A0A077ZHH0_TRITR Loading...

LON 1 protein

AlphaFold DB , UniProt , Accession A0A077ZHH0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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	71.1	Confident	94	Very high	129 Å²	129	72.3 Å²	72.3	64%	0.635	33%	0.325	S	S	*	.				0	144.2	0	-65.8	178.3	-79.8	0	0	108.1	I60 N69 F133	M1-I60 HydrophobicContact CE-CD1 4.33Å; M1-N69 HydrophobicContact SD-CB 4.43Å; M1-F133 HydrophobicContact CB-CE2 4.29Å; M1-F133 HydrophobicContact CB-CZ 3.8Å; M1-F133 HydrophobicContact SD-CZ 4.36Å
2	R	88.4	Confident	94.4	Very high	196 Å²	196	69.6 Å²	69.6	74%	0.74	32%	0.315	S	S	*	.			trans	-123.4	140.4	175.9	-67.7	-179.2	178.8	168.8	-1.1	109	S136	R2-S136 PolarHBondContact O-N 3.04Å
3	A	96.4	Very high	94.7	Very high	18 Å²	18	71.1 Å²	71.1	15%	0.149	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-94.7	140.3	179.1	0	0	0	0	0	111	M6 F133 R134	A3-M6 HydrophobicContact CB-CB 3.87Å; A3-M6 HydrophobicContact CB-CE 4.07Å; A3-F133 HydrophobicContact CB-CB 3.81Å; A3-F133 HydrophobicContact CB-CD1 4.41Å; A3-F133 HydrophobicContact CB-CD2 3.52Å; A3-F133 HydrophobicContact CB-CE2 4.19Å; A3-F133 HydrophobicContact CB-CG 3.67Å; A3-R134 CarbonylContact C-O 3.53Å; A3-R134 WeakPolarHBondContact CA-O 2.96Å
4	S	97.2	Very high	94.8	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-90.9	-19.4	174.5	46.6	0	0	0	0	113.5	R134 C141 S142 E143	S4-R134 PolarHBondContact N-O 3.26Å; S4-R134 WeakPolarHBondContact OG-CB 3.49Å; S4-R134 PolarHBondContact OG-O 3.02Å; S4-R134 VanDerWaalsContact OG-O 3.08Å; S4-C141 CarbonylContact O-C 3.49Å; S4-C141 WeakPolarHBondContact O-CA 3.31Å; S4-C141 PolarHBondContact O-N 3.47Å; S4-S142 VanDerWaalsContact CB-OG 3.23Å; S4-S142 WeakPolarHBondContact CB-OG 3.03Å; S4-S142 PolarHBondContact O-N 2.69Å; S4-E143 VanDerWaalsContact CB-OE2 3.24Å; S4-E143 WeakPolarHBondContact CB-OE2 3.44Å; S4-E143 PolarHBondContact O-N 2.93Å; S4-E143 VanDerWaalsContact O-N 3.08Å; S4-E143 PolarHBondContact OG-OE2 3.02Å
5	N	97.5	Very high	95.1	Very high	8 Å²	8	70.4 Å²	70.4	4%	0.043	34%	0.336	C	S	.	.	S	Bend	trans	-127.5	18.7	-171	71.3	-43.2	0	0	0	114.4	K7 E85 R134 E143	N5-K7 PolarHBondContact O-N 3.48Å; N5-K7 VanDerWaalsContact O-N 3.16Å; N5-E85 PolarHBondContact ND2-OE1 3.13Å; N5-E85 VanDerWaalsContact ND2-OE1 3.17Å; N5-R134 PolarHBondContact ND2-NE 2.93Å; N5-R134 PolarHBondContact OD1-N 2.84Å; N5-E143 HydrophobicContact CB-CB 4.42Å; N5-E143 WeakPolarHBondContact CB-O 3.06Å
6	M	97.8	Very high	95.3	Very high	44 Å²	44	66.8 Å²	66.8	22%	0.217	32%	0.321	C	S	.	.			trans	-65	115.5	-175.6	-173.1	60.6	69.8	0	0	111.1	A3 I82 A84 F133 L154 C155	A3-M6 HydrophobicContact CB-CB 3.87Å; A3-M6 HydrophobicContact CB-CE 4.07Å; M6-I82 WeakPolarHBondContact CE-O 3.22Å; M6-A84 HydrophobicContact CE-CB 4.25Å; M6-A84 HydrophobicContact SD-CB 4.06Å; M6-F133 HydrophobicContact CE-CB 4.2Å; M6-F133 HydrophobicContact CE-CD1 4.21Å; M6-F133 HydrophobicContact CE-CG 4.45Å; M6-L154 HydrophobicContact CB-CD2 4.04Å; M6-L154 HydrophobicContact CG-CD2 3.62Å; M6-L154 CarbonylContact O-C 3.56Å; M6-L154 WeakPolarHBondContact O-CA 3.34Å; M6-C155 PolarHBondContact O-N 3.38Å
