContact CG-CG 4.24Å; L84-V86 HydrophobicContact CB-CG1 4.04Å
85	F	96.4	Very high	81.1	Confident	57 Å²	57	65.4 Å²	65.4	25%	0.25	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111	169	-162.9	-105.5	0	0	0	108.2	H5 V56 R57	H5-F85 HydrophobicContact CB-CE1 3.86Å; H5-F85 HydrophobicContact CB-CE2 4.43Å; H5-F85 HydrophobicContact CB-CZ 3.61Å; H5-F85 AromaticContact ND1-CE1 3.51Å; H5-F85 AromaticContact ND1-CZ 3.93Å; V56-F85 HydrophobicContact CB-CD1 4.16Å; V56-F85 HydrophobicContact CG1-CD1 4.43Å; V56-F85 PolarHBondContact N-O 2.82Å; R57-F85 HydrophobicContact CB-CB 3.71Å; R57-F85 PolarHBondContact N-O 3.48Å; R57-F85 PolarHBondContact O-N 2.85Å
86	V	95.5	Very high	78.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.5	-173.8	-52.7	0	0	0	0	112	H5 C6 I8 L49 D53 H54 V55 L84	H5-V86 WeakPolarHBondContact CA-O 3.4Å; C6-V86 PolarHBondContact N-O 3.36Å; C6-V86 PolarHBondContact O-N 2.76Å; C6-V86 WeakPolarHBondContact SG-CG2 3.22Å; I8-V86 HydrophobicContact CD1-CG2 3.66Å; I8-V86 HydrophobicContact CG1-CG2 4.35Å; L49-V86 HydrophobicContact CD1-CG1 4.14Å; D53-V86 HydrophobicContact CB-CB 3.99Å; D53-V86 HydrophobicContact CB-CG1 4.28Å; D53-V86 HydrophobicContact CB-CG2 4.07Å; H54-V86 CarbonylContact O-C 3.58Å; H54-V86 WeakPolarHBondContact O-CA 3.34Å; V55-V86 HydrophobicContact CG2-CG1 4.25Å; L84-V86 HydrophobicContact CB-CG1 4.04Å
87	Q	93.6	Very high	76.2	Confident	63 Å²	63	74.6 Å²	74.6	29%	0.294	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.7	172.6	-179.3	174.3	-1.5	0	0	108.6	S3 Q4 H54 V56	S3-Q87 PolarHBondContact OG-NE2 3.25Å; Q4-Q87 WeakPolarHBondContact O-CA 3.4Å; H54-Q87 HydrophobicContact CB-CB 4.29Å; H54-Q87 PolarHBondContact N-O 2.89Å; H54-Q87 PolarHBondContact O-N 2.87Å; V56-Q87 HydrophobicContact CG2-CB 3.9Å
88	R	91.1	Very high	73.8	Confident	50 Å²	50	76.5 Å²	76.5	19%	0.189	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.6	175.2	-169.9	172.5	-68.7	162.4	1.4	108.5	Q4 G48 R50 D53	Q4-R88 PolarHBondContact N-O 2.81Å; Q4-R88 PolarHBondContact O-N 3.21Å; G48-R88 PolarHBondContact O-NH2 3.49Å; R50-R88 VanDerWaalsContact CD-CZ 3.46Å; D53-R88 IonicContact OD1-CZ 3.47Å; D53-R88 IonicContact OD1-NE 2.79Å; D53-R88 PolarHBondContact OD1-NE 3.01Å; D53-R88 IonicContact OD1-NH2 3.3Å; D53-R88 PolarHBondContact OD1-NH2 2.93Å; D53-R88 IonicContact OD2-CZ 3.72Å; D53-R88 IonicContact OD2-NE 3.81Å; D53-R88 IonicContact OD2-NH2 2.78Å; D53-R88 PolarHBondContact OD2-NH2 3.42Å
89	S	78.7	Confident	71.3	Confident	50 Å²	50	82.7 Å²	82.7	35%	0.35	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.6	171.2	50.4	0	0	0	0	108.7	I91	S89-I91 PolarHBondContact O-N 3.07Å
90	D	65.9	Low	68.8	Low	103 Å²	103	86.4 Å²	86.4	55%	0.551	45%	0.454	S	S	*	.	S	Bend	trans	-70.6	15.2	-179.8	-65.6	-37.7	0	0	0	113.3	Q4 A92	Q4-D90 PolarHBondContact NE2-OD2 3.37Å; D90-A92 PolarHBondContact O-N 2.84Å
91	I	57.8	Low	66.3	Low	88 Å²	88	93 Å²	93	45%	0.451	48%	0.481	S	S	.	.			trans	-84.6	111.5	174.4	-50.6	175.9	0	0	0	105.8	M1 S89 N93	M1-I91 HydrophobicContact SD-CD1 4.19Å; S89-I91 PolarHBondContact O-N 3.07Å; I91-N93 HydrophobicContact CB-CB 4.22Å; I91-N93 HydrophobicContact CG2-CB 3.73Å; I91-N93 PolarHBondContact O-N 2.59Å
92	A	44.9	Very low	63.5	Low	104 Å²	104	95.3 Å²	95.3	86%	0.86	50%	0.502	S	S	*	.			trans	-58.5	74.6	161.1	0	0	0	0	0	108.8	D90	D90-A92 PolarHBondContact O-N 2.84Å
93	N	44.5	Very low	60.7	Low	91 Å²	91	100.6 Å²	100.6	49%	0.487	54%	0.536	S	S	.	.			trans	-103.5	95.1	-171.7	-141.8	26.4	0	0	0	107.9	I91 Y95	I91-N93 HydrophobicContact CB-CB 4.22Å; I91-N93 HydrophobicContact CG2-CB 3.73Å; I91-N93 PolarHBondContact O-N 2.59Å; N93-Y95 WeakPolarHBondContact O-CD2 3.3Å; N93-Y95 PolarHBondContact O-N 3.35Å
94	T	41.3	Very low	58.1	Low	102 Å²	102	102.8 Å²	102.8	63%	0.626	56%	0.559	S	S	*	*			trans	-11.9	95.8	139.6	35.5	0	0	0	0	113.3	T96	T94-T96 PolarHBondContact O-N 2.95Å
95	Y	44.2	Very low	55.4	Low	153 Å²	153	108.1 Å²	108.1	60%	0.6	59%	0.594	S	S	*	*			trans	-77.2	65.9	156.7	-71.9	-86.9	0	0	0	108.2	G52 N93	G52-Y95 PolarHBondContact O-OH 2.72Å; N93-Y95 WeakPolarHBondContact O-CD2 3.3Å; N93-Y95 PolarHBondContact O-N 3.35Å
96	T	39.9	Very low	53.2	Low	106 Å²	106	114.6 Å²	114.6	65%	0.65	62%	0.622	S	S	*	*			trans	-95.8	107.3	157.3	48.2	0	0	0	0	106.3	T94 Q98	T94-T96 PolarHBondContact O-N 2.95Å; T96-Q98 PolarHBondContact O-N 3.49Å
97	H	46.7	Very low	50.9	Low	178 Å²	178	122.4 Å²	122.4	82%	0.824	66%	0.658	S	S	*	*			trans	10.8	98.4	157.7	-89.1	-98.2	0	0	0	115.1	N99	H97-N99 PolarHBondContact O-N 3.14Å
98	Q	42.8	Very low	48.1	Very low	188 Å²	188	123.7 Å²	123.7	88%	0.879	67%	0.674	S	S	*	*			trans	-71.8	85.7	158.3	-76.8	-177.3	-1.3	0	0	108.3	T96	T96-Q98 PolarHBondContact O-N 3.49Å
99	N	40.5	Very low	46	Very low	146 Å²	146	128.8 Å²	128.8	78%	0.781	70%	0.704	S	S	*	*			trans	-84	120.9	150.4	-101.2	1.7	0	0	0	107.8	H97	H97-N99 PolarHBondContact O-N 3.14Å
100	N	39.1	Very low	44	Very low	137 Å²	137	131.3 Å²	131.3	73%	0.733	72%	0.722	S	S	*	*			trans	-20.3	150.6	171	-62.9	-29.8	0	0	0	120.2
101	F	42.8	Very low	43.1	Very low	198 Å²	198	138.3 Å²	138.3	87%	0.868	74%	0.741	S	S	*	*			trans	110.3	89	152.5	-71.5	-81.3	0	0	0	119
102	S	36.8	Very low	42.6	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	76%	0.756	S	S	*	*			trans	50.9	143.4	130.2	-126.5	0	0	0	0	122.7
103	P	37.4	Very low	42.7	Very low	110 Å²	110	140.5 Å²	140.5	71%	0.714	75%	0.754	S	S	*	*			trans	-104	156.6	-148.1	40	-32.9	0	0	0	114.2
104	S	42.6	Very low	43.2	Very low	120 Å²	120	145.4 Å²	145.4	84%	0.839	77%	0.771	S	S	*	*			trans	-159.5	131.7	146.3	-83.4	0	0	0	0	110.8
105	P	41	Very low	43.3	Very low	112 Å²	112	146.7 Å²	146.7	73%	0.727	78%	0.781	S	S	*	*			trans	-88.7	150	177	35.2	-30.2	0	0	0	110.2
106	K	49.5	Very low	43.8	Very low	192 Å²	192	146.2 Å²	146.2	84%	0.835	79%	0.794	S	S	*	*			trans	173.1	127	137	-90.9	161.4	-166.2	-173.6	0	112.6
107	H	46.9	Very low	44.5	Very low	165 Å²	165	146.1 Å²	146.1	76%	0.764	80%	0.798	S	S	*	*			trans	64.5	101.8	145.6	-72.2	-76.9	0	0	0	121.9
108	S	36.1	Very low	44.6	Very low	89 Å²	89	143.9 Å²	143.9	62%	0.622	80%	0.799	S	S	*	*				16.4	118.1	119.2	59.2	0	0	0	0	118.4
109	L	46.1	Very low	44.8	Very low	158 Å²	158	143.4 Å²	143.4	83%	0.827	80%	0.797	S	S	*	*				173.1	126.6	115	-90.1	157.1	0	0	0	111.5
110	S	37.7	Very low	45	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	80%	0.798	S	S	*	*			trans	28.5	114.5	143.9	58.9	0	0	0	0	120.5
111	R	45.8	Very low	45.4	Very low	251 Å²	251	142.5 Å²	142.5	95%	0.947	80%	0.804	S	S	*	*				-173.1	146.1	118.5	-110.1	170.2	-174.9	-128.5	-1.9	113.7
112	S	47.6	Very low	45.3	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	80%	0.795	S	S	*	*			trans	-54.4	153.5	-171.7	-50.4	0	0	0	0	116.7
113	P	46.5	Very low	45.4	Very low	127 Å²	127	144.3 Å²	144.3	83%	0.825	80%	0.796	S	S	*	*			trans	-84.3	138.3	174.7	33.4	-30.8	0	0	0	111.8
114	K	56.3	Low	45.7	Very low	193 Å²	193	146.2 Å²	146.2	84%	0.839	80%	0.796	S	S	*	*			trans	-106.2	141.8	161.2	-74.4	-172.7	177.8	-173.2	0	109.3
115	P	42.7	Very low	45.7	Very low	129 Å²	129	147.1 Å²	147.1	84%	0.838	80%	0.797	S	S	*	*			trans	-80.8	133.5	-178.8	32.5	-31.1	0	0	0	110.6
116	V	54.4	Low	45.7	Very low	143 Å²	143	147.5 Å²	147.5	87%	0.867	79%	0.791	S	S	*	*			trans	-117.3	132.3	170.3	164.1	0	0	0	0	109.1
117	S	56.1	Low	44.9	Very low	105 Å²	105	149 Å²	149	73%	0.734	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.7	158.5	-176.2	-63.8	0	0	0	0	115.4
118	P	47	Very low	44.4	Very low	130 Å²	130	149 Å²	149	84%	0.844	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77.6	125.8	179.4	16.1	-3.8	0	0	0	111.2
119	Q	47.4	Very low	44.5	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-88.3	146.6	163.2	-84.2	-158.5	-35.4	0	0	111	V121	Q119-V121 PolarHBondContact O-N 3.04Å
120	P	46.2	Very low	44.3	Very low	123 Å²	123	151.6 Å²	151.6	80%	0.799	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72	123.4	-177.3	28.9	-32.3	0	0	0	110.8	N122	P120-N122 PolarHBondContact O-N 3.32Å
121	V	47.1	Very low	44.7	Very low	141 Å²	141	154 Å²	154	86%	0.855	80%	0.799	S	S	*	*			trans	-67	115.1	171.2	-87.5	0	0	0	0	110.3	Q119 R123	Q119-V121 PolarHBondContact O-N 3.04Å; V121-R123 PolarHBondContact O-N 2.92Å
122	N	40.6	Very low	44.5	Very low	128 Å²	128	148.3 Å²	148.3	68%	0.684	79%	0.792	S	S	*	*			trans	-59.4	121.2	172	-173.3	5.9	0	0	0	109.9	P120 Q124	P120-N122 PolarHBondContact O-N 3.32Å; N122-Q124 PolarHBondContact O-N 2.81Å
123	R	38.7	Very low	43.8	Very low	222 Å²	222	147.9 Å²	147.9	84%	0.838	79%	0.789	S	S	*	*			trans	-89.6	76.4	-175.4	-144.4	178.4	-173.2	-119.9	3.9	109	V121	V121-R123 PolarHBondContact O-N 2.92Å
124	Q	43	Very low	43.5	Very low	150 Å²	150	147.1 Å²	147.1	70%	0.701	79%	0.787	S	S	*	*			trans	-136.6	102.1	167.5	-66.6	179.6	-20.5	0	0	104	N122	N122-Q124 PolarHBondContact O-N 2.81Å
125	T	42.2	Very low	42.8	Very low	140 Å²	140	144.9 Å²	144.9	86%	0.859	79%	0.788	S	S	*	*				-154	100.5	85.2	-44.9	0	0	0	0	109.5
126	I	40.9	Very low	42.8	Very low	120 Å²	120	148 Å²	148	62%	0.615	79%	0.792	S	S	*	*			trans	-91.5	123.7	161.8	-72.7	164	0	0	0	106.1	Q128	I126-Q128 PolarHBondContact O-N 2.88Å
127	W	32.6	Very low	41.7	Very low	224 Å²	224	149.7 Å²	149.7	85%	0.848	79%	0.793	S	S	*	*			trans	-62.9	115.4	176.9	-149.1	88.6	0	0	0	109.3	P129	W127-P129 HydrophobicContact CZ3-CB 4.21Å
128	Q	36.6	Very low	40.9	Very low	163 Å²	163	150.3 Å²	150.3	76%	0.762	80%	0.797	S	S	*	*			trans	-117.2	123.2	174.4	-69.7	-176.8	9.7	0	0	108.9	I126 K130	I126-Q128 PolarHBondContact O-N 2.88Å; Q128-K130 PolarHBondContact O-N 3.04Å
129	P	39.1	Very low	40.4	Very low	99 Å²	99	149.5 Å²	149.5	64%	0.643	79%	0.791	S	S	*	*			trans	-73.7	122.5	172.3	28.3	-27.8	0	0	0	109.4	W127 I131	W127-P129 HydrophobicContact CZ3-CB 4.21Å; P129-I131 PolarHBondContact O-N 3.36Å
130	K	42.7	Very low	39.9	Very low	203 Å²	203	148.4 Å²	148.4	88%	0.883	79%	0.791	S	S	*	*			trans	-67.7	117.8	171	-101	178.8	-179	172.7	0	109.4	Q128	Q128-K130 PolarHBondContact O-N 3.04Å
131	I	44.8	Very low	39.4	Very low	154 Å²	154	149.3 Å²	149.3	79%	0.79	79%	0.79	S	S	*	*			trans	-84.5	111.2	166.2	-58.4	171.2	0	0	0	106.8	P129 S133	P129-I131 PolarHBondContact O-N 3.36Å; I131-S133 PolarHBondContact O-N 3.4Å
132	V	41.7	Very low	38.9	Very low	131 Å²	131	146.4 Å²	146.4	79%	0.794	78%	0.776	S	S	*	*			trans	-84.7	102.5	170	176.2	0	0	0	0	107.5
133	S	33.8	Very low	39	Very low	101 Å²	101	148.5 Å²	148.5	71%	0.706	78%	0.781	S	S	*	*			trans	-89.8	114.5	164.8	-61.5	0	0	0	0	108.4	I131	I131-S133 PolarHBondContact O-N 3.4Å
134	S	40	Very low	38.9	Very low	112 Å²	112	145.2 Å²	145.2	78%	0.783	78%	0.78	S	S	*	*			trans	-173.6	95	159.9	-76.1	0	0	0	0	109.8
135	V	41.8	Very low	38.6	Very low	145 Å²	145	144.4 Å²	144.4	88%	0.879	78%	0.78	S	S	*	*			trans	-137.1	102.3	149.1	-166.5	0	0	0	0	106.8
136	Q	41.2	Very low	38.5	Very low	195 Å²	195	144.5 Å²	144.5	91%	0.911	77%	0.771	S	S	*	*			trans	-74.5	133.2	166.4	-82.6	172.7	-56.4	0	0	108.7
137	M	33.2	Very low	38.2	Very low	179 Å²	179	146.9 Å²	146.9	88%	0.882	78%	0.779	S	S	*	*			trans	-78.1	142.9	177.4	-50.8	-150.5	96.4	0	0	111
138	S	37.7	Very low	38.3	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	77%	0.769	S	S	*	*			trans	-148.2	135.1	147	-83.8	0	0	0	0	109.2
139	P	36.4	Very low	38.1	Very low	112 Å²	112	142.9 Å²	142.9	73%	0.727	78%	0.775	S	S	*	*			trans	-94.7	140.2	-169.9	36.2	-30.2	0	0	0	110.7
140	N	38	Very low	38	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	78%	0.777	S	S	*	*			trans	179.6	120.6	133.2	-98.7	-23.2	0	0	0	113.1
141	N	34.8	Very low	37.7	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	78%	0.779	S	S	*	*				53.8	129.7	127.1	-138.1	14.7	0	0	0	121.6
142	S	36.2	Very low	37.4	Very low	80 Å²	80	139 Å²	139	56%	0.559	78%	0.776	S	S	*	*			trans	86.3	112.4	148.1	-59.2	0	0	0	0	120
143	H	43.1	Very low	37.1	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.796	78%	0.779	S	S	*	*			trans	90.2	107	139.7	-63.7	-22.3	0	0	0	119.9
144	N	38	Very low	37.2	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	77%	0.77	S	S	*	*				47.3	109.5	127.5	-78.9	-11.6	0	0	0	118.9
145	N	35.8	Very low	37.1	Very low	132 Å²	132	142 Å²	142	71%	0.706	78%	0.775	S	S	*	*				104.7	125	121.1	-139.5	14.4	0	0	0	118
146	H	39.3	Very low	36.8	Very low	142 Å²	142	142 Å²	142	66%	0.657	77%	0.765	S	S	*	*			trans	73	125.5	158.1	-71.8	-52.1	0	0	0	122.8
147	Q	35.7	Very low	36.6	Very low	170 Å²	170	137.5 Å²	137.5	79%	0.794	76%	0.761	S	S	*	*			trans	76.1	101.2	138.8	-74.5	161.5	-22.1	0	0	118.4
148	A	34.9	Very low	36.6	Very low	77 Å²	77	134.6 Å²	134.6	64%	0.636	75%	0.754	S	S	*	*			trans	178.5	112.4	133.9	0	0	0	0	0	112.7
149	Y	31.7	Very low	36.5	Very low	226 Å²	226	134.3 Å²	134.3	89%	0.886	75%	0.751	S	S	*	*			trans	39.6	100.1	140.9	-31.3	-69.2	0	0	0	118.8
150	G	37.5	Very low	36.5	Very low	66 Å²	66	137.4 Å²	137.4	68%	0.68	76%	0.756	S	S	*	*			trans	-145.6	120.6	166.5	0	0	0	0	0	110.7	H152	G150-H152 PolarHBondContact O-N 3.1Å; G150-H152 VanDerWaalsContact O-N 3.11Å
151	T	37.1	Very low	36.4	Very low	150 Å²	150	137.4 Å²	137.4	92%	0.92	76%	0.756	S	S	*	*			trans	-61.1	107.2	179.2	46.6	0	0	0	0	110.9
152	H	37.2	Very low	36.5	Very low	160 Å²	160	139.8 Å²	139.8	74%	0.741	76%	0.763	S	S	*	*			trans	-90	117.5	171.8	-115.3	-98.1	0	0	0	109.9	G150 N154	G150-H152 PolarHBondContact O-N 3.1Å; G150-H152 VanDerWaalsContact O-N 3.11Å; H152-N154 PolarHBondContact ND1-OD1 3.27Å
153	V	36.3	Very low	36.4	Very low	139 Å²	139	145.4 Å²	145.4	84%	0.842	78%	0.78	S	S	*	*			trans	-96.3	87.1	156.4	-77	0	0	0	0	107.4	L155	V153-L155 PolarHBondContact O-N 2.88Å
154	N	34.9	Very low	36.4	Very low	97 Å²	97	142.5 Å²	142.5	52%	0.519	78%	0.779	S	S	.	*			trans	-84.3	107.8	170.2	-114.9	21	0	0	0	108.7	H152 E156	H152-N154 PolarHBondContact ND1-OD1 3.27Å; N154-E156 PolarHBondContact ND2-OE1 3.11Å; N154-E156 PolarHBondContact ND2-OE2 3.1Å
155	L	39	Very low	36.2	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	79%	0.786	S	S	*	*			trans	-91.6	85.5	152.8	-108.9	81.8	0	0	0	106.8	V153 A157	V153-L155 PolarHBondContact O-N 2.88Å; L155-A157 PolarHBondContact O-N 3.45Å
156	E	35.2	Very low	36.4	Very low	146 Å²	146	139.5 Å²	139.5	68%	0.682	78%	0.781	S	S	*	*			trans	-72.1	106	161.1	-111.7	114.6	-175.4	0	0	108.1	N154 T158	N154-E156 PolarHBondContact ND2-OE1 3.11Å; N154-E156 PolarHBondContact ND2-OE2 3.1Å; E156-T158 PolarHBondContact O-N 3.19Å
157	A	36.6	Very low	36.5	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	79%	0.794	S	S	*	*			trans	-79.9	92.7	161.9	0	0	0	0	0	107.8	L155 S159	L155-A157 PolarHBondContact O-N 3.45Å; A157-S159 PolarHBondContact O-N 2.73Å; A157-S159 VanDerWaalsContact O-N 3.11Å
158	T	33.9	Very low	37.2	Very low	119 Å²	119	135.6 Å²	135.6	73%	0.73	78%	0.779	S	S	*	*			trans	-66.4	110	171.8	-41.7	0	0	0	0	109.1	E156 Q160	E156-T158 PolarHBondContact O-N 3.19Å; T158-Q160 PolarHBondContact O-N 3.08Å
159	S	35.8	Very low	37.8	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	78%	0.782	S	S	*	*			trans	-68.2	114.8	167.8	42.6	0	0	0	0	110.3	A157	A157-S159 PolarHBondContact O-N 2.73Å; A157-S159 VanDerWaalsContact O-N 3.11Å
160	Q	36.5	Very low	38.8	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	78%	0.78	S	S	*	*			trans	-131.7	121.4	151.3	-69.3	-170.4	-12.9	0	0	108.3	T158	T158-Q160 PolarHBondContact O-N 3.08Å
161	N	34.1	Very low	39.3	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	78%	0.776	S	S	*	*			trans	-31.7	139.5	163.3	-69.4	-24.8	0	0	0	111.3
162	E	37.5	Very low	39.9	Very low	192 Å²	192	137.4 Å²	137.4	90%	0.897	76%	0.763	S	S	*	*				-164.2	135.9	113.9	-63.4	-150	125.3	0	0	108.6	S164	E162-S164 PolarHBondContact O-N 3.27Å
163	E	34.4	Very low	40.7	Very low	199 Å²	199	132.9 Å²	132.9	93%	0.93	74%	0.743	S	S	*	*			trans	-59.1	120.9	179.5	-75.3	160.1	91	0	0	112.3
164	S	42.3	Very low	41.7	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	73%	0.734	S	S	*	*			trans	-166.1	125.4	144.1	14.1	0	0	0	0	111.3	E162 S166	E162-S164 PolarHBondContact O-N 3.27Å; S164-S166 PolarHBondContact O-N 2.77Å
165	S	34.4	Very low	42.6	Very low	137 Å²	137	132 Å²	132	96%	0.958	75%	0.747	S	S	*	*			trans	-39.2	99.5	178	-42.7	0	0	0	0	114.2
166	S	39.2	Very low	43.4	Very low	86 Å²	86	126.6 Å²	126.6	60%	0.601	72%	0.72	S	S	*	*			trans	-126.5	112	163.8	-177.7	0	0	0	0	110.2	S164 G168	S164-S166 PolarHBondContact O-N 2.77Å; S166-G168 PolarHBondContact O-N 2.73Å; S166-G168 VanDerWaalsContact O-N 3.17Å
167	I	42.3	Very low	44.1	Very low	183 Å²	183	124.2 Å²	124.2	94%	0.938	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	107.9	168.3	-76.3	157.1	0	0	0	107.1
168	G	50.3	Low	44.4	Very low	46 Å²	46	130 Å²	130	47%	0.474	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	159.7	-21.4	169.6	0	0	0	0	0	118.8	S166 H171	S166-G168 PolarHBondContact O-N 2.73Å; S166-G168 VanDerWaalsContact O-N 3.17Å; G168-H171 PolarHBondContact O-CE1 3.17Å; G168-H171 PolarHBondContact O-ND1 3.48Å
169	V	48.6	Very low	45.4	Very low	115 Å²	115	128.3 Å²	128.3	70%	0.697	73%	0.729	S	S	*	*			trans	-117.8	0	-164.8	-161.4	0	0	0	0	114.7	H171	V169-H171 VanDerWaalsContact C-N 3.31Å; V169-H171 PolarHBondContact O-N 3.27Å
170	K	51.6	Low	46.5	Very low	193 Å²	193	128.9 Å²	128.9	84%	0.839	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-1.9	-172.9	-60.8	-176.8	-177.1	-179.9	0	115.8
171	H	48.7	Very low	47.5	Very low	129 Å²	129	125.4 Å²	125.4	60%	0.597	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	4.4	-176.1	58.2	-89.6	0	0	0	113.9	G168 V169	G168-H171 PolarHBondContact O-CE1 3.17Å; G168-H171 PolarHBondContact O-ND1 3.48Å; V169-H171 VanDerWaalsContact C-N 3.31Å; V169-H171 PolarHBondContact O-N 3.27Å
172	N	49.6	Very low	48.5	Very low	121 Å²	121	123.3 Å²	123.3	65%	0.647	71%	0.71	S	S	*	*			trans	-106.7	74.8	176.7	-150	8.5	0	0	0	109.4
173	I	53.9	Low	49.5	Very low	64 Å²	64	115.6 Å²	115.6	33%	0.328	68%	0.677	S	S	.	*			trans	-86.4	127.4	174.2	-55.5	178.5	0	0	0	107.5	I201 S205	I173-I201 HydrophobicContact CD1-CG2 3.76Å; I173-I201 HydrophobicContact CG2-CD1 4.39Å; I173-S205 WeakPolarHBondContact CB-O 3.46Å; I173-S205 WeakPolarHBondContact CG1-O 3.04Å
174	S	56.2	Low	50.7	Low	95 Å²	95	108.6 Å²	108.6	66%	0.664	65%	0.653	S	S	*	*			trans	-42.4	140.4	-179.6	-52.6	0	0	0	0	112.2	L176	S174-L176 PolarHBondContact O-N 3.38Å
175	P	53.5	Low	51.3	Low	122 Å²	122	108.8 Å²	108.8	79%	0.792	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-54	140.2	174.6	23.1	-31.8	0	0	0	109.8
176	L	55.9	Low	52.3	Low	58 Å²	58	104.7 Å²	104.7	30%	0.304	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-47.6	137.8	174.8	-79.9	138.9	0	0	0	109.7	S174 F178	S174-L176 PolarHBondContact O-N 3.38Å; L176-F178 PolarHBondContact O-N 2.9Å
177	P	50.6	Low	53.3	Low	95 Å²	95	106 Å²	106	62%	0.617	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-55.4	131.6	175.5	22.8	-31.5	0	0	0	109.5	G179	P177-G179 PolarHBondContact O-N 3.12Å; P177-G179 VanDerWaalsContact O-N 3.15Å
178	F	43.5	Very low	54.2	Low	222 Å²	222	100.9 Å²	100.9	97%	0.974	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	120.4	-179.6	-68.6	-81.6	0	0	0	110.3	L176	L176-F178 PolarHBondContact O-N 2.9Å
179	G	55.2	Low	54.7	Low	82 Å²	82	100 Å²	100	85%	0.845	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	131.1	-13	175.7	0	0	0	0	0	116.2	P177	P177-G179 PolarHBondContact O-N 3.12Å; P177-G179 VanDerWaalsContact O-N 3.15Å
180	Q	57.5	Low	55.3	Low	123 Å²	123	99.8 Å²	99.8	58%	0.575	58%	0.582	S	S	*	*	S	Bend	trans	-92.3	134.5	170.7	-65.6	-176.9	3.1	0	0	110.4
181	S	57.3	Low	55.6	Low	105 Å²	105	93 Å²	93	73%	0.734	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-59.6	138.4	169.8	46.4	0	0	0	0	109.1