7	K	97.6	Very high	95.5	Very high	17 Å²	17	72.4 Å²	72.4	7%	0.074	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-76.6	149.3	177.6	-64.5	178.1	-166.1	167.5	0	112.1	N5 L9 A84 E85 E87 F148 C155	N5-K7 PolarHBondContact O-N 3.48Å; N5-K7 VanDerWaalsContact O-N 3.16Å; K7-L9 PolarHBondContact O-N 2.88Å; K7-A84 WeakPolarHBondContact CB-O 2.93Å; K7-A84 WeakPolarHBondContact CD-O 3.48Å; K7-A84 WeakPolarHBondContact CG-O 3.03Å; K7-A84 PolarHBondContact N-O 3.48Å; K7-E85 WeakPolarHBondContact CE-OE2 3.14Å; K7-E85 PolarHBondContact NZ-O 3.16Å; K7-E85 VanDerWaalsContact NZ-O 3.14Å; K7-E85 IonicContact NZ-OE2 2.69Å; K7-E85 PolarHBondContact NZ-OE2 2.82Å; K7-E87 HydrophobicContact CB-CG 4.36Å; K7-E87 HydrophobicContact CD-CG 3.3Å; K7-E87 WeakPolarHBondContact CD-OE1 3.35Å; K7-E87 WeakPolarHBondContact CE-OE1 3.46Å; K7-E87 HydrophobicContact CG-CG 4.45Å; K7-E87 IonicContact NZ-OE1 3.56Å; K7-E87 PolarHBondContact NZ-OE1 3.44Å; K7-F148 HydrophobicContact CB-CE1 4.5Å; K7-F148 HydrophobicContact CD-CE1 3.9Å; K7-F148 HydrophobicContact CD-CZ 3.87Å; K7-F148 HydrophobicContact CG-CD1 4.4Å; K7-F148 HydrophobicContact CG-CE1 4.01Å; K7-F148 HydrophobicContact CG-CZ 4.41Å; K7-C155 CarbonylContact C-O 3.16Å; K7-C155 VanDerWaalsContact CA-O 3.26Å; K7-C155 WeakPolarHBondContact CA-O 3.46Å; K7-C155 HydrophobicContact CG-CB 4.22Å
8	M	96.9	Very high	95.6	Very high	81 Å²	81	70.8 Å²	70.8	40%	0.399	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-73.6	121	168.6	-176.1	171.2	-178.8	0	0	109.2	L151 L154 C155 T156	M8-L151 HydrophobicContact SD-CD2 4.48Å; M8-L154 HydrophobicContact CB-CB 4.1Å; M8-L154 HydrophobicContact CB-CD1 4.29Å; M8-L154 HydrophobicContact CG-CD1 4.35Å; M8-C155 PolarHBondContact N-O 2.86Å; M8-T156 HydrophobicContact SD-CG2 4.06Å
9	L	96.7	Very high	95.7	Very high	74 Å²	74	67.1 Å²	67.1	39%	0.387	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-69.9	140	175	-69.2	176.8	0	0	0	111	K7 T86 E87 L89	K7-L9 PolarHBondContact O-N 2.88Å; L9-T86 HydrophobicContact CD2-CG2 3.65Å; L9-T86 WeakPolarHBondContact CD2-O 3.27Å; L9-E87 CarbonylContact C-O 3.35Å; L9-E87 WeakPolarHBondContact CA-O 3.46Å; L9-L89 HydrophobicContact CD1-CD2 4.46Å
10	Q	96.9	Very high	95.9	Very high	73 Å²	73	66.9 Å²	66.9	34%	0.341	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.8	171.4	-65.2	177	59.9	0	0	109.4	E87 L88 L89	Q10-E87 PolarHBondContact N-O 3.42Å; Q10-L88 HydrophobicContact CB-CD2 4.16Å; Q10-L88 WeakPolarHBondContact O-CA 3.49Å; Q10-L89 PolarHBondContact O-N 2.92Å
11	W	98	Very high	96	Very high	155 Å²	155	66.4 Å²	66.4	59%	0.587	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	136.8	172.4	-176.5	-102.3	0	0	0	110.1	A16 L89 C91	W11-A16 HydrophobicContact CH2-CB 3.9Å; W11-A16 HydrophobicContact CZ2-CB 3.24Å; W11-L89 CarbonylContact C-O 3.56Å; W11-L89 WeakPolarHBondContact CA-O 3.4Å; W11-C91 HydrophobicContact CH2-CB 4.11Å; W11-C91 WeakPolarHBondContact CH2-O 3.48Å; W11-C91 HydrophobicContact CZ3-CB 4.28Å
12	N	98.1	Very high	97.3	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.214	28%	0.281	C	S	.	.			trans	-123.7	117.6	174.8	-179.1	-79.2	0	0	0	110.2	E14 L15 A16 L88 L89	N12-E14 VanDerWaalsContact C-N 3.33Å; N12-E14 PolarHBondContact O-N 2.99Å; N12-E14 WeakPolarHBondContact OD1-CB 3.36Å; N12-E14 PolarHBondContact OD1-N 2.04Å; N12-E14 VanDerWaalsContact OD1-N 3.08Å; N12-L15 HydrophobicContact CB-CB 4.21Å; N12-L15 HydrophobicContact CB-CD1 4.07Å; N12-L15 HydrophobicContact CB-CG 4.11Å; N12-L15 PolarHBondContact O-N 3.41Å; N12-L15 WeakPolarHBondContact OD1-CG 3.26Å; N12-L15 PolarHBondContact OD1-N 3.2Å; N12-A16 PolarHBondContact O-N 3.4Å; N12-L88 HydrophobicContact CB-CB 3.95Å; N12-L88 HydrophobicContact CB-CD1 4.41Å; N12-L88 HydrophobicContact CB-CD2 4.39Å; N12-L88 HydrophobicContact CB-CG 4.48Å; N12-L89 PolarHBondContact N-O 2.55Å
13	S	98.3	Very high	97.7	Very high	89 Å²	89	51 Å²	51	62%	0.622	25%	0.246	S	C	*	.	H	α-helix	trans	-67.3	-30.4	-176.3	-56.7	0	0	0	0	113.4	A16 W17	S13-A16 PolarHBondContact O-N 2.78Å; S13-W17 VanDerWaalsContact O-CB 3.3Å; S13-W17 WeakPolarHBondContact O-CB 3.06Å; S13-W17 PolarHBondContact O-N 2.94Å