182	P	56.7	Low	56	Low	112 Å²	112	93 Å²	93	73%	0.727	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-58.8	136.2	175.5	22.9	-30.8	0	0	0	109.5
183	P	57.2	Low	56.6	Low	30 Å²	30	90.7 Å²	90.7	20%	0.195	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-58.9	150.8	176.1	27.4	-37.3	0	0	0	110.5	E187 V189	P183-E187 HydrophobicContact CB-CB 3.9Å; P183-V189 HydrophobicContact CB-CG2 3.67Å; P183-V189 HydrophobicContact CG-CG2 3.53Å
184	A	60	Low	56.4	Low	53 Å²	53	90.7 Å²	90.7	44%	0.438	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-60.3	151.7	177.3	0	0	0	0	0	110.6	G186 E187	A184-G186 PolarHBondContact O-N 3.03Å; A184-E187 HydrophobicContact CB-CG 4.33Å; A184-E187 PolarHBondContact N-OE2 3.12Å; A184-E187 WeakPolarHBondContact O-CB 3.45Å; A184-E187 PolarHBondContact O-N 3.23Å
185	P	54.4	Low	56.3	Low	114 Å²	114	95.2 Å²	95.2	74%	0.74	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	109.5	-179.8	-24.9	33.4	0	0	0	112.3
186	G	56.2	Low	56.4	Low	51 Å²	51	91.7 Å²	91.7	53%	0.526	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	101	-2.2	-178.2	0	0	0	0	0	115.5	A184	A184-G186 PolarHBondContact O-N 3.03Å
187	E	61.1	Low	56.5	Low	113 Å²	113	98 Å²	98	53%	0.528	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-74.6	146.9	169.1	-91.5	-171.5	135.7	0	0	111.9	P183 A184	P183-E187 HydrophobicContact CB-CB 3.9Å; A184-E187 HydrophobicContact CB-CG 4.33Å; A184-E187 PolarHBondContact N-OE2 3.12Å; A184-E187 WeakPolarHBondContact O-CB 3.45Å; A184-E187 PolarHBondContact O-N 3.23Å
188	N	59.9	Low	56.9	Low	76 Å²	76	100 Å²	100	41%	0.406	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-101.3	127.9	175.7	-52.3	-77.9	0	0	0	108.1	K200 I201	N188-K200 HydrophobicContact CB-CD 4.18Å; N188-K200 VanDerWaalsContact CB-CE 3.46Å; N188-K200 HydrophobicContact CB-CG 3.61Å; N188-K200 WeakPolarHBondContact ND2-CE 3.18Å; N188-K200 PolarHBondContact ND2-NZ 3.27Å; N188-K200 WeakPolarHBondContact OD1-CE 3.41Å; N188-I201 WeakPolarHBondContact CA-O 3.27Å
189	V	60.7	Low	57.6	Low	28 Å²	28	97.5 Å²	97.5	17%	0.17	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	130.7	174.6	-178	0	0	0	0	108	P183 I201 Y206	P183-V189 HydrophobicContact CB-CG2 3.67Å; P183-V189 HydrophobicContact CG-CG2 3.53Å; V189-I201 PolarHBondContact N-O 3.3Å; V189-I201 VanDerWaalsContact N-O 3.07Å; V189-I201 PolarHBondContact O-N 2.95Å; V189-Y206 WeakPolarHBondContact CB-OH 3.38Å
190	L	61.2	Low	58	Low	110 Å²	110	100.7 Å²	100.7	58%	0.576	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	104.4	172.6	-161.6	73.7	0	0	0	108.1	Y198 K200	L190-Y198 HydrophobicContact CD2-CD1 3.61Å; L190-Y198 HydrophobicContact CD2-CE1 4.37Å; L190-Y198 HydrophobicContact CD2-CG 3.92Å; L190-Y198 HydrophobicContact CG-CD1 3.89Å; L190-Y198 HydrophobicContact CG-CG 4.21Å; L190-K200 HydrophobicContact CD1-CB 4.4Å
191	T	59	Low	58	Low	51 Å²	51	95.7 Å²	95.7	31%	0.313	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.8	178.1	-47.4	0	0	0	0	109.5	V193 R199 I201	T191-V193 PolarHBondContact O-N 3.36Å; T191-R199 PolarHBondContact N-O 2.83Å; T191-R199 PolarHBondContact O-N 2.9Å; T191-I201 HydrophobicContact CG2-CD1 4.5Å; T191-I201 VanDerWaalsContact OG1-CD1 3.22Å; T191-I201 WeakPolarHBondContact OG1-CD1 3.43Å
192	K	56.5	Low	58.2	Low	129 Å²	129	92 Å²	92	56%	0.561	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.2	166.6	-86.4	-166.1	174.6	-179.3	0	108.6	Y198	K192-Y198 HydrophobicContact CD-CE1 4.09Å; K192-Y198 VanDerWaalsContact CE-CE1 3.48Å; K192-Y198 WeakPolarHBondContact CE-OH 3.48Å; K192-Y198 HydrophobicContact CG-CD1 3.7Å; K192-Y198 HydrophobicContact CG-CE1 3.48Å; K192-Y198 VanDerWaalsContact CG-CE1 3.48Å; K192-Y198 HydrophobicContact CG-CG 4.45Å
193	V	61.2	Low	58.2	Low	71 Å²	71	88 Å²	88	43%	0.43	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	148.9	164.2	-169.7	0	0	0	0	107.3	T191 E195 G196 R197 R199	T191-V193 PolarHBondContact O-N 3.36Å; V193-E195 PolarHBondContact O-N 3.09Å; V193-G196 PolarHBondContact O-N 3.48Å; V193-G196 VanDerWaalsContact O-N 3.17Å; V193-R197 PolarHBondContact N-O 3.49Å; V193-R199 HydrophobicContact CG2-CB 4.13Å; V193-R199 HydrophobicContact CG2-CG 3.96Å
194	G	49.8	Very low	58.2	Low	65 Å²	65	88.7 Å²	88.7	67%	0.67	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	135.5	169.4	0	0	0	0	0	109.5
195	E	55.1	Low	58.2	Low	189 Å²	189	87.3 Å²	87.3	88%	0.883	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	7.4	-162.9	-55.4	-177.1	149	0	0	116.7	V193 R197	V193-E195 PolarHBondContact O-N 3.09Å; E195-R197 PolarHBondContact O-N 3.31Å; E195-R197 VanDerWaalsContact O-N 3.17Å
196	G	56.3	Low	58.5	Low	49 Å²	49	82.9 Å²	82.9	51%	0.505	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	9.5	171.2	0	0	0	0	0	114.5	V193	V193-G196 PolarHBondContact O-N 3.48Å; V193-G196 VanDerWaalsContact O-N 3.17Å
197	R	56.8	Low	58.7	Low	189 Å²	189	86 Å²	86	71%	0.713	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.4	176.1	-139.4	172.3	-162.3	165.2	4.2	109.9	V193 E195	V193-R197 PolarHBondContact N-O 3.49Å; E195-R197 PolarHBondContact O-N 3.31Å; E195-R197 VanDerWaalsContact O-N 3.17Å
198	Y	58.8	Low	58.7	Low	139 Å²	139	82.9 Å²	82.9	55%	0.545	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.2	173.4	-63.7	-84.3	0	0	0	109.9	L190 K192	L190-Y198 HydrophobicContact CD2-CD1 3.61Å; L190-Y198 HydrophobicContact CD2-CE1 4.37Å; L190-Y198 HydrophobicContact CD2-CG 3.92Å; L190-Y198 HydrophobicContact CG-CD1 3.89Å; L190-Y198 HydrophobicContact CG-CG 4.21Å; K192-Y198 HydrophobicContact CD-CE1 4.09Å; K192-Y198 VanDerWaalsContact CE-CE1 3.48Å; K192-Y198 WeakPolarHBondContact CE-OH 3.48Å; K192-Y198 HydrophobicContact CG-CD1 3.7Å; K192-Y198 HydrophobicContact CG-CE1 3.48Å; K192-Y198 VanDerWaalsContact CG-CE1 3.48Å; K192-Y198 HydrophobicContact CG-CG 4.45Å
199	R	59.2	Low	58.6	Low	169 Å²	169	84 Å²	84	64%	0.638	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.5	169.1	-77.7	-163.5	171.9	-169.4	-0.3	110.3	T191 V193 I201	T191-R199 PolarHBondContact N-O 2.83Å; T191-R199 PolarHBondContact O-N 2.9Å; V193-R199 HydrophobicContact CG2-CB 4.13Å; V193-R199 HydrophobicContact CG2-CG 3.96Å; R199-I201 PolarHBondContact O-N 3.35Å
200	K	63.7	Low	58.5	Low	148 Å²	148	90.1 Å²	90.1	64%	0.643	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	110.1	169.2	-175.9	-179.3	-179.7	176.2	0	107.9	N188 L190	N188-K200 HydrophobicContact CB-CD 4.18Å; N188-K200 VanDerWaalsContact CB-CE 3.46Å; N188-K200 HydrophobicContact CB-CG 3.61Å; N188-K200 WeakPolarHBondContact ND2-CE 3.18Å; N188-K200 PolarHBondContact ND2-NZ 3.27Å; N188-K200 WeakPolarHBondContact OD1-CE 3.41Å; L190-K200 HydrophobicContact CD1-CB 4.4Å
201	I	56	Low	58.6	Low	18 Å²	18	85 Å²	85	9%	0.092	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.8	177.2	-45.4	178.9	0	0	0	108.3	I173 N188 V189 T191 R199 Y206	I173-I201 HydrophobicContact CD1-CG2 3.76Å; I173-I201 HydrophobicContact CG2-CD1 4.39Å; N188-I201 WeakPolarHBondContact CA-O 3.27Å; V189-I201 PolarHBondContact N-O 3.3Å; V189-I201 VanDerWaalsContact N-O 3.07Å; V189-I201 PolarHBondContact O-N 2.95Å; T191-I201 HydrophobicContact CG2-CD1 4.5Å; T191-I201 VanDerWaalsContact OG1-CD1 3.22Å; T191-I201 WeakPolarHBondContact OG1-CD1 3.43Å; R199-I201 PolarHBondContact O-N 3.35Å; I201-Y206 VanDerWaalsContact C-OH 3.25Å; I201-Y206 HydrophobicContact CB-CE1 3.67Å; I201-Y206 WeakPolarHBondContact CB-OH 3.25Å; I201-Y206 HydrophobicContact CD1-CE1 4.25Å; I201-Y206 HydrophobicContact CG2-CD1 3.81Å; I201-Y206 HydrophobicContact CG2-CE1 3.08Å; I201-Y206 HydrophobicContact CG2-CE2 4.13Å; I201-Y206 WeakPolarHBondContact CG2-OH 3.39Å; I201-Y206 PolarHBondContact O-OH 2.94Å
202	S	62.1	Low	58.7	Low	27 Å²	27	87 Å²	87	19%	0.189	45%	0.45	C	S	.	.			trans	-84.9	150.9	175.9	162.7	0	0	0	0	110	S204 S205 Y206	S202-S204 PolarHBondContact O-N 3.45Å; S202-S204 PolarHBondContact OG-N 3.21Å; S202-S204 PolarHBondContact OG-OG 3.36Å; S202-S205 WeakPolarHBondContact O-CA 3.44Å; S202-S205 VanDerWaalsContact O-CB 3.25Å; S202-S205 WeakPolarHBondContact O-CB 3.48Å; S202-S205 PolarHBondContact O-N 3.03Å; S202-S205 PolarHBondContact O-OG 3.04Å; S202-Y206 VanDerWaalsContact C-CE2 3.46Å; S202-Y206 WeakPolarHBondContact O-CE2 3.42Å
203	H	56.1	Low	58.9	Low	29 Å²	29	90 Å²	90	13%	0.134	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-50.3	-27.9	174.1	-163.2	-124.3	0	0	0	114.5	S205 Y206 G211	H203-S205 PolarHBondContact O-N 3.09Å; H203-Y206 VanDerWaalsContact CA-CE2 3.48Å; H203-G211 WeakPolarHBondContact CE1-CA 3.19Å; H203-G211 PolarHBondContact CE1-N 3.02Å; H203-G211 WeakPolarHBondContact ND1-CA 3.5Å
204	S	58.8	Low	59.2	Low	44 Å²	44	89.4 Å²	89.4	31%	0.308	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-67.6	-14	173.6	64.8	0	0	0	0	114.6	S202 N217	S202-S204 PolarHBondContact O-N 3.45Å; S202-S204 PolarHBondContact OG-N 3.21Å; S202-S204 PolarHBondContact OG-OG 3.36Å; S204-N217 WeakPolarHBondContact CA-ND2 3.41Å
205	S	59.5	Low	60.2	Low	25 Å²	25	92 Å²	92	18%	0.175	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-99.5	-9.6	-171	-27.3	0	0	0	0	112.8	I173 S202 H203	I173-S205 WeakPolarHBondContact CB-O 3.46Å; I173-S205 WeakPolarHBondContact CG1-O 3.04Å; S202-S205 WeakPolarHBondContact O-CA 3.44Å; S202-S205 VanDerWaalsContact O-CB 3.25Å; S202-S205 WeakPolarHBondContact O-CB 3.48Å; S202-S205 PolarHBondContact O-N 3.03Å; S202-S205 PolarHBondContact O-OG 3.04Å; H203-S205 PolarHBondContact O-N 3.09Å