14	E	97.2	Very high	97.8	Very high	114 Å²	114	54.7 Å²	54.7	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-45.4	177.3	-171.6	-170.8	159.8	0	0	111.2	N12 A16 W17 K18	N12-E14 VanDerWaalsContact C-N 3.33Å; N12-E14 PolarHBondContact O-N 2.99Å; N12-E14 WeakPolarHBondContact OD1-CB 3.36Å; N12-E14 PolarHBondContact OD1-N 2.04Å; N12-E14 VanDerWaalsContact OD1-N 3.08Å; E14-A16 VanDerWaalsContact C-N 3.29Å; E14-A16 PolarHBondContact O-N 3.24Å; E14-W17 PolarHBondContact O-N 3.25Å; E14-K18 WeakPolarHBondContact O-CG 3.02Å; E14-K18 PolarHBondContact O-N 3.4Å; E14-K18 VanDerWaalsContact OE1-CE 3.28Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.74Å; E14-K18 PolarHBondContact OE1-NZ 2.82Å
15	L	98.2	Very high	97.9	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.094	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-42.5	172.8	-69.3	-175.5	0	0	0	110.9	N12 K18 A19 L88 H112 W114	N12-L15 HydrophobicContact CB-CB 4.21Å; N12-L15 HydrophobicContact CB-CD1 4.07Å; N12-L15 HydrophobicContact CB-CG 4.11Å; N12-L15 PolarHBondContact O-N 3.41Å; N12-L15 WeakPolarHBondContact OD1-CG 3.26Å; N12-L15 PolarHBondContact OD1-N 3.2Å; L15-K18 PolarHBondContact O-N 2.86Å; L15-A19 VanDerWaalsContact O-CB 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 3.07Å; L15-L88 HydrophobicContact CD1-CB 3.83Å; L15-H112 HydrophobicContact CB-CB 4.21Å; L15-H112 HydrophobicContact CD2-CB 4.07Å; L15-W114 HydrophobicContact CD1-CB 3.93Å
16	A	98.5	Very high	97.9	Very high	12 Å²	12	60.9 Å²	60.9	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-42.7	178.4	0	0	0	0	0	112.1	W11 N12 S13 E14 A19 Q20	W11-A16 HydrophobicContact CH2-CB 3.9Å; W11-A16 HydrophobicContact CZ2-CB 3.24Å; N12-A16 PolarHBondContact O-N 3.4Å; S13-A16 PolarHBondContact O-N 2.78Å; E14-A16 VanDerWaalsContact C-N 3.29Å; E14-A16 PolarHBondContact O-N 3.24Å; A16-A19 PolarHBondContact O-N 3.08Å; A16-Q20 WeakPolarHBondContact O-CB 3.47Å; A16-Q20 PolarHBondContact O-N 3.14Å
17	W	98.1	Very high	97.9	Very high	163 Å²	163	60.4 Å²	60.4	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-46.1	176	176.1	77.9	0	0	0	111.8	S13 E14 Q20 I21	S13-W17 VanDerWaalsContact O-CB 3.3Å; S13-W17 WeakPolarHBondContact O-CB 3.06Å; S13-W17 PolarHBondContact O-N 2.94Å; E14-W17 PolarHBondContact O-N 3.25Å; W17-Q20 WeakPolarHBondContact O-CB 3.49Å; W17-Q20 PolarHBondContact O-N 3Å; W17-I21 HydrophobicContact CD2-CD1 3.86Å; W17-I21 HydrophobicContact CE3-CD1 3.93Å; W17-I21 HydrophobicContact CH2-CD1 3.52Å; W17-I21 HydrophobicContact CZ2-CD1 3.46Å; W17-I21 VanDerWaalsContact CZ2-CD1 3.46Å; W17-I21 HydrophobicContact CZ3-CD1 3.76Å; W17-I21 WeakPolarHBondContact O-CG1 3.23Å; W17-I21 PolarHBondContact O-N 3.05Å
18	K	98	Very high	97.9	Very high	44 Å²	44	62.9 Å²	62.9	19%	0.191	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-41.8	175.5	-69.1	-179.6	-173.8	169.8	0	112.3	E14 L15 Q20 I21 H22	E14-K18 WeakPolarHBondContact O-CG 3.02Å; E14-K18 PolarHBondContact O-N 3.4Å; E14-K18 VanDerWaalsContact OE1-CE 3.28Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.74Å; E14-K18 PolarHBondContact OE1-NZ 2.82Å; L15-K18 PolarHBondContact O-N 2.86Å; K18-Q20 VanDerWaalsContact C-N 3.3Å; K18-Q20 PolarHBondContact O-N 2.68Å; K18-I21 PolarHBondContact O-N 2.8Å; K18-H22 PolarHBondContact O-N 2.03Å; K18-H22 VanDerWaalsContact O-N 3.12Å