206	Y	61.4	Low	60.9	Low	20 Å²	20	91 Å²	91	8%	0.078	44%	0.441	C	S	.	.	S	Bend	trans	-105.4	140.6	170.8	-25	-88.6	0	0	0	108.2	V189 I201 S202 H203 S208	V189-Y206 WeakPolarHBondContact CB-OH 3.38Å; I201-Y206 VanDerWaalsContact C-OH 3.25Å; I201-Y206 HydrophobicContact CB-CE1 3.67Å; I201-Y206 WeakPolarHBondContact CB-OH 3.25Å; I201-Y206 HydrophobicContact CD1-CE1 4.25Å; I201-Y206 HydrophobicContact CG2-CD1 3.81Å; I201-Y206 HydrophobicContact CG2-CE1 3.08Å; I201-Y206 HydrophobicContact CG2-CE2 4.13Å; I201-Y206 WeakPolarHBondContact CG2-OH 3.39Å; I201-Y206 PolarHBondContact O-OH 2.94Å; S202-Y206 VanDerWaalsContact C-CE2 3.46Å; S202-Y206 WeakPolarHBondContact O-CE2 3.42Å; H203-Y206 VanDerWaalsContact CA-CE2 3.48Å; Y206-S208 PolarHBondContact O-N 3.46Å
207	N	59.2	Low	61.3	Low	117 Å²	117	89.5 Å²	89.5	63%	0.626	42%	0.421	S	S	*	.			trans	-76	55.1	177.9	-164.5	9.3	0	0	0	111.1
208	S	61.4	Low	61.9	Low	48 Å²	48	88.2 Å²	88.2	34%	0.336	42%	0.416	S	S	.	.			trans	-90.8	118.5	177.6	-63.3	0	0	0	0	108.9	Y206 M210 G211	Y206-S208 PolarHBondContact O-N 3.46Å; S208-M210 PolarHBondContact O-N 2.79Å; S208-G211 PolarHBondContact O-N 3.38Å
209	P	58.5	Low	62.7	Low	100 Å²	100	85.3 Å²	85.3	65%	0.649	41%	0.41	S	S	*	.	H	α-helix	trans	-58.9	-28	-173.2	20.7	-31.9	0	0	0	113	G211 Y213	P209-G211 VanDerWaalsContact C-N 3.33Å; P209-G211 PolarHBondContact O-N 3.21Å; P209-Y213 WeakPolarHBondContact O-CD2 3.43Å
210	M	58.9	Low	63.2	Low	156 Å²	156	82.3 Å²	82.3	77%	0.768	40%	0.403	S	S	*	.	H	α-helix	trans	-72	-25.7	177.6	-156.1	59.5	61.8	0	0	113.4	S208	S208-M210 PolarHBondContact O-N 2.79Å
211	G	62.3	Low	63.5	Low	1 Å²	1	79.2 Å²	79.2	1%	0.01	40%	0.397	C	S	.	.	H	α-helix	trans	-82.6	-28	-174.6	0	0	0	0	0	115.6	H203 S208 P209 Y213 N217	H203-G211 WeakPolarHBondContact CE1-CA 3.19Å; H203-G211 PolarHBondContact CE1-N 3.02Å; H203-G211 WeakPolarHBondContact ND1-CA 3.5Å; S208-G211 PolarHBondContact O-N 3.38Å; P209-G211 VanDerWaalsContact C-N 3.33Å; P209-G211 PolarHBondContact O-N 3.21Å; G211-Y213 PolarHBondContact O-N 2.93Å; G211-N217 WeakPolarHBondContact O-CB 3.33Å; G211-N217 PolarHBondContact O-ND2 3.15Å
212	L	60.7	Low	64.3	Low	93 Å²	93	84.9 Å²	84.9	49%	0.487	42%	0.421	S	S	.	.	H	α-helix	trans	-68.4	-26	-179.3	-68.7	170.2	0	0	0	112
213	Y	60.9	Low	64.9	Low	192 Å²	192	89.7 Å²	89.7	75%	0.753	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	1.8	-175.9	-56.1	-69.3	0	0	0	114.6	P209 G211	P209-Y213 WeakPolarHBondContact O-CD2 3.43Å; G211-Y213 PolarHBondContact O-N 2.93Å
214	N	67	Low	65.6	Low	60 Å²	60	96.8 Å²	96.8	32%	0.321	47%	0.466	S	S	.	.			trans	-73.8	130.6	176.6	-169.9	6.1	0	0	0	110.6	K216 N217 R218	N214-K216 PolarHBondContact O-N 2.82Å; N214-K216 VanDerWaalsContact O-N 3.08Å; N214-N217 WeakPolarHBondContact O-CA 3.46Å; N214-N217 WeakPolarHBondContact O-CB 3.16Å; N214-N217 PolarHBondContact O-N 3.27Å; N214-R218 PolarHBondContact O-N 3.07Å
215	Q	71.1	Confident	66.2	Low	119 Å²	119	99.2 Å²	99.2	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-48.2	-41.5	-178.1	-165.7	82	3.8	0	0	112.5	N217 R218 N219	Q215-N217 PolarHBondContact O-N 3.48Å; Q215-R218 PolarHBondContact O-N 2.83Å; Q215-N219 VanDerWaalsContact O-CG 3.27Å; Q215-N219 PolarHBondContact O-N 2.78Å; Q215-N219 PolarHBondContact O-OD1 3.35Å
216	K	71.2	Confident	66.8	Low	168 Å²	168	101.9 Å²	101.9	73%	0.73	49%	0.491	S	S	*	.	H	α-helix	trans	-61.9	-43.2	178.5	-66	-176.8	-179.6	178.4	0	112.4	N214 Q220	N214-K216 PolarHBondContact O-N 2.82Å; N214-K216 VanDerWaalsContact O-N 3.08Å; K216-Q220 WeakPolarHBondContact O-CB 3.23Å; K216-Q220 PolarHBondContact O-N 3Å
217	N	64.8	Low	67.3	Low	17 Å²	17	104.7 Å²	104.7	9%	0.091	51%	0.514	C	S	.	.	H	α-helix	trans	-69.8	-37.4	178.1	-113.2	20.1	0	0	0	111.4	S204 G211 N214 Q215 Q220 T221	S204-N217 WeakPolarHBondContact CA-ND2 3.41Å; G211-N217 WeakPolarHBondContact O-CB 3.33Å; G211-N217 PolarHBondContact O-ND2 3.15Å; N214-N217 WeakPolarHBondContact O-CA 3.46Å; N214-N217 WeakPolarHBondContact O-CB 3.16Å; N214-N217 PolarHBondContact O-N 3.27Å; Q215-N217 PolarHBondContact O-N 3.48Å; N217-Q220 PolarHBondContact O-N 3.32Å; N217-T221 WeakPolarHBondContact O-CB 3.16Å; N217-T221 PolarHBondContact O-N 3.38Å; N217-T221 PolarHBondContact O-OG1 2.86Å
218	R	68.6	Low	67.4	Low	162 Å²	162	106 Å²	106	61%	0.611	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-45.9	176.7	-139.1	-176.7	74.8	137.9	4.2	111.3	N214 Q215 T221 F222	N214-R218 PolarHBondContact O-N 3.07Å; Q215-R218 PolarHBondContact O-N 2.83Å; R218-T221 PolarHBondContact O-N 3.02Å; R218-F222 WeakPolarHBondContact O-CB 3.41Å; R218-F222 PolarHBondContact O-N 3.21Å
219	N	75.7	Confident	67.2	Low	78 Å²	78	107.4 Å²	107.4	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-66.1	-43.5	177.9	-67.2	-2.3	0	0	0	111.7	Q215 T221 F222 E223	Q215-N219 VanDerWaalsContact O-CG 3.27Å; Q215-N219 PolarHBondContact O-N 2.78Å; Q215-N219 PolarHBondContact O-OD1 3.35Å; N219-T221 VanDerWaalsContact C-N 3.32Å; N219-T221 PolarHBondContact O-N 2.98Å; N219-F222 PolarHBondContact O-N 2.69Å; N219-E223 PolarHBondContact O-N 2.87Å
220	Q	69.7	Low	67.2	Low	106 Å²	106	108 Å²	108	50%	0.495	54%	0.538	S	S	.	.	H	α-helix	trans	-66.3	-35.2	-179.9	-159.7	176.3	49.9	0	0	112.2	K216 N217 R224	K216-Q220 WeakPolarHBondContact O-CB 3.23Å; K216-Q220 PolarHBondContact O-N 3Å; N217-Q220 PolarHBondContact O-N 3.32Å; Q220-R224 WeakPolarHBondContact O-CB 3.24Å; Q220-R224 PolarHBondContact O-N 2.98Å; Q220-R224 VanDerWaalsContact O-N 3.16Å
221	T	69	Low	66.5	Low	84 Å²	84	104.1 Å²	104.1	52%	0.515	54%	0.538	S	S	.	.	H	α-helix	trans	-67.2	-43	174.6	-51.7	0	0	0	0	110.6	N217 R218 N219 R224 T225	N217-T221 WeakPolarHBondContact O-CB 3.16Å; N217-T221 PolarHBondContact O-N 3.38Å; N217-T221 PolarHBondContact O-OG1 2.86Å; R218-T221 PolarHBondContact O-N 3.02Å; N219-T221 VanDerWaalsContact C-N 3.32Å; N219-T221 PolarHBondContact O-N 2.98Å; T221-R224 PolarHBondContact O-N 2.86Å; T221-T225 PolarHBondContact O-N 3.46Å; T221-T225 PolarHBondContact O-OG1 3.36Å
222	F	74.4	Confident	65.7	Low	136 Å²	136	111.5 Å²	111.5	60%	0.596	58%	0.577	S	S	*	*	H	α-helix	trans	-63.1	-48	177.5	-177.6	-107.5	0	0	0	112.9	R218 N219 R224 T225 L226	R218-F222 WeakPolarHBondContact O-CB 3.41Å; R218-F222 PolarHBondContact O-N 3.21Å; N219-F222 PolarHBondContact O-N 2.69Å; F222-R224 VanDerWaalsContact C-N 3.26Å; F222-R224 PolarHBondContact O-N 3.46Å; F222-T225 PolarHBondContact O-N 2.83Å; F222-L226 HydrophobicContact CD1-CD1 3.55Å; F222-L226 HydrophobicContact CD2-CD1 4.37Å; F222-L226 HydrophobicContact CE1-CD1 3.15Å; F222-L226 HydrophobicContact CE1-CG 4.49Å; F222-L226 HydrophobicContact CE2-CD1 4.03Å; F222-L226 HydrophobicContact CG-CD1 4.16Å; F222-L226 HydrophobicContact CZ-CD1 3.42Å; F222-L226 VanDerWaalsContact CZ-CD1 3.42Å; F222-L226 HydrophobicContact CZ-CG 4.45Å; F222-L226 PolarHBondContact O-N 3.33Å
223	E	74.5	Confident	64.8	Low	128 Å²	128	115.2 Å²	115.2	60%	0.598	59%	0.592	S	S	*	*	H	α-helix	trans	-62.1	-34.6	176.8	-77.5	-168.5	168	0	0	112.4	N219 L226 S227	N219-E223 PolarHBondContact O-N 2.87Å; E223-L226 PolarHBondContact O-N 2.93Å; E223-S227 VanDerWaalsContact O-CB 3.27Å; E223-S227 WeakPolarHBondContact O-CB 3.41Å; E223-S227 PolarHBondContact O-N 3Å; E223-S227 PolarHBondContact O-OG 2.99Å
224	R	71	Confident	64	Low	178 Å²	178	112.3 Å²	112.3	67%	0.672	59%	0.589	S	S	*	*	H	α-helix	trans	-70.8	-38.2	177.4	-143.4	174.6	-165.2	168	4.4	111.5	Q220 T221 F222 N228	Q220-R224 WeakPolarHBondContact O-CB 3.24Å; Q220-R224 PolarHBondContact O-N 2.98Å; Q220-R224 VanDerWaalsContact O-N 3.16Å; T221-R224 PolarHBondContact O-N 2.86Å; F222-R224 VanDerWaalsContact C-N 3.26Å; F222-R224 PolarHBondContact O-N 3.46Å; R224-N228 WeakPolarHBondContact O-CB 3.31Å; R224-N228 PolarHBondContact O-N 3.29Å; R224-N228 VanDerWaalsContact O-N 3.07Å; R224-N228 PolarHBondContact O-OD1 3.35Å
225	T	71.5	Confident	62.6	Low	95 Å²	95	116.8 Å²	116.8	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-65.5	-39.3	173.4	-53.9	0	0	0	0	111.5	T221 F222 A229	T221-T225 PolarHBondContact O-N 3.46Å; T221-T225 PolarHBondContact O-OG1 3.36Å; F222-T225 PolarHBondContact O-N 2.83Å; T225-A229 PolarHBondContact O-N 3.49Å
226	L	71.8	Confident	60.9	Low	81 Å²	81	114.7 Å²	114.7	42%	0.424	62%	0.623	S	S	.	*	H	α-helix	trans	-68.2	-47.7	174.7	-86.1	153.7	0	0	0	112.5	F222 E223 N228 A229 T230	F222-L226 HydrophobicContact CD1-CD1 3.55Å; F222-L226 HydrophobicContact CD2-CD1 4.37Å; F222-L226 HydrophobicContact CE1-CD1 3.15Å; F222-L226 HydrophobicContact CE1-CG 4.49Å; F222-L226 HydrophobicContact CE2-CD1 4.03Å; F222-L226 HydrophobicContact CG-CD1 4.16Å; F222-L226 HydrophobicContact CZ-CD1 3.42Å; F222-L226 VanDerWaalsContact CZ-CD1 3.42Å; F222-L226 HydrophobicContact CZ-CG 4.45Å; F222-L226 PolarHBondContact O-N 3.33Å; E223-L226 PolarHBondContact O-N 2.93Å; L226-N228 PolarHBondContact O-N 2.84Å; L226-A229 WeakPolarHBondContact O-CA 3.46Å; L226-A229 PolarHBondContact O-N 2.9Å; L226-T230 PolarHBondContact O-N 3.17Å; L226-T230 VanDerWaalsContact O-N 3.16Å; L226-T230 PolarHBondContact O-OG1 3.47Å
227	S	70.7	Confident	59.2	Low	80 Å²	80	112 Å²	112	56%	0.559	63%	0.632	S	S	*	*	H	α-helix	trans	-59.7	-35.9	179.2	-60	0	0	0	0	112	E223 A229	E223-S227 VanDerWaalsContact O-CB 3.27Å; E223-S227 WeakPolarHBondContact O-CB 3.41Å; E223-S227 PolarHBondContact O-N 3Å; E223-S227 PolarHBondContact O-OG 2.99Å; S227-A229 VanDerWaalsContact C-N 3.29Å; S227-A229 PolarHBondContact O-N 2.73Å
228	N	61.2	Low	58.3	Low	143 Å²	143	115.5 Å²	115.5	77%	0.765	66%	0.664	S	S	*	*	H	α-helix	trans	-73.5	-18.6	174.6	-90.2	54.2	0	0	0	113.7	R224 L226	R224-N228 WeakPolarHBondContact O-CB 3.31Å; R224-N228 PolarHBondContact O-N 3.29Å; R224-N228 VanDerWaalsContact O-N 3.07Å; R224-N228 PolarHBondContact O-OD1 3.35Å; L226-N228 PolarHBondContact O-N 2.84Å
229	A	57.3	Low	57.2	Low	79 Å²	79	113.5 Å²	113.5	65%	0.653	67%	0.671	S	S	*	*	H	α-helix	trans	-93.5	-18.5	-179.1	0	0	0	0	0	113.8	T225 L226 S227	T225-A229 PolarHBondContact O-N 3.49Å; L226-A229 WeakPolarHBondContact O-CA 3.46Å; L226-A229 PolarHBondContact O-N 2.9Å; S227-A229 VanDerWaalsContact C-N 3.29Å; S227-A229 PolarHBondContact O-N 2.73Å