19	A	98.2	Very high	98	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-39.3	175.4	0	0	0	0	0	111.6	L15 A16 H22 A23 V110	L15-A19 VanDerWaalsContact O-CB 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 3.07Å; A16-A19 PolarHBondContact O-N 3.08Å; A19-H22 PolarHBondContact O-N 2.69Å; A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 3.23Å; A19-V110 HydrophobicContact CB-CB 4.17Å; A19-V110 HydrophobicContact CB-CG1 3.96Å
20	Q	98.4	Very high	98	Very high	62 Å²	62	62.8 Å²	62.8	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-45.3	175.6	-171.8	62.7	49.2	0	0	112	A16 W17 K18 H22 A23 D24 M93 S94	A16-Q20 WeakPolarHBondContact O-CB 3.47Å; A16-Q20 PolarHBondContact O-N 3.14Å; W17-Q20 WeakPolarHBondContact O-CB 3.49Å; W17-Q20 PolarHBondContact O-N 3Å; K18-Q20 VanDerWaalsContact C-N 3.3Å; K18-Q20 PolarHBondContact O-N 2.68Å; Q20-H22 PolarHBondContact O-N 2.74Å; Q20-A23 PolarHBondContact O-N 2.9Å; Q20-A23 VanDerWaalsContact O-N 3.15Å; Q20-D24 PolarHBondContact NE2-OD1 3.16Å; Q20-D24 WeakPolarHBondContact O-CB 3.43Å; Q20-D24 VanDerWaalsContact O-CG 3.23Å; Q20-D24 PolarHBondContact O-N 2.96Å; Q20-M93 PolarHBondContact NE2-O 3.36Å; Q20-M93 VanDerWaalsContact NE2-O 3.13Å; Q20-M93 PolarHBondContact OE1-O 3.27Å; Q20-S94 PolarHBondContact NE2-OG 2.9Å
21	I	98.2	Very high	98	Very high	57 Å²	57	59.3 Å²	59.3	29%	0.292	28%	0.279	S	S	.	.	H	α-helix	trans	-54.5	-43.7	174.8	-68.9	170	0	0	0	110.9	W17 K18	W17-I21 HydrophobicContact CD2-CD1 3.86Å; W17-I21 HydrophobicContact CE3-CD1 3.93Å; W17-I21 HydrophobicContact CH2-CD1 3.52Å; W17-I21 HydrophobicContact CZ2-CD1 3.46Å; W17-I21 VanDerWaalsContact CZ2-CD1 3.46Å; W17-I21 HydrophobicContact CZ3-CD1 3.76Å; W17-I21 WeakPolarHBondContact O-CG1 3.23Å; W17-I21 PolarHBondContact O-N 3.05Å; K18-I21 PolarHBondContact O-N 2.8Å
22	H	98.3	Very high	97.8	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-71.3	-40.5	179	-172.4	66.4	0	0	0	112.5	K18 A19 Q20 D24 R25 Q29 S31 E39	K18-H22 PolarHBondContact O-N 2.03Å; K18-H22 VanDerWaalsContact O-N 3.12Å; A19-H22 PolarHBondContact O-N 2.69Å; Q20-H22 PolarHBondContact O-N 2.74Å; H22-D24 VanDerWaalsContact C-N 3.27Å; H22-D24 PolarHBondContact O-N 2.8Å; H22-R25 PolarHBondContact ND1-NH1 3.25Å; H22-R25 WeakPolarHBondContact O-CB 3.13Å; H22-R25 PolarHBondContact O-N 3.33Å; H22-R25 VanDerWaalsContact O-N 3.13Å; H22-Q29 PolarHBondContact NE2-O 2.59Å; H22-S31 VanDerWaalsContact CB-OG 3.27Å; H22-S31 WeakPolarHBondContact CB-OG 3.36Å; H22-S31 PolarHBondContact CD2-OG 3.45Å; H22-S31 PolarHBondContact ND1-OG 2.99Å; H22-E39 IonicContact CD2-OE1 3.33Å
23	A	98.3	Very high	97.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-39.2	175	0	0	0	0	0	111.8	A19 Q20 R25 C26 S94 I108 V110	A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 3.23Å; Q20-A23 PolarHBondContact O-N 2.9Å; Q20-A23 VanDerWaalsContact O-N 3.15Å; A23-R25 PolarHBondContact O-N 2.63Å; A23-C26 PolarHBondContact O-N 2.89Å; A23-S94 WeakPolarHBondContact CB-OG 3.38Å; A23-S94 WeakPolarHBondContact O-CB 3.26Å; A23-S94 PolarHBondContact O-OG 3.35Å; A23-I108 HydrophobicContact CB-CG2 4.14Å; A23-I108 VanDerWaalsContact O-CG2 3.24Å; A23-I108 WeakPolarHBondContact O-CG2 3.22Å; A23-V110 HydrophobicContact CB-CB 4.45Å; A23-V110 HydrophobicContact CB-CG2 3.88Å
24	D	98.5	Very high	96.9	Very high	96 Å²	96	60.8 Å²	60.8	51%	0.513	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.1	179.5	-69.6	-23.4	0	0	0	113.5	Q20 H22 C26 S94	Q20-D24 PolarHBondContact NE2-OD1 3.16Å; Q20-D24 WeakPolarHBondContact O-CB 3.43Å; Q20-D24 VanDerWaalsContact O-CG 3.23Å; Q20-D24 PolarHBondContact O-N 2.96Å; H22-D24 VanDerWaalsContact C-N 3.27Å; H22-D24 PolarHBondContact O-N 2.8Å; D24-C26 PolarHBondContact O-N 3.47Å; D24-S94 PolarHBondContact N-OG 2.9Å; D24-S94 VanDerWaalsContact N-OG 3.14Å; D24-S94 WeakPolarHBondContact OD1-CB 3.46Å; D24-S94 PolarHBondContact OD1-OG 2.91Å