230	T	58.3	Low	55.2	Low	113 Å²	113	122 Å²	122	69%	0.693	70%	0.697	S	S	*	*	H	α-helix	trans	-123.1	10.5	-170.3	52.1	0	0	0	0	116.5	L226 N232	L226-T230 PolarHBondContact O-N 3.17Å; L226-T230 VanDerWaalsContact O-N 3.16Å; L226-T230 PolarHBondContact O-OG1 3.47Å; T230-N232 PolarHBondContact O-N 3.25Å
231	G	44.7	Very low	54.4	Low	74 Å²	74	123.2 Å²	123.2	76%	0.763	71%	0.712	S	S	*	*			trans	-95	80.9	-179.1	0	0	0	0	0	114.8
232	N	44.8	Very low	52.9	Low	155 Å²	155	123.8 Å²	123.8	83%	0.829	72%	0.72	S	S	*	*			trans	-112.2	148.8	161.4	-119.3	-6.1	0	0	0	108	T230	T230-N232 PolarHBondContact O-N 3.25Å
233	Q	42.7	Very low	51.6	Low	172 Å²	172	123.6 Å²	123.6	80%	0.804	73%	0.732	S	S	*	*			trans	78.7	122.8	170	-87.8	-178.9	24.8	0	0	115.7
234	L	43.6	Very low	49.9	Very low	131 Å²	131	123.3 Å²	123.3	69%	0.686	74%	0.739	S	S	*	*			cis	-161.3	150.9	22.9	-85.8	152.8	0	0	0	111.7
235	D	38.1	Very low	48.6	Very low	153 Å²	153	120 Å²	120	82%	0.818	74%	0.739	S	S	*	*			trans	64.2	119	145.8	-52.4	-27.2	0	0	0	122.8
236	G	36	Very low	47.7	Very low	76 Å²	76	120.5 Å²	120.5	78%	0.784	74%	0.743	S	S	*	*			trans	160.3	73	162.7	0	0	0	0	0	115.5
237	A	35.7	Very low	47	Very low	111 Å²	111	122.1 Å²	122.1	92%	0.917	76%	0.759	S	S	*	*			trans	15	103.2	161.7	0	0	0	0	0	119.4
238	A	44.9	Very low	46.7	Very low	91 Å²	91	121 Å²	121	75%	0.752	75%	0.751	S	S	*	*			trans	-140.9	147.6	157.8	0	0	0	0	0	109.5
239	P	44.8	Very low	47.5	Very low	119 Å²	119	117.5 Å²	117.5	77%	0.773	73%	0.731	S	S	*	*			trans	-69.7	146.3	-158.8	28	-33.7	0	0	0	113.2	V241	P239-V241 PolarHBondContact O-N 3.35Å
240	R	34.9	Very low	48.9	Very low	256 Å²	256	117.2 Å²	117.2	97%	0.966	72%	0.716	S	S	*	*			trans	-47.8	105.9	177.1	-80.9	173.5	160.2	-136.9	-1.3	112.1
241	V	51.6	Low	50.5	Low	133 Å²	133	112 Å²	112	81%	0.806	68%	0.684	S	S	*	*			trans	-104.4	126	151.9	-104.5	0	0	0	0	106.7	P239	P239-V241 PolarHBondContact O-N 3.35Å
242	S	38.8	Very low	52.4	Low	96 Å²	96	111.2 Å²	111.2	67%	0.671	68%	0.676	S	S	*	*			trans	-41.2	150.6	172.8	-37.8	0	0	0	0	111.3	T244	S242-T244 PolarHBondContact O-N 3.01Å; S242-T244 PolarHBondContact O-OG1 3.43Å
243	P	46	Very low	54.4	Low	131 Å²	131	106.8 Å²	106.8	85%	0.851	66%	0.657	S	S	*	*			trans	-65.5	91.1	176.2	28.2	-31.6	0	0	0	108.3	T245	P243-T245 PolarHBondContact O-N 2.8Å
244	T	40.5	Very low	56.7	Low	122 Å²	122	102 Å²	102	75%	0.748	64%	0.642	S	S	*	*			trans	-67.8	103.8	173.7	-51.9	0	0	0	0	105.8	S242	S242-T244 PolarHBondContact O-N 3.01Å; S242-T244 PolarHBondContact O-OG1 3.43Å
245	T	43.8	Very low	58.7	Low	109 Å²	109	98 Å²	98	67%	0.669	63%	0.633	S	S	*	*			trans	-32.1	128.2	163.5	-2.2	0	0	0	0	108.9	P243	P243-T245 PolarHBondContact O-N 2.8Å
246	P	52	Low	61.1	Low	105 Å²	105	92 Å²	92	68%	0.682	61%	0.607	S	S	*	*			trans	-51.4	135.3	173.5	23.4	-32.4	0	0	0	106.9	S248	P246-S248 VanDerWaalsContact C-N 3.33Å; P246-S248 PolarHBondContact O-N 3.15Å
247	P	57.6	Low	63.6	Low	115 Å²	115	94 Å²	94	75%	0.747	59%	0.594	S	S	*	*			trans	-55	102.7	-172.5	20.9	-31.9	0	0	0	108	M249	P247-M249 VanDerWaalsContact C-N 3.26Å; P247-M249 PolarHBondContact O-N 3.29Å
248	S	63.2	Low	66.1	Low	56 Å²	56	89.7 Å²	89.7	39%	0.392	56%	0.556	S	S	.	*			trans	-73.3	92.9	-179.1	53.3	0	0	0	0	105.2	P246 H250	P246-S248 VanDerWaalsContact C-N 3.33Å; P246-S248 PolarHBondContact O-N 3.15Å; S248-H250 VanDerWaalsContact C-N 3.34Å; S248-H250 WeakPolarHBondContact CB-CE1 3.24Å; S248-H250 PolarHBondContact O-N 2.95Å; S248-H250 PolarHBondContact O-ND1 3.03Å; S248-H250 PolarHBondContact OG-CE1 3.35Å; S248-H250 PolarHBondContact OG-ND1 3.05Å
249	M	77.8	Confident	68	Low	70 Å²	70	95.9 Å²	95.9	35%	0.345	56%	0.56	S	S	.	*			trans	-71	95	177.9	-69.3	-78.7	-78.8	0	0	107	P247 I258 F262 P270	P247-M249 VanDerWaalsContact C-N 3.26Å; P247-M249 PolarHBondContact O-N 3.29Å; M249-I258 HydrophobicContact CB-CB 4.32Å; M249-I258 VanDerWaalsContact O-CB 3.31Å; M249-I258 WeakPolarHBondContact O-CB 3.33Å; M249-I258 PolarHBondContact O-N 2.7Å; M249-F262 HydrophobicContact CE-CD2 4.1Å; M249-F262 HydrophobicContact CE-CE1 4.3Å; M249-F262 HydrophobicContact CE-CE2 3.68Å; M249-F262 HydrophobicContact CE-CZ 3.81Å; M249-P270 HydrophobicContact CE-CB 3.62Å; M249-P270 HydrophobicContact CE-CG 3.99Å; M249-P270 HydrophobicContact SD-CB 4.48Å; M249-P270 HydrophobicContact SD-CG 4.2Å
250	H	87.8	Confident	69.8	Low	74 Å²	74	93.3 Å²	93.3	34%	0.343	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-92.4	142.2	176.3	-62.3	102.8	0	0	0	109.9	S248 G252 G255 G256 F257	S248-H250 VanDerWaalsContact C-N 3.34Å; S248-H250 WeakPolarHBondContact CB-CE1 3.24Å; S248-H250 PolarHBondContact O-N 2.95Å; S248-H250 PolarHBondContact O-ND1 3.03Å; S248-H250 PolarHBondContact OG-CE1 3.35Å; S248-H250 PolarHBondContact OG-ND1 3.05Å; H250-G252 PolarHBondContact O-N 2.87Å; H250-G255 PolarHBondContact CD2-O 3.46Å; H250-G256 CarbonylContact C-O 3.59Å; H250-G256 WeakPolarHBondContact CA-O 3.47Å; H250-F257 AromaticContact NE2-CD1 3.91Å; H250-F257 AromaticContact NE2-CD2 3.99Å; H250-F257 AromaticContact NE2-CE1 3.41Å; H250-F257 WeakPolarHBondContact NE2-CE1 3.22Å; H250-F257 AromaticContact NE2-CE2 3.47Å; H250-F257 WeakPolarHBondContact NE2-CE2 3.34Å; H250-F257 AromaticContact NE2-CZ 3.16Å; H250-F257 WeakPolarHBondContact NE2-CZ 3.37Å
251	C	90.7	Very high	72.2	Confident	2 Å²	2	86.8 Å²	86.8	1%	0.014	54%	0.543	C	S	.	.			trans	-71.1	127.3	176.1	174	0	0	0	0	111.1	S253 C254 G255 G256 I258 P270 H272	C251-S253 PolarHBondContact O-N 3.09Å; C251-S253 VanDerWaalsContact O-N 3.09Å; C251-S253 PolarHBondContact SG-N 2.82Å; C251-C254 VanDerWaalsContact CB-SG 3.5Å; C251-C254 VanDerWaalsContact SG-SG 3.7Å; C251-G255 VanDerWaalsContact O-CA 3.24Å; C251-G255 WeakPolarHBondContact O-CA 3.48Å; C251-G255 PolarHBondContact O-N 2.78Å; C251-G256 PolarHBondContact N-O 3.15Å; C251-I258 HydrophobicContact CB-CD1 4.07Å; C251-I258 HydrophobicContact CB-CG1 3.93Å; C251-P270 WeakPolarHBondContact CA-O 3.42Å; C251-H272 VanDerWaalsContact CB-CE1 3.46Å; C251-H272 WeakPolarHBondContact CB-CE1 3.43Å; C251-H272 WeakPolarHBondContact CB-ND1 3.45Å
252	G	85.6	Confident	74	Confident	58 Å²	58	84.3 Å²	84.3	60%	0.598	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.7	176.7	0	0	0	0	0	115.5	H250 P270	H250-G252 PolarHBondContact O-N 2.87Å; G252-P270 PolarHBondContact N-O 2.85Å
253	S	87.2	Confident	76.4	Confident	62 Å²	62	81.8 Å²	81.8	43%	0.434	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-53.3	176.2	143.4	0	0	0	0	112.7	C251	C251-S253 PolarHBondContact O-N 3.09Å; C251-S253 VanDerWaalsContact O-N 3.09Å; C251-S253 PolarHBondContact SG-N 2.82Å
254	C	89.6	Confident	78.4	Confident	72 Å²	72	81.4 Å²	81.4	49%	0.486	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-7.1	-171.6	67.8	0	0	0	0	113	C251 G256 H272	C251-C254 VanDerWaalsContact CB-SG 3.5Å; C251-C254 VanDerWaalsContact SG-SG 3.7Å; C254-G256 PolarHBondContact O-N 2.97Å; C254-G256 PolarHBondContact SG-N 3.43Å; C254-G256 VanDerWaalsContact SG-N 3.38Å; C254-H272 PolarHBondContact SG-CE1 3.42Å; C254-H272 PolarHBondContact SG-ND1 2.83Å; C254-H272 VanDerWaalsContact SG-ND1 3.36Å
255	G	86.8	Confident	80.6	Confident	48 Å²	48	75.7 Å²	75.7	50%	0.495	45%	0.451	S	S	.	.			trans	68.7	-7.9	-173	0	0	0	0	0	114.3	H250 C251	H250-G255 PolarHBondContact CD2-O 3.46Å; C251-G255 VanDerWaalsContact O-CA 3.24Å; C251-G255 WeakPolarHBondContact O-CA 3.48Å; C251-G255 PolarHBondContact O-N 2.78Å
256	G	87.1	Confident	82.4	Confident	27 Å²	27	76.2 Å²	76.2	28%	0.278	45%	0.446	S	S	.	.			trans	-68.6	156.2	-177.8	0	0	0	0	0	113.1	H250 C251 C254 I258	H250-G256 CarbonylContact C-O 3.59Å; H250-G256 WeakPolarHBondContact CA-O 3.47Å; C251-G256 PolarHBondContact N-O 3.15Å; C254-G256 PolarHBondContact O-N 2.97Å; C254-G256 PolarHBondContact SG-N 3.43Å; C254-G256 VanDerWaalsContact SG-N 3.38Å; G256-I258 PolarHBondContact O-N 3.41Å
257	F	88.5	Confident	83.6	Confident	117 Å²	117	73.8 Å²	73.8	51%	0.513	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-66.1	130.8	174.3	-77.4	-92.4	0	0	0	111.2	H250 R259 H272	H250-F257 AromaticContact NE2-CD1 3.91Å; H250-F257 AromaticContact NE2-CD2 3.99Å; H250-F257 AromaticContact NE2-CE1 3.41Å; H250-F257 WeakPolarHBondContact NE2-CE1 3.22Å; H250-F257 AromaticContact NE2-CE2 3.47Å; H250-F257 WeakPolarHBondContact NE2-CE2 3.34Å; H250-F257 AromaticContact NE2-CZ 3.16Å; H250-F257 WeakPolarHBondContact NE2-CZ 3.37Å; F257-R259 PolarHBondContact O-N 2.81Å; F257-H272 PolarHBondContact O-NE2 3.03Å; F257-H272 VanDerWaalsContact O-NE2 3.1Å
258	I	88.1	Confident	84.7	Confident	21 Å²	21	79 Å²	79	11%	0.108	45%	0.445	C	S	.	.			trans	-84.3	111.8	173.7	-64.3	172.9	0	0	0	108.3	M249 C251 G256 F262 P270	M249-I258 HydrophobicContact CB-CB 4.32Å; M249-I258 VanDerWaalsContact O-CB 3.31Å; M249-I258 WeakPolarHBondContact O-CB 3.33Å; M249-I258 PolarHBondContact O-N 2.7Å; C251-I258 HydrophobicContact CB-CD1 4.07Å; C251-I258 HydrophobicContact CB-CG1 3.93Å; G256-I258 PolarHBondContact O-N 3.41Å; I258-F262 HydrophobicContact CD1-CB 4.38Å; I258-F262 HydrophobicContact CG2-CB 3.45Å; I258-F262 VanDerWaalsContact CG2-CB 3.45Å; I258-F262 HydrophobicContact CG2-CG 4.28Å; I258-P270 HydrophobicContact CD1-CB 3.64Å; I258-P270 HydrophobicContact CD1-CG 4.16Å
259	R	84.7	Confident	85.7	Confident	221 Å²	221	78.9 Å²	78.9	83%	0.834	44%	0.439	S	S	*	.			trans	-113.2	108.9	172.3	-67.8	-174.5	170.4	111.6	-1.7	108.6	F257	F257-R259 PolarHBondContact O-N 2.81Å
260	G	83.5	Confident	86.3	Confident	64 Å²	64	76.6 Å²	76.6	66%	0.66	43%	0.43	S	S	*	.	S	Bend	trans	105.9	-138.3	178.1	0	0	0	0	0	114