25	R	98.2	Very high	96.5	Very high	108 Å²	108	61.8 Å²	61.8	41%	0.408	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.3	171.8	-61.4	173.8	-179.5	158.3	-0.7	112.6	H22 A23 L27 D33	H22-R25 PolarHBondContact ND1-NH1 3.25Å; H22-R25 WeakPolarHBondContact O-CB 3.13Å; H22-R25 PolarHBondContact O-N 3.33Å; H22-R25 VanDerWaalsContact O-N 3.13Å; A23-R25 PolarHBondContact O-N 2.63Å; R25-L27 HydrophobicContact CB-CB 4.33Å; R25-L27 PolarHBondContact O-N 3.08Å; R25-D33 IonicContact CZ-OD1 3.92Å; R25-D33 IonicContact CZ-OD2 2.9Å; R25-D33 IonicContact NH1-OD1 2.72Å; R25-D33 PolarHBondContact NH1-OD1 3.44Å; R25-D33 IonicContact NH1-OD2 3.5Å; R25-D33 IonicContact NH2-OD1 3.85Å; R25-D33 IonicContact NH2-OD2 3.72Å; R25-D33 PolarHBondContact NH2-OD2 2.93Å
26	C	98.1	Very high	96.2	Very high	29 Å²	29	65.3 Å²	65.3	20%	0.196	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.9	-179.9	-66.3	0	0	0	0	113	A23 D24 C96 I99 L100	A23-C26 PolarHBondContact O-N 2.89Å; D24-C26 PolarHBondContact O-N 3.47Å; C26-C96 WeakPolarHBondContact CA-SG 3.42Å; C26-C96 HydrophobicContact CB-CB 3.66Å; C26-C96 WeakPolarHBondContact CB-SG 3.49Å; C26-C96 WeakPolarHBondContact SG-CB 3.15Å; C26-C96 CovalentContact SG-SG 2.03Å; C26-C96 PolarHBondContact SG-SG 3.41Å; C26-I99 CarbonylContact O-C 3.56Å; C26-I99 WeakPolarHBondContact O-CA 3.4Å; C26-L100 PolarHBondContact O-N 3.46Å
27	L	97.8	Very high	96.1	Very high	34 Å²	34	65 Å²	65	18%	0.178	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-127.2	114.8	-173.5	177.8	59.5	0	0	0	110.1	R25 Q29 L100 I108	R25-L27 HydrophobicContact CB-CB 4.33Å; R25-L27 PolarHBondContact O-N 3.08Å; L27-Q29 VanDerWaalsContact C-N 3.28Å; L27-Q29 HydrophobicContact CD2-CG 3.88Å; L27-Q29 VanDerWaalsContact CD2-NE2 3.28Å; L27-Q29 HydrophobicContact CG-CB 4.44Å; L27-Q29 HydrophobicContact CG-CG 3.75Å; L27-Q29 PolarHBondContact O-N 3.4Å; L27-L100 HydrophobicContact CD1-CB 3.54Å; L27-L100 HydrophobicContact CD1-CD1 4.14Å; L27-L100 HydrophobicContact CD1-CG 4.49Å; L27-I108 WeakPolarHBondContact O-CD1 3.35Å
28	F	98.1	Very high	96.1	Very high	70 Å²	70	57.5 Å²	57.5	31%	0.307	28%	0.28	S	S	.	.			trans	-80.5	77.9	179.9	-167.1	-110	0	0	0	110.9	I41 A43 I99 L100 N101 A102 I108	F28-I41 HydrophobicContact CD2-CD1 4.01Å; F28-I41 HydrophobicContact CD2-CG1 4.32Å; F28-I41 HydrophobicContact CE2-CB 4.23Å; F28-I41 HydrophobicContact CE2-CD1 3.89Å; F28-I41 HydrophobicContact CE2-CG1 3.78Å; F28-I41 HydrophobicContact CG-CD1 4.41Å; F28-I41 HydrophobicContact CZ-CD1 4.18Å; F28-I41 HydrophobicContact CZ-CG1 4.13Å; F28-A43 HydrophobicContact CD2-CB 3.62Å; F28-A43 HydrophobicContact CE2-CB 3.83Å; F28-A43 HydrophobicContact CG-CB 4.32Å; F28-I99 HydrophobicContact CB-CG2 3.86Å; F28-L100 WeakPolarHBondContact CB-O 3.36Å; F28-L100 PolarHBondContact N-O 2.92Å; F28-N101 HydrophobicContact CB-CB 4.33Å; F28-A102 HydrophobicContact CB-CB 3.71Å; F28-A102 HydrophobicContact CD1-CB 4.26Å; F28-A102 HydrophobicContact CG-CB 3.95Å; F28-I108 HydrophobicContact CD2-CD1 4.37Å
29	Q	97.6	Very high	96.1	Very high	65 Å²	65	56 Å²	56	30%	0.304	27%	0.274	S	S	.	.	S	Bend	trans	-153.7	167	172.2	80	-169.8	23	0	0	109.7	H22 L27	H22-Q29 PolarHBondContact NE2-O 2.59Å; L27-Q29 VanDerWaalsContact C-N 3.28Å; L27-Q29 HydrophobicContact CD2-CG 3.88Å; L27-Q29 VanDerWaalsContact CD2-NE2 3.28Å; L27-Q29 HydrophobicContact CG-CB 4.44Å; L27-Q29 HydrophobicContact CG-CG 3.75Å; L27-Q29 PolarHBondContact O-N 3.4Å
30	H	97.3	Very high	96.2	Very high	88 Å²	88	56.1 Å²	56.1	41%	0.407	28%	0.275	S	S	.	.			trans	-67.7	144.1	176.3	-78.9	-66.4	0	0	0	113	H32 E39	H30-H32 PolarHBondContact O-N 3.18Å; H30-E39 WeakPolarHBondContact CA-OE2 3.37Å; H30-E39 WeakPolarHBondContact CB-OE2 3.4Å; H30-E39 IonicContact CE1-OE2 3.78Å; H30-E39 IonicContact CG-OE2 3.85Å; H30-E39 IonicContact ND1-OE2 2.69Å; H30-E39 PolarHBondContact ND1-OE2 2.85Å
31	S	96.8	Very high	96.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.			trans	-63.8	128.3	176	-62	0	0	0	0	111.4	H22 R34 E39 H112	H22-S31 VanDerWaalsContact CB-OG 3.27Å; H22-S31 WeakPolarHBondContact CB-OG 3.36Å; H22-S31 PolarHBondContact CD2-OG 3.45Å; H22-S31 PolarHBondContact ND1-OG 2.99Å; S31-R34 PolarHBondContact O-NH1 2.93Å; S31-E39 WeakPolarHBondContact CB-OE1 3.44Å; S31-E39 PolarHBondContact N-OE1 3.07Å; S31-E39 PolarHBondContact N-OE2 2.87Å; S31-E39 PolarHBondContact OG-OE1 3.17Å; S31-H112 PolarHBondContact OG-NE2 3.12Å
32	H	94	Very high	96.2	Very high	165 Å²	165	51.9 Å²	51.9	76%	0.764	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-28.2	174.1	-68.9	-71.1	0	0	0	112.8	H30	H30-H32 PolarHBondContact O-N 3.18Å
33	D	89.8	Confident	96.2	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	21.8	-171.7	49.9	-31.1	0	0	0	113.9	R25 H35	R25-D33 IonicContact CZ-OD1 3.92Å; R25-D33 IonicContact CZ-OD2 2.9Å; R25-D33 IonicContact NH1-OD1 2.72Å; R25-D33 PolarHBondContact NH1-OD1 3.44Å; R25-D33 IonicContact NH1-OD2 3.5Å; R25-D33 IonicContact NH2-OD1 3.85Å; R25-D33 IonicContact NH2-OD2 3.72Å; R25-D33 PolarHBondContact NH2-OD2 2.93Å; D33-H35 VanDerWaalsContact C-N 3.32Å; D33-H35 PolarHBondContact O-CD2 2.89Å; D33-H35 PolarHBondContact O-N 2.68Å; D33-H35 PolarHBondContact O-NE2 2.89Å
34	R	88.1	Confident	96.1	Very high	83 Å²	83	52.6 Å²	52.6	31%	0.313	26%	0.26	S	S	.	.	S	Bend	trans	-83.7	5.5	-175.1	72.9	-177.3	-174.2	-94	3.5	115.9	S31 S36 S37	S31-R34 PolarHBondContact O-NH1 2.93Å; R34-S36 VanDerWaalsContact C-N 3.32Å; R34-S36 PolarHBondContact O-N 3.08Å; R34-S36 VanDerWaalsContact O-N 3.15Å; R34-S37 WeakPolarHBondContact CB-OG 3.34Å; R34-S37 WeakPolarHBondContact CD-O 3.24Å; R34-S37 PolarHBondContact NE-O 3.43Å; R34-S37 VanDerWaalsContact O-CB 3.31Å; R34-S37 WeakPolarHBondContact O-CB 3.36Å; R34-S37 PolarHBondContact O-N 2.83Å; R34-S37 PolarHBondContact O-OG 3.42Å; R34-S37 VanDerWaalsContact O-OG 3.08Å
35	H	87.9	Confident	96	Very high	135 Å²	135	51.5 Å²	51.5	63%	0.625	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	49.2	175.3	-57.4	-77.1	0	0	0	114.8	D33 S37	D33-H35 VanDerWaalsContact C-N 3.32Å; D33-H35 PolarHBondContact O-CD2 2.89Å; D33-H35 PolarHBondContact O-N 2.68Å; D33-H35 PolarHBondContact O-NE2 2.89Å; H35-S37 PolarHBondContact O-N 3.04Å
36	S	91.2	Very high	95.9	Very high	91 Å²	91	51.5 Å²	51.5	64%	0.636	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	8.2	-178.7	-51.9	0	0	0	0	116.2	R34 S116	R34-S36 VanDerWaalsContact C-N 3.32Å; R34-S36 PolarHBondContact O-N 3.08Å; R34-S36 VanDerWaalsContact O-N 3.15Å; S36-S116 WeakPolarHBondContact O-CB 3.32Å; S36-S116 PolarHBondContact O-OG 3.45Å
37	S	97.3	Very high	95.7	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.035	27%	0.274	C	S	.	.			trans	-63.6	150.8	169.2	79.5	0	0	0	0	111	R34 H35 Y113	R34-S37 WeakPolarHBondContact CB-OG 3.34Å; R34-S37 WeakPolarHBondContact CD-O 3.24Å; R34-S37 PolarHBondContact NE-O 3.43Å; R34-S37 VanDerWaalsContact O-CB 3.31Å; R34-S37 WeakPolarHBondContact O-CB 3.36Å; R34-S37 PolarHBondContact O-N 2.83Å; R34-S37 PolarHBondContact O-OG 3.42Å; R34-S37 VanDerWaalsContact O-OG 3.08Å; H35-S37 PolarHBondContact O-N 3.04Å; S37-Y113 CarbonylContact C-O 3.54Å; S37-Y113 WeakPolarHBondContact CA-O 3.19Å; S37-Y113 WeakPolarHBondContact CB-O 3.39Å