261	V	85.8	Confident	86.3	Confident	119 Å²	119	73.5 Å²	73.5	72%	0.721	42%	0.415	S	S	*	.			trans	-66.8	136.8	-177.7	-178.4	0	0	0	0	109.9	P273	V261-P273 HydrophobicContact CG1-CG 4.32Å; V261-P273 WeakPolarHBondContact O-CD 3.39Å
262	F	89.2	Confident	86.3	Confident	82 Å²	82	74.5 Å²	74.5	36%	0.36	42%	0.42	S	S	.	.			trans	-139.5	157.2	178.2	72	-87.3	0	0	0	110.8	M249 I258 K264 P270 M271	M249-F262 HydrophobicContact CE-CD2 4.1Å; M249-F262 HydrophobicContact CE-CE1 4.3Å; M249-F262 HydrophobicContact CE-CE2 3.68Å; M249-F262 HydrophobicContact CE-CZ 3.81Å; I258-F262 HydrophobicContact CD1-CB 4.38Å; I258-F262 HydrophobicContact CG2-CB 3.45Å; I258-F262 VanDerWaalsContact CG2-CB 3.45Å; I258-F262 HydrophobicContact CG2-CG 4.28Å; F262-K264 HydrophobicContact CD2-CG 4.12Å; F262-K264 HydrophobicContact CE2-CD 4.19Å; F262-K264 HydrophobicContact CE2-CG 3.68Å; F262-P270 HydrophobicContact CD2-CB 4.01Å; F262-P270 HydrophobicContact CE2-CB 4.45Å; F262-M271 WeakPolarHBondContact CA-O 3.39Å
263	V	88.4	Confident	86.5	Confident	42 Å²	42	73.9 Å²	73.9	26%	0.255	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.9	176.5	-63	0	0	0	0	109	P270 M271 L276	V263-P270 CarbonylContact O-C 3.56Å; V263-P270 WeakPolarHBondContact O-CA 3.4Å; V263-M271 HydrophobicContact CG2-CB 3.85Å; V263-M271 WeakPolarHBondContact CG2-O 3.29Å; V263-M271 PolarHBondContact N-O 3.25Å; V263-M271 PolarHBondContact O-N 3.09Å; V263-L276 HydrophobicContact CB-CD1 3.7Å; V263-L276 HydrophobicContact CB-CG 4.42Å; V263-L276 HydrophobicContact CG1-CD1 3.78Å; V263-L276 HydrophobicContact CG2-CD1 3.19Å; V263-L276 HydrophobicContact CG2-CD2 4.06Å; V263-L276 HydrophobicContact CG2-CG 3.4Å; V263-L276 VanDerWaalsContact CG2-CG 3.4Å
264	K	87.8	Confident	86.6	Confident	124 Å²	124	77.3 Å²	77.3	54%	0.539	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.6	175.9	-66.7	-175.4	179	-175.8	0	109.3	F262 I269	F262-K264 HydrophobicContact CD2-CG 4.12Å; F262-K264 HydrophobicContact CE2-CD 4.19Å; F262-K264 HydrophobicContact CE2-CG 3.68Å; K264-I269 WeakPolarHBondContact CA-O 3.45Å
265	V	86.4	Confident	86.7	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.006	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.8	170.7	173.9	0	0	0	0	108.9	G267 R268 I269 M271 L276 Y290 Y292 L297	V265-G267 PolarHBondContact O-N 3.07Å; V265-R268 PolarHBondContact O-N 3.18Å; V265-R268 VanDerWaalsContact O-N 3.16Å; V265-I269 HydrophobicContact CB-CB 4.42Å; V265-I269 PolarHBondContact N-O 3.37Å; V265-I269 PolarHBondContact O-N 2.92Å; V265-M271 HydrophobicContact CB-SD 4.13Å; V265-M271 HydrophobicContact CG2-CG 4.25Å; V265-M271 HydrophobicContact CG2-SD 3.39Å; V265-M271 WeakPolarHBondContact CG2-SD 3.39Å; V265-L276 HydrophobicContact CG2-CD2 3.53Å; V265-Y290 HydrophobicContact CG1-CD2 4.48Å; V265-Y290 HydrophobicContact CG1-CE2 3.77Å; V265-Y290 HydrophobicContact CG2-CE2 4.49Å; V265-Y292 HydrophobicContact CG1-CD2 3.66Å; V265-Y292 HydrophobicContact CG1-CE2 4Å; V265-Y292 HydrophobicContact CG1-CG 4.06Å; V265-L297 HydrophobicContact CG1-CD2 3.92Å; V265-L297 HydrophobicContact CG2-CD1 4.35Å; V265-L297 HydrophobicContact CG2-CD2 4.21Å
266	Q	81.6	Confident	86.9	Confident	121 Å²	121	72.8 Å²	72.8	57%	0.565	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	29.2	-176.8	-67.4	-70.4	-11.2	0	0	113.2	R268 Y290 Y292	Q266-R268 PolarHBondContact O-N 3.38Å; Q266-Y290 PolarHBondContact N-OH 3.14Å; Q266-Y292 HydrophobicContact CG-CD1 3.66Å; Q266-Y292 HydrophobicContact CG-CE1 4.3Å; Q266-Y292 HydrophobicContact CG-CG 4Å
267	G	78.7	Confident	87.2	Confident	53 Å²	53	76 Å²	76	55%	0.546	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	-10.1	-179.1	0	0	0	0	0	116.2	V265	V265-G267 PolarHBondContact O-N 3.07Å
268	R	80.9	Confident	87.3	Confident	226 Å²	226	70.5 Å²	70.5	85%	0.853	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-35.7	-170.7	-66.1	-173.7	-179.7	-179	-0.1	114.7	V265 Q266 P270	V265-R268 PolarHBondContact O-N 3.18Å; V265-R268 VanDerWaalsContact O-N 3.16Å; Q266-R268 PolarHBondContact O-N 3.38Å; R268-P270 VanDerWaalsContact O-CD 3.29Å; R268-P270 WeakPolarHBondContact O-CD 3.22Å
269	I	84.5	Confident	87.4	Confident	52 Å²	52	72.7 Å²	72.7	27%	0.267	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110.3	-168.9	-57.9	168.7	0	0	0	108.9	K264 V265 M271 Y292	K264-I269 WeakPolarHBondContact CA-O 3.45Å; V265-I269 HydrophobicContact CB-CB 4.42Å; V265-I269 PolarHBondContact N-O 3.37Å; V265-I269 PolarHBondContact O-N 2.92Å; I269-M271 HydrophobicContact CG2-CG 4.25Å; I269-Y292 HydrophobicContact CD1-CE1 4.25Å; I269-Y292 HydrophobicContact CD1-CE2 4.47Å; I269-Y292 WeakPolarHBondContact CD1-OH 3.36Å
270	P	88.9	Confident	87.6	Confident	23 Å²	23	67.1 Å²	67.1	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.9	178.6	34.2	-34.9	0	0	0	109.9	M249 C251 G252 I258 F262 V263 R268	M249-P270 HydrophobicContact CE-CB 3.62Å; M249-P270 HydrophobicContact CE-CG 3.99Å; M249-P270 HydrophobicContact SD-CB 4.48Å; M249-P270 HydrophobicContact SD-CG 4.2Å; C251-P270 WeakPolarHBondContact CA-O 3.42Å; G252-P270 PolarHBondContact N-O 2.85Å; I258-P270 HydrophobicContact CD1-CB 3.64Å; I258-P270 HydrophobicContact CD1-CG 4.16Å; F262-P270 HydrophobicContact CD2-CB 4.01Å; F262-P270 HydrophobicContact CE2-CB 4.45Å; V263-P270 CarbonylContact O-C 3.56Å; V263-P270 WeakPolarHBondContact O-CA 3.4Å; R268-P270 VanDerWaalsContact O-CD 3.29Å; R268-P270 WeakPolarHBondContact O-CD 3.22Å
271	M	88.6	Confident	88	Confident	9 Å²	9	65.6 Å²	65.6	4%	0.044	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.9	178.8	-60.2	-175.8	73.2	0	0	111.3	F262 V263 V265 I269 C275 L276 L297	F262-M271 WeakPolarHBondContact CA-O 3.39Å; V263-M271 HydrophobicContact CG2-CB 3.85Å; V263-M271 WeakPolarHBondContact CG2-O 3.29Å; V263-M271 PolarHBondContact N-O 3.25Å; V263-M271 PolarHBondContact O-N 3.09Å; V265-M271 HydrophobicContact CB-SD 4.13Å; V265-M271 HydrophobicContact CG2-CG 4.25Å; V265-M271 HydrophobicContact CG2-SD 3.39Å; V265-M271 WeakPolarHBondContact CG2-SD 3.39Å; I269-M271 HydrophobicContact CG2-CG 4.25Å; M271-C275 HydrophobicContact CE-CB 4.26Å; M271-L276 HydrophobicContact SD-CD2 4.35Å; M271-L297 HydrophobicContact CE-CD1 3.71Å; M271-L297 HydrophobicContact SD-CD1 3.76Å
272	H	90.7	Very high	88.2	Confident	23 Å²	23	61.7 Å²	61.7	11%	0.106	32%	0.318	C	S	.	.			trans	-69.9	148	167.9	-57.1	102.7	0	0	0	110.7	C251 C254 F257 E274 C275 L276	C251-H272 VanDerWaalsContact CB-CE1 3.46Å; C251-H272 WeakPolarHBondContact CB-CE1 3.43Å; C251-H272 WeakPolarHBondContact CB-ND1 3.45Å; C254-H272 PolarHBondContact SG-CE1 3.42Å; C254-H272 PolarHBondContact SG-ND1 2.83Å; C254-H272 VanDerWaalsContact SG-ND1 3.36Å; F257-H272 PolarHBondContact O-NE2 3.03Å; F257-H272 VanDerWaalsContact O-NE2 3.1Å; H272-E274 HydrophobicContact CB-CG 4.01Å; H272-E274 WeakPolarHBondContact CB-OE1 3.28Å; H272-E274 IonicContact CD2-OE1 3.53Å; H272-E274 IonicContact CG-OE1 2.69Å; H272-E274 PolarHBondContact O-N 3.16Å; H272-C275 HydrophobicContact CB-CB 3.96Å; H272-C275 PolarHBondContact O-N 3.02Å; H272-L276 PolarHBondContact O-N 3.21Å
273	P	89.8	Confident	88.2	Confident	45 Å²	45	60.4 Å²	60.4	29%	0.292	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-54.4	-37.8	172.1	-24.6	34.5	0	0	0	112.9	V261	V261-P273 HydrophobicContact CG1-CG 4.32Å; V261-P273 WeakPolarHBondContact O-CD 3.39Å
274	E	90	Very high	88.3	Confident	134 Å²	134	60.4 Å²	60.4	63%	0.626	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-74.2	-21.9	175.1	59.5	-88.9	-173.6	0	0	114.4	H272	H272-E274 HydrophobicContact CB-CG 4.01Å; H272-E274 WeakPolarHBondContact CB-OE1 3.28Å; H272-E274 IonicContact CD2-OE1 3.53Å; H272-E274 IonicContact CG-OE1 2.69Å; H272-E274 PolarHBondContact O-N 3.16Å
275	C	90.7	Very high	88.4	Confident	13 Å²	13	54.6 Å²	54.6	9%	0.088	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.6	-9.9	178.9	-72.3	0	0	0	0	113.3	M271 H272 K277	M271-C275 HydrophobicContact CE-CB 4.26Å; H272-C275 HydrophobicContact CB-CB 3.96Å; H272-C275 PolarHBondContact O-N 3.02Å; C275-K277 PolarHBondContact O-N 3.34Å
276	L	90.9	Very high	88.2	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.058	33%	0.329	C	S	.	.			trans	-72.3	72	169.7	-84	177.4	0	0	0	110.7	V263 V265 M271 H272 G284 L285 L297	V263-L276 HydrophobicContact CB-CD1 3.7Å; V263-L276 HydrophobicContact CB-CG 4.42Å; V263-L276 HydrophobicContact CG1-CD1 3.78Å; V263-L276 HydrophobicContact CG2-CD1 3.19Å; V263-L276 HydrophobicContact CG2-CD2 4.06Å; V263-L276 HydrophobicContact CG2-CG 3.4Å; V263-L276 VanDerWaalsContact CG2-CG 3.4Å; V265-L276 HydrophobicContact CG2-CD2 3.53Å; M271-L276 HydrophobicContact SD-CD2 4.35Å; H272-L276 PolarHBondContact O-N 3.21Å; L276-G284 CarbonylContact O-C 3.48Å; L276-G284 WeakPolarHBondContact O-CA 3.42Å; L276-L285 PolarHBondContact O-N 3.05Å; L276-L297 HydrophobicContact CD2-CD1 3.73Å
277	K	92.6	Very high	88.4	Confident	96 Å²	96	63.1 Å²	63.1	42%	0.417	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-125.3	147.4	179.1	56.3	-174.8	175.8	-171.8	0	111.3	C275 C279 G282 I283	C275-K277 PolarHBondContact O-N 3.34Å; K277-C279 PolarHBondContact O-N 3.2Å; K277-G282 WeakPolarHBondContact CB-O 3.32Å; K277-I283 VanDerWaalsContact CA-O 3.28Å; K277-I283 WeakPolarHBondContact CA-O 3.24Å
278	C	92.3	Very high	88.6	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.007	33%	0.333	C	S	.	.			trans	-63.7	131.8	173.8	177.2	0	0	0	0	110	K280 C281 G282 I283 L285 L297 C299 H302	C278-K280 PolarHBondContact O-N 3.4Å; C278-C281 WeakPolarHBondContact CB-SG 3.36Å; C278-G282 VanDerWaalsContact O-CA 3.24Å; C278-G282 WeakPolarHBondContact O-CA 3.37Å; C278-G282 PolarHBondContact O-N 2.9Å; C278-I283 PolarHBondContact N-O 3.17Å; C278-L285 HydrophobicContact CB-CD1 4.36Å; C278-L285 HydrophobicContact CB-CD2 4.11Å; C278-L285 HydrophobicContact CB-CG 4.46Å; C278-L297 CarbonylContact C-O 3.54Å; C278-L297 WeakPolarHBondContact CA-O 3.4Å; C278-C299 HydrophobicContact CB-CB 4.17Å; C278-C299 PolarHBondContact SG-N 2.79Å; C278-H302 PolarHBondContact SG-ND1 2.83Å