38	G	98.2	Very high	95.5	Very high	6 Å²	6	54.4 Å²	54.4	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	157.9	165.3	0	0	0	0	0	109.3	Q80 H112 Y113	G38-Q80 VanDerWaalsContact CA-OE1 3.31Å; G38-H112 VanDerWaalsContact O-CA 3.26Å; G38-H112 WeakPolarHBondContact O-CA 3.48Å; G38-Y113 PolarHBondContact N-O 3.39Å; G38-Y113 PolarHBondContact O-N 2.98Å
39	E	98.5	Very high	95.2	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	133	178.4	-178.6	176	-118.4	0	0	111.9	H22 H30 S31 I41 V110 C111 H112	H22-E39 IonicContact CD2-OE1 3.33Å; H30-E39 WeakPolarHBondContact CA-OE2 3.37Å; H30-E39 WeakPolarHBondContact CB-OE2 3.4Å; H30-E39 IonicContact CE1-OE2 3.78Å; H30-E39 IonicContact CG-OE2 3.85Å; H30-E39 IonicContact ND1-OE2 2.69Å; H30-E39 PolarHBondContact ND1-OE2 2.85Å; S31-E39 WeakPolarHBondContact CB-OE1 3.44Å; S31-E39 PolarHBondContact N-OE1 3.07Å; S31-E39 PolarHBondContact N-OE2 2.87Å; S31-E39 PolarHBondContact OG-OE1 3.17Å; E39-I41 HydrophobicContact CG-CG2 3.85Å; E39-V110 HydrophobicContact CG-CG1 4.23Å; E39-V110 WeakPolarHBondContact OE1-CG1 3.44Å; E39-C111 VanDerWaalsContact CA-O 3.25Å; E39-C111 WeakPolarHBondContact CA-O 3.15Å; E39-H112 IonicContact OE1-CD2 3.63Å; E39-H112 IonicContact OE1-CE1 3.52Å; E39-H112 IonicContact OE1-NE2 2.68Å; E39-H112 PolarHBondContact OE1-NE2 2.86Å
40	N	98.6	Very high	95.1	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.5	163.1	-73.8	-16.7	0	0	0	108.9	W56 H77 C111 Y113	N40-W56 HydrophobicContact CB-CD2 3.85Å; N40-W56 HydrophobicContact CB-CE3 3.94Å; N40-W56 HydrophobicContact CB-CH2 3.67Å; N40-W56 HydrophobicContact CB-CZ2 3.55Å; N40-W56 HydrophobicContact CB-CZ3 3.86Å; N40-H77 PolarHBondContact ND2-O 3.12Å; N40-H77 WeakPolarHBondContact OD1-CA 3.42Å; N40-H77 PolarHBondContact OD1-CD2 2.84Å; N40-C111 PolarHBondContact N-O 2.72Å; N40-C111 PolarHBondContact O-N 2.76Å; N40-Y113 HydrophobicContact CB-CE2 3.87Å; N40-Y113 PolarHBondContact ND2-OH 3.16Å; N40-Y113 VanDerWaalsContact ND2-OH 3.1Å
41	I	98.3	Very high	95.1	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.062	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.5	175.5	62.9	176.5	0	0	0	110.3	F28 E39 W56 L109 V110	F28-I41 HydrophobicContact CD2-CD1 4.01Å; F28-I41 HydrophobicContact CD2-CG1 4.32Å; F28-I41 HydrophobicContact CE2-CB 4.23Å; F28-I41 HydrophobicContact CE2-CD1 3.89Å; F28-I41 HydrophobicContact CE2-CG1 3.78Å; F28-I41 HydrophobicContact CG-CD1 4.41Å; F28-I41 HydrophobicContact CZ-CD1 4.18Å; F28-I41 HydrophobicContact CZ-CG1 4.13Å; E39-I41 HydrophobicContact CG-CG2 3.85Å; I41-W56 PolarHBondContact O-NE1 3.23Å; I41-L109 CarbonylContact C-O 3.59Å; I41-L109 VanDerWaalsContact CA-O 3.31Å; I41-L109 WeakPolarHBondContact CA-O 3.41Å; I41-V110 HydrophobicContact CG2-CG1 4.3Å; I41-V110 HydrophobicContact CG2-CG2 4.15Å
42	W	98.3	Very high	95.1	Very high	19 Å²	19	57.5 Å²	57.5	7%	0.072	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.6	177	176.7	79.8	0	0	0	110.2	A44 F46 D48 A51 A52 W56 I108 L109	W42-A44 HydrophobicContact CD2-CB 4.23Å; W42-A44 HydrophobicContact CE3-CB 4.13Å; W42-A44 HydrophobicContact CH2-CB 3.11Å; W42-A44 HydrophobicContact CZ2-CB 3.18Å; W42-A44 HydrophobicContact CZ3-CB 3.59Å; W42-F46 HydrophobicContact CH2-CD2 4.04Å; W42-F46 AromaticContact CH2-CE2 3.7Å; W42-F46 HydrophobicContact CH2-CE2 3.7Å; W42-F46 HydrophobicContact CH2-CZ 4.42Å; W42-F46 AromaticContact CZ2-CE2 3.82Å; W42-F46 HydrophobicContact CZ2-CE2 3.82Å; W42-F46 HydrophobicContact CZ2-CZ 4.17Å; W42-D48 WeakPolarHBondContact CH2-O 3.35Å; W42-A51 HydrophobicContact