279	C	89.8	Confident	88.8	Confident	66 Å²	66	56.7 Å²	56.7	45%	0.446	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.1	-178.2	86.2	0	0	0	0	113.4	K277 Q296 L297 Y298	K277-C279 PolarHBondContact O-N 3.2Å; C279-Q296 PolarHBondContact SG-OE1 3.11Å; C279-L297 PolarHBondContact N-O 3.29Å; C279-Y298 WeakPolarHBondContact SG-CE1 3.46Å
280	K	89.4	Confident	89	Confident	105 Å²	105	58.2 Å²	58.2	46%	0.457	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-44.1	-179	-75.9	-170	-169.9	-170	0	114.1	C278 Y298 H302	C278-K280 PolarHBondContact O-N 3.4Å; K280-Y298 HydrophobicContact CD-CE1 4.36Å; K280-Y298 HydrophobicContact CG-CD1 4.42Å; K280-Y298 HydrophobicContact CG-CE1 4.1Å; K280-H302 HydrophobicContact CB-CB 4.36Å; K280-H302 WeakPolarHBondContact CB-CE1 3.45Å; K280-H302 VanDerWaalsContact CB-ND1 3.32Å; K280-H302 WeakPolarHBondContact CB-ND1 3.12Å; K280-H302 HydrophobicContact CD-CB 4.04Å
281	C	91.6	Very high	89	Confident	32 Å²	32	61.6 Å²	61.6	22%	0.216	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-11.6	-179	48.5	0	0	0	0	115.1	C278 I283 H302	C278-C281 WeakPolarHBondContact CB-SG 3.36Å; C281-I283 HydrophobicContact CB-CD1 4.02Å; C281-I283 HydrophobicContact CB-CG1 3.94Å; C281-I283 PolarHBondContact O-N 3.03Å; C281-I283 VanDerWaalsContact O-N 3.15Å; C281-I283 VanDerWaalsContact SG-CD1 3.57Å; C281-H302 VanDerWaalsContact CB-CE1 3.46Å; C281-H302 WeakPolarHBondContact CB-CE1 3.15Å; C281-H302 VanDerWaalsContact SG-CE1 3.51Å; C281-H302 PolarHBondContact SG-ND1 3.44Å; C281-H302 VanDerWaalsContact SG-ND1 3.41Å
282	G	90.3	Very high	89	Confident	37 Å²	37	64.3 Å²	64.3	38%	0.381	34%	0.337	S	S	.	.			trans	70.8	1.7	-176.2	0	0	0	0	0	115.4	K277 C278 G284	K277-G282 WeakPolarHBondContact CB-O 3.32Å; C278-G282 VanDerWaalsContact O-CA 3.24Å; C278-G282 WeakPolarHBondContact O-CA 3.37Å; C278-G282 PolarHBondContact O-N 2.9Å; G282-G284 PolarHBondContact O-N 3.2Å
283	I	88	Confident	88.7	Confident	55 Å²	55	64.9 Å²	64.9	28%	0.282	34%	0.34	S	S	.	.			trans	-64.1	136.1	178.8	-58.8	170.5	0	0	0	109.7	M73 K277 C278 C281 L285 I288	M73-I283 HydrophobicContact CE-CD1 3.65Å; M73-I283 HydrophobicContact CE-CG1 3.72Å; M73-I283 HydrophobicContact SD-CD1 4.22Å; M73-I283 HydrophobicContact SD-CG1 4.13Å; K277-I283 VanDerWaalsContact CA-O 3.28Å; K277-I283 WeakPolarHBondContact CA-O 3.24Å; C278-I283 PolarHBondContact N-O 3.17Å; C281-I283 HydrophobicContact CB-CD1 4.02Å; C281-I283 HydrophobicContact CB-CG1 3.94Å; C281-I283 PolarHBondContact O-N 3.03Å; C281-I283 VanDerWaalsContact O-N 3.15Å; C281-I283 VanDerWaalsContact SG-CD1 3.57Å; I283-L285 PolarHBondContact O-N 3.17Å; I283-I288 HydrophobicContact CG2-CD1 3.65Å
284	G	90.3	Very high	88.5	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-65.4	124.2	174.8	0	0	0	0	0	112.3	L276 G282	L276-G284 CarbonylContact O-C 3.48Å; L276-G284 WeakPolarHBondContact O-CA 3.42Å; G282-G284 PolarHBondContact O-N 3.2Å
285	L	90.2	Very high	88.2	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	37%	0.368	C	S	.	.			trans	-92.1	-2.3	-172.3	-60.8	174.9	0	0	0	113.9	L276 C278 I283 N287 I288 G289 L297 C299	L276-L285 PolarHBondContact O-N 3.05Å; C278-L285 HydrophobicContact CB-CD1 4.36Å; C278-L285 HydrophobicContact CB-CD2 4.11Å; C278-L285 HydrophobicContact CB-CG 4.46Å; I283-L285 PolarHBondContact O-N 3.17Å; L285-N287 VanDerWaalsContact C-N 3.27Å; L285-N287 PolarHBondContact O-N 3.37Å; L285-I288 PolarHBondContact O-N 3.11Å; L285-G289 PolarHBondContact O-N 3.25Å; L285-G289 VanDerWaalsContact O-N 3.14Å; L285-L297 HydrophobicContact CD1-CB 3.76Å; L285-C299 HydrophobicContact CD2-CB 3.79Å
286	R	83.4	Confident	88	Confident	180 Å²	180	76 Å²	76	68%	0.679	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.9	-174.5	60.6	175.8	-65.2	-99.8	-1.6	115.2
287	N	84.8	Confident	87.9	Confident	122 Å²	122	76 Å²	76	65%	0.652	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-12.7	-176.6	-66.7	-2.5	0	0	0	113.2	L285	L285-N287 VanDerWaalsContact C-N 3.27Å; L285-N287 PolarHBondContact O-N 3.37Å
288	I	83.1	Confident	87.8	Confident	107 Å²	107	72.3 Å²	72.3	55%	0.549	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-24.5	-173.9	-56.8	172.1	0	0	0	110.3	I283 L285	I283-I288 HydrophobicContact CG2-CD1 3.65Å; L285-I288 PolarHBondContact O-N 3.11Å
289	G	84.7	Confident	87.6	Confident	37 Å²	37	72.8 Å²	72.8	38%	0.381	37%	0.371	S	S	.	.			trans	90.5	165.7	-163.7	0	0	0	0	0	110.9	L285	L285-G289 PolarHBondContact O-N 3.25Å; L285-G289 VanDerWaalsContact O-N 3.14Å
290	Y	89.1	Confident	87.5	Confident	83 Å²	83	74.5 Å²	74.5	33%	0.325	37%	0.372	S	S	.	.			trans	-141.2	153.1	-178.2	63.2	-92.2	0	0	0	111	V265 Q266 L297	V265-Y290 HydrophobicContact CG1-CD2 4.48Å; V265-Y290 HydrophobicContact CG1-CE2 3.77Å; V265-Y290 HydrophobicContact CG2-CE2 4.49Å; Q266-Y290 PolarHBondContact N-OH 3.14Å; Y290-L297 HydrophobicContact CD2-CD2 3.4Å; Y290-L297 HydrophobicContact CE2-CD2 4.08Å; Y290-L297 HydrophobicContact CG-CD2 3.83Å
291	F	88.7	Confident	87.5	Confident	95 Å²	95	73.9 Å²	73.9	42%	0.417	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.3	167.3	-65.6	-96.4	0	0	0	108.5	I293 L297 Y298 E300 A303	F291-I293 HydrophobicContact CB-CD1 4.39Å; F291-I293 HydrophobicContact CB-CG1 4.46Å; F291-L297 WeakPolarHBondContact O-CA 3.49Å; F291-Y298 PolarHBondContact N-O 3.26Å; F291-Y298 PolarHBondContact O-N 2.99Å; F291-E300 VanDerWaalsContact CE2-CA 3.5Å; F291-E300 HydrophobicContact CE2-CB 3.8Å; F291-E300 HydrophobicContact CE2-CG 3.91Å; F291-E300 HydrophobicContact CZ-CG 4.27Å; F291-A303 HydrophobicContact CB-CB 3.34Å; F291-A303 HydrophobicContact CD1-CB 4.02Å; F291-A303 HydrophobicContact CD2-CB 3.46Å; F291-A303 VanDerWaalsContact CD2-CB 3.46Å; F291-A303 HydrophobicContact CE2-CB 4.28Å; F291-A303 HydrophobicContact CG-CB 3.31Å
292	Y	88	Confident	87.5	Confident	66 Å²	66	73.9 Å²	73.9	26%	0.259	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106	178.8	-169.2	-107.7	0	0	0	109.1	V265 Q266 I269 E295 Q296 L297	V265-Y292 HydrophobicContact CG1-CD2 3.66Å; V265-Y292 HydrophobicContact CG1-CE2 4Å; V265-Y292 HydrophobicContact CG1-CG 4.06Å; Q266-Y292 HydrophobicContact CG-CD1 3.66Å; Q266-Y292 HydrophobicContact CG-CE1 4.3Å; Q266-Y292 HydrophobicContact CG-CG 4Å; I269-Y292 HydrophobicContact CD1-CE1 4.25Å; I269-Y292 HydrophobicContact CD1-CE2 4.47Å; I269-Y292 WeakPolarHBondContact CD1-OH 3.36Å; Y292-E295 VanDerWaalsContact CE2-C 3.5Å; Y292-E295 WeakPolarHBondContact CE2-O 3.01Å; Y292-E295 VanDerWaalsContact CZ-CA 3.45Å; Y292-E295 VanDerWaalsContact OH-CA 3.29Å; Y292-E295 WeakPolarHBondContact OH-CA 3.27Å; Y292-Q296 WeakPolarHBondContact CA-O 3.29Å; Y292-L297 HydrophobicContact CD2-CD2 3.85Å; Y292-L297 HydrophobicContact CD2-CG 4.21Å
293	I	86.1	Confident	87.4	Confident	34 Å²	34	72.3 Å²	72.3	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.7	-174.7	-55.3	172.5	0	0	0	107.5	F291 E295 Q296 Y298 A303 A307	F291-I293 HydrophobicContact CB-CD1 4.39Å; F291-I293 HydrophobicContact CB-CG1 4.46Å; I293-E295 VanDerWaalsContact C-N 3.31Å; I293-E295 PolarHBondContact O-N 3.48Å; I293-Q296 PolarHBondContact N-O 3.29Å; I293-Q296 PolarHBondContact O-N 3.34Å; I293-Y298 HydrophobicContact CB-CD2 4Å; I293-Y298 HydrophobicContact CB-CE2 3.98Å; I293-Y298 HydrophobicContact CD1-CD2 4.38Å; I293-Y298 HydrophobicContact CG1-CD2 4.39Å; I293-Y298 WeakPolarHBondContact O-CE2 3.5Å; I293-A303 HydrophobicContact CD1-CB 4.04Å; I293-A307 HydrophobicContact CD1-CB 4.34Å
294	K	84	Confident	87.3	Confident	168 Å²	168	76.7 Å²	76.7	73%	0.73	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	49.6	179.7	-62.1	178.5	-179.2	-179.3	0	113.3	Q296	K294-Q296 PolarHBondContact O-N 3.11Å; K294-Q296 VanDerWaalsContact O-N 3.11Å
295	E	83.3	Confident	87	Confident	165 Å²	165	80.5 Å²	80.5	77%	0.771	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	9.2	-179	-56.2	-172.5	150.2	0	0	116.7	Y292 I293	Y292-E295 VanDerWaalsContact CE2-C 3.5Å; Y292-E295 WeakPolarHBondContact CE2-O 3.01Å; Y292-E295 VanDerWaalsContact CZ-CA 3.45Å; Y292-E295 VanDerWaalsContact OH-CA 3.29Å; Y292-E295 WeakPolarHBondContact OH-CA 3.27Å; I293-E295 VanDerWaalsContact C-N 3.31Å; I293-E295 PolarHBondContact O-N 3.48Å
296	Q	86.5	Confident	86.6	Confident	93 Å²	93	81.6 Å²	81.6	44%	0.435	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.6	-179.9	-63.3	-175.9	37.5	0	0	112.1	C279 Y292 I293 K294 Y298	C279-Q296 PolarHBondContact SG-OE1 3.11Å; Y292-Q296 WeakPolarHBondContact CA-O 3.29Å; I293-Q296 PolarHBondContact N-O 3.29Å; I293-Q296 PolarHBondContact O-N 3.34Å; K294-Q296 PolarHBondContact O-N 3.11Å; K294-Q296 VanDerWaalsContact O-N 3.11Å; Q296-Y298 HydrophobicContact CB-CE2 3.7Å; Q296-Y298 PolarHBondContact OE1-OH 3.03Å
297	L	89.5	Confident	86	Confident	10 Å²	10	75 Å²	75	5%	0.052	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.8	177.4	-71.5	169.3	0	0	0	111.2	V265 M271 L276 C278 C279 L285 Y290 F291 Y292	V265-L297 HydrophobicContact CG1-CD2 3.92Å; V265-L297 HydrophobicContact CG2-CD1 4.35Å; V265-L297 HydrophobicContact CG2-CD2 4.21Å; M271-L297 HydrophobicContact CE-CD1 3.71Å; M271-L297 HydrophobicContact SD-CD1 3.76Å; L276-L297 HydrophobicContact CD2-CD1 3.73Å; C278-L297 CarbonylContact C-O 3.54Å; C278-L297 WeakPolarHBondContact CA-O 3.4Å; C279-L297 PolarHBondContact N-O 3.29Å; L285-L297 HydrophobicContact CD1-CB 3.76Å; Y290-L297 HydrophobicContact CD2-CD2 3.4Å; Y290-L297 HydrophobicContact CE2-CD2 4.08Å; Y290-L297 HydrophobicContact CG-CD2 3.83Å; F291-L297 WeakPolarHBondContact O-CA 3.49Å; Y292-L297 HydrophobicContact CD2-CD2 3.85Å; Y292-L297 HydrophobicContact CD2-CG 4.21Å
298	Y	89.6	Confident	85.2	Confident	20 Å²	20	73.8 Å²	73.8	8%	0.078	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.7	177.3	-61.7	-81.7	0	0	0	111.4	C279 K280 F291 I293 Q296 H302 A306	C279-Y298 WeakPolarHBondContact SG-CE1 3.46Å; K280-Y298 HydrophobicContact CD-CE1 4.36Å; K280-Y298 HydrophobicContact CG-CD1 4.42Å; K280-Y298 HydrophobicContact CG-CE1 4.1Å; F291-Y298 PolarHBondContact N-O 3.26Å; F291-Y298 PolarHBondContact O-N 2.99Å; I293-Y298 HydrophobicContact CB-CD2 4Å; I293-Y298 HydrophobicContact CB-CE2 3.98Å; I293-Y298 HydrophobicContact CD1-CD2 4.38Å; I293-Y298 HydrophobicContact CG1-CD2 4.39Å; I293-Y298 WeakPolarHBondContact O-CE2 3.5Å; Q296-Y298 HydrophobicContact CB-CE2 3.7Å; Q296-Y298 PolarHBondContact OE1-OH 3.03Å; Y298-H302 HydrophobicContact CD1-CB 3.82Å; Y298-H302 HydrophobicContact CG-CB 4.44Å; Y298-A306 HydrophobicContact CD1-CB 4.31Å; Y298-A306 HydrophobicContact CD2-CB 4.36Å; Y298-A306 HydrophobicContact CE1-CB 4.01Å; Y298-A306 HydrophobicContact CE2-CB 4.09Å; Y298-A306 HydrophobicContact CG-CB 4.47Å
299	C	90	Very high	84.4	Confident	11 Å²	11	74.1 Å²	74.1	7%	0.074	38%	0.383	C	S	.	.			trans	-71.2	165.5	161.8	65.5	0	0	0	0	109.7	C278 L285 T301 H302 A303	C278-C299 HydrophobicContact CB-CB 4.17Å; C278-C299 PolarHBondContact SG-N 2.79Å; L285-C299 HydrophobicContact CD2-CB 3.79Å; C299-T301 VanDerWaalsContact C-N 3.29Å; C299-T301 PolarHBondContact O-N 3.38Å; C299-H302 PolarHBondContact O-N 2.9Å; C299-H302 VanDerWaalsContact O-N 3.09Å; C299-H302 VanDerWaalsContact SG-CG 3.57Å; C299-H302 PolarHBondContact SG-ND1 3.33Å; C299-A303 VanDerWaalsContact O-CB 3.27Å; C299-A303 WeakPolarHBondContact O-CB 3.25Å; C299-A303 PolarHBondContact O-N 3.41Å
300	E	87.5	Confident	83.4	Confident	101 Å²	101	75.8 Å²	75.8	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-50.1	-46.5	-178.9	-170.3	-174.4	162.3	0	0	113.5	F291 H302 A303 K304	F291-E300 VanDerWaalsContact CE2-CA 3.5Å; F291-E300 HydrophobicContact CE2-CB 3.8Å; F291-E300 HydrophobicContact CE2-CG 3.91Å; F291-E300 HydrophobicContact CZ-CG 4.27Å; E300-H302 PolarHBondContact O-N 3.14Å; E300-A303 PolarHBondContact O-N 3.3Å; E300-K304 WeakPolarHBondContact O-CG 3.41Å; E300-K304 PolarHBondContact O-N 3.46Å; E300-K304 VanDerWaalsContact O-N 3.09Å; E300-K304 WeakPolarHBondContact OE1-CE 3.42Å; E300-K304 IonicContact OE1-NZ 3.67Å; E300-K304 PolarHBondContact OE1-NZ 3.09Å
301	T	89.6	Confident	82.4	Confident	92 Å²	92	78.5 Å²	78.5	56%	0.564	40%	0.403	S	S	*	.	H	α-helix	trans	-61.4	-45.3	179.8	-48.2	0	0	0	0	112.2	C299 Q305	C299-T301 VanDerWaalsContact C-N 3.29Å; C299-T301 PolarHBondContact O-N 3.38Å; T301-Q305 WeakPolarHBondContact O-CG 3.45Å; T301-Q305 PolarHBondContact O-N 3.09Å
302	H	90.1	Very high	81.1	Confident	33 Å²	33	81 Å²	81	15%	0.153	43%	0.428	C	S	.	.	H	α-helix	trans	-78.9	-26.2	-178.6	-68.4	151.2	0	0	0	113.2	C278 K280 C281 Y298 C299 E300 Q305 A306	C278-H302 PolarHBondContact SG-ND1 2.83Å; K280-H302 HydrophobicContact CB-CB 4.36Å; K280-H302 WeakPolarHBondContact CB-CE1 3.45Å; K280-H302 VanDerWaalsContact CB-ND1 3.32Å; K280-H302 WeakPolarHBondContact CB-ND1 3.12Å; K280-H302 HydrophobicContact CD-CB 4.04Å; C281-H302 VanDerWaalsContact CB-CE1 3.46Å; C281-H302 WeakPolarHBondContact CB-CE1 3.15Å; C281-H302 VanDerWaalsContact SG-CE1 3.51Å; C281-H302 PolarHBondContact SG-ND1 3.44Å; C281-H302 VanDerWaalsContact SG-ND1 3.41Å; Y298-H302 HydrophobicContact CD1-CB 3.82Å; Y298-H302 HydrophobicContact CG-CB 4.44Å; C299-H302 PolarHBondContact O-N 2.9Å; C299-H302 VanDerWaalsContact O-N 3.09Å; C299-H302 VanDerWaalsContact SG-CG 3.57Å; C299-H302 PolarHBondContact SG-ND1 3.33Å; E300-H302 PolarHBondContact O-N 3.14Å; H302-Q305 PolarHBondContact O-N 2.69Å; H302-A306 VanDerWaalsContact O-CB 3.25Å; H302-A306 WeakPolarHBondContact O-CB 3.39Å; H302-A306 PolarHBondContact O-N 2.66Å
303	A	88.3	Confident	80.2	Confident	4 Å²	4	81.9 Å²	81.9	3%	0.033	46%	0.457	C	S	.	.	H	α-helix	trans	-64.7	-45.6	173.2	0	0	0	0	0	110.4	F291 I293 C299 E300 Q305 A306 A307	F291-A303 HydrophobicContact CB-CB 3.34Å; F291-A303 HydrophobicContact CD1-CB 4.02Å; F291-A303 HydrophobicContact CD2-CB 3.46Å; F291-A303 VanDerWaalsContact CD2-CB 3.46Å; F291-A303 HydrophobicContact CE2-CB 4.28Å; F291-A303 HydrophobicContact CG-CB 3.31Å; I293-A303 HydrophobicContact CD1-CB 4.04Å; C299-A303 VanDerWaalsContact O-CB 3.27Å; C299-A303 WeakPolarHBondContact O-CB 3.25Å; C299-A303 PolarHBondContact O-N 3.41Å; E300-A303 PolarHBondContact O-N 3.3Å; A303-Q305 PolarHBondContact O-N 3.43Å; A303-A306 PolarHBondContact O-N 3.31Å; A303-A306 VanDerWaalsContact O-N 3.14Å; A303-A307 VanDerWaalsContact O-CB 3.22Å; A303-A307 WeakPolarHBondContact O-CB 3.22Å; A303-A307 PolarHBondContact O-N 2.75Å
304	K	86.1	Confident	79.1	Confident	146 Å²	146	86.4 Å²	86.4	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-59.6	-34.4	175.2	-71.5	175.1	-174	170.2	0	112.5	E300	E300-K304 WeakPolarHBondContact O-CG 3.41Å; E300-K304 PolarHBondContact O-N 3.46Å; E300-K304 VanDerWaalsContact O-N 3.09Å; E300-K304 WeakPolarHBondContact OE1-CE 3.42Å; E300-K304 IonicContact OE1-NZ 3.67Å; E300-K304 PolarHBondContact OE1-NZ 3.09Å
305	Q	85.2	Confident	78.1	Confident	122 Å²	122	87.6 Å²	87.6	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-78.5	-29.6	176.1	-66.2	172.4	8.4	0	0	113.8	T301 H302 A303	T301-Q305 WeakPolarHBondContact O-CG 3.45Å; T301-Q305 PolarHBondContact O-N 3.09Å; H302-Q305 PolarHBondContact O-N 2.69Å; A303-Q305 PolarHBondContact O-N 3.43Å
306	A	80.1	Confident	76.9	Confident	24 Å²	24	83.8 Å²	83.8	20%	0.198	48%	0.481	C	S	.	.	H	α-helix	trans	-92.8	-19.4	-177.8	0	0	0	0	0	112.9	Y298 H302 A303	Y298-A306 HydrophobicContact CD1-CB 4.31Å; Y298-A306 HydrophobicContact CD2-CB 4.36Å; Y298-A306 HydrophobicContact CE1-CB 4.01Å; Y298-A306 HydrophobicContact CE2-CB 4.09Å; Y298-A306 HydrophobicContact CG-CB 4.47Å; H302-A306 VanDerWaalsContact O-CB 3.25Å; H302-A306 WeakPolarHBondContact O-CB 3.39Å; H302-A306 PolarHBondContact O-N 2.66Å; A303-A306 PolarHBondContact O-N 3.31Å; A303-A306 VanDerWaalsContact O-N 3.14Å
307	A	71.9	Confident	75.6	Confident	43 Å²	43	84.9 Å²	84.9	36%	0.355	49%	0.494	S	S	.	.	S	Bend	trans	-62	130.7	175.6	0	0	0	0	0	108.9	I293 A303	I293-A307 HydrophobicContact CD1-CB 4.34Å; A303-A307 VanDerWaalsContact O-CB 3.22Å; A303-A307 WeakPolarHBondContact O-CB 3.22Å; A303-A307 PolarHBondContact O-N 2.75Å
308	P	67.6	Low	74.1	Confident	95 Å²	95	89.4 Å²	89.4	62%	0.617	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-58.6	136.7	172.2	24.3	-30.7	0	0	0	108.7
309	P	66.2	Low	72.3	Confident	114 Å²	114	94 Å²	94	74%	0.74	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-56.7	140.7	170.7	24.7	-31.8	0	0	0	108.4	E311	P309-E311 PolarHBondContact O-N 3.29Å
310	P	64.3	Low	70.4	Confident	73 Å²	73	103.5 Å²	103.5	47%	0.474	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-59.2	142.8	174.3	25.7	-32.4	0	0	0	109.1	M314	P310-M314 HydrophobicContact CB-CB 4.07Å; P310-M314 WeakPolarHBondContact CB-O 3.17Å; P310-M314 WeakPolarHBondContact CG-O 3.44Å
311	E	68.6	Low	68.1	Low	139 Å²	139	111.6 Å²	111.6	65%	0.65	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-53.1	150.2	173.3	-69.6	-166.2	151	0	0	110.5	P309 G313 M314	P309-E311 PolarHBondContact O-N 3.29Å; E311-G313 PolarHBondContact O-N 3.3Å; E311-M314 PolarHBondContact O-N 3.49Å
312	P	60.3	Low	67	Low	148 Å²	148	112.6 Å²	112.6	96%	0.961	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	101.3	179.8	-19.7	30.8	0	0	0	110.4
313	G	69.7	Low	65.8	Low	84 Å²	84	116.7 Å²	116.7	87%	0.866	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.7	-12	-176.5	0	0	0	0	0	115.9	E311	E311-G313 PolarHBondContact O-N 3.3Å
314	M	62.7	Low	64.5	Low	129 Å²	129	123 Å²	123	64%	0.635	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-102.6	131.3	177.9	-62.2	-168.7	-172.8	0	0	112	P310 E311	P310-M314 HydrophobicContact CB-CB 4.07Å; P310-M314 WeakPolarHBondContact CB-O 3.17Å; P310-M314 WeakPolarHBondContact CG-O 3.44Å; E311-M314 PolarHBondContact O-N 3.49Å
315	K	62.1	Low	63.3	Low	194 Å²	194	121.6 Å²	121.6	84%	0.843	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-93.8	121.6	174.5	-167.5	176.4	-176.9	177.7	0	109	V317	K315-V317 PolarHBondContact O-N 2.97Å
316	A	58.9	Low	61.9	Low	85 Å²	85	121.6 Å²	121.6	70%	0.702	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-63.9	124.3	174.5	0	0	0	0	0	110.2
317	V	58.5	Low	60.7	Low	116 Å²	116	128.1 Å²	128.1	70%	0.703	73%	0.726	S	S	*	*			trans	-116.8	128.2	173.8	179.3	0	0	0	0	108	K315 V319	K315-V317 PolarHBondContact O-N 2.97Å; V317-V319 PolarHBondContact O-N 2.8Å
318	V	58	Low	59.9	Low	105 Å²	105	134.2 Å²	134.2	64%	0.636	75%	0.753	S	S	*	*			trans	-74.4	112.5	174.2	-178.5	0	0	0	0	108	Y320	V318-Y320 HydrophobicContact CG1-CD2 4.47Å; V318-Y320 HydrophobicContact CG1-CE1 4.23Å; V318-Y320 HydrophobicContact CG1-CE2 4Å
319	V	52.2	Low	59.3	Low	117 Å²	117	137.2 Å²	137.2	71%	0.709	76%	0.763	S	S	*	*			trans	-94.7	114.7	173.4	-177.3	0	0	0	0	108.2	V317	V317-V319 PolarHBondContact O-N 2.8Å
320	Y	50.9	Low	58.7	Low	210 Å²	210	139.2 Å²	139.2	82%	0.824	77%	0.765	S	S	*	*			trans	-80.9	119.8	167.8	-59.6	-84.8	0	0	0	107.9	V318	V318-Y320 HydrophobicContact CG1-CD2 4.47Å; V318-Y320 HydrophobicContact CG1-CE1 4.23Å; V318-Y320 HydrophobicContact CG1-CE2 4Å
321	K	38.6	Very low	58.2	Low	270 Å²	270	145.2 Å²	145.2	100%	1.174	79%	0.791	S	S	*	*			trans	-102.9	0	167.9	-90.6	-170.7	175.5	-179.3	0	109.6

Retrieved 321 of 321 residues in 57.9 ms (Link to these results)

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