CZ2-CB 4.21Å; W42-A52 HydrophobicContact CB-CB 3.92Å; W42-A52 HydrophobicContact CD2-CB 3.48Å; W42-A52 VanDerWaalsContact CD2-CB 3.48Å; W42-A52 HydrophobicContact CE3-CB 3.69Å; W42-A52 HydrophobicContact CG-CB 3.63Å; W42-A52 HydrophobicContact CZ2-CB 4.46Å; W42-A52 HydrophobicContact CZ3-CB 4.25Å; W42-W56 HydrophobicContact CB-CZ2 3.66Å; W42-I108 CarbonylContact O-C 3.47Å; W42-I108 VanDerWaalsContact O-CA 3.31Å; W42-I108 WeakPolarHBondContact O-CA 3.34Å; W42-L109 HydrophobicContact CB-CB 4.4Å; W42-L109 HydrophobicContact CE3-CB 4.16Å; W42-L109 PolarHBondContact N-O 2.81Å; W42-L109 PolarHBondContact O-N 3.28Å
43	A	98.1	Very high	95.3	Very high	14 Å²	14	52.8 Å²	52.8	12%	0.116	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.9	174.9	0	0	0	0	0	110.6	F28 I99 A102 H105 F107	F28-A43 HydrophobicContact CD2-CB 3.62Å; F28-A43 HydrophobicContact CE2-CB 3.83Å; F28-A43 HydrophobicContact CG-CB 4.32Å; A43-I99 HydrophobicContact CB-CD1 4.1Å; A43-A102 HydrophobicContact CB-CB 3.96Å; A43-H105 HydrophobicContact CB-CB 3.98Å; A43-H105 PolarHBondContact O-ND1 2.9Å; A43-F107 CarbonylContact C-O 3.48Å; A43-F107 VanDerWaalsContact CA-O 3.26Å; A43-F107 WeakPolarHBondContact CA-O 3.39Å
44	A	97.6	Very high	95.6	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161.6	179.6	0	0	0	0	0	113	W42 F46 H105 R106 F107	W42-A44 HydrophobicContact CD2-CB 4.23Å; W42-A44 HydrophobicContact CE3-CB 4.13Å; W42-A44 HydrophobicContact CH2-CB 3.11Å; W42-A44 HydrophobicContact CZ2-CB 3.18Å; W42-A44 HydrophobicContact CZ3-CB 3.59Å; A44-F46 HydrophobicContact CB-CD1 4.38Å; A44-F46 HydrophobicContact CB-CD2 4.38Å; A44-F46 HydrophobicContact CB-CE1 4.26Å; A44-F46 HydrophobicContact CB-CE2 4.26Å; A44-F46 HydrophobicContact CB-CG 4.44Å; A44-F46 HydrophobicContact CB-CZ 4.19Å; A44-F46 PolarHBondContact O-N 3.42Å; A44-H105 WeakPolarHBondContact CA-ND1 3.47Å; A44-R106 PolarHBondContact O-N 3.09Å; A44-F107 PolarHBondContact N-O 3.13Å; A44-F107 PolarHBondContact O-N 2.84Å
45	P	96.4	Very high	96.1	Very high	73 Å²	73	56.8 Å²	56.8	47%	0.474	31%	0.305	S	S	.	.	S	Bend	trans	-70.3	-13.1	170.2	-16.3	32.6	0	0	0	113.5	H105 F107	P45-H105 WeakPolarHBondContact CD-ND1 3.21Å; P45-F107 WeakPolarHBondContact O-CD2 3.33Å; P45-F107 WeakPolarHBondContact O-CE2 3.46Å
46	F	95.1	Very high	96.6	Very high	108 Å²	108	50.5 Å²	50.5	47%	0.474	28%	0.276	S	S	.	.	S	Bend	trans	-130.1	156.5	-173.7	53	-94.5	0	0	0	111.7	W42 A44 D48 A51	W42-F46 HydrophobicContact CH2-CD2 4.04Å; W42-F46 AromaticContact CH2-CE2 3.7Å; W42-F46 HydrophobicContact CH2-CE2 3.7Å; W42-F46 HydrophobicContact CH2-CZ 4.42Å; W42-F46 AromaticContact CZ2-CE2 3.82Å; W42-F46 HydrophobicContact CZ2-CE2 3.82Å; W42-F46 HydrophobicContact CZ2-CZ 4.17Å; A44-F46 HydrophobicContact CB-CD1 4.38Å; A44-F46 HydrophobicContact CB-CD2 4.38Å; A44-F46 HydrophobicContact CB-CE1 4.26Å; A44-F46 HydrophobicContact CB-CE2 4.26Å; A44-F46 HydrophobicContact CB-CG 4.44Å; A44-F46 HydrophobicContact CB-CZ 4.19Å; A44-F46 PolarHBondContact O-N 3.42Å; F46-D48 HydrophobicContact CD2-CB 3.78Å; F46-D48 HydrophobicContact CE2-CB 3.94Å; F46-D48 PolarHBondContact O-N 3.37Å; F46-A51 HydrophobicContact CE2-CB 4.08Å
47	A	95	Very high	96.9	Very high	58 Å²	58	50.6 Å²	50.6	48%	0.479	27%	0.265	S	S	.	.			trans	-91.6	97.5	176.9	0	0	0	0	0	110.7	M93 F107	A47-M93 HydrophobicContact CB-CE 4.21Å; A47-M93 HydrophobicContact CB-SD 4.37Å; A47-F107 HydrophobicContact CB-CD1 3.62Å; A47-F107 HydrophobicContact CB-CD2 4.38Å; A47-F107 HydrophobicContact CB-CE1 3.62Å; A47-F107 HydrophobicContact CB-CE2 4.38Å; A47-F107 HydrophobicContact CB-CG 4Å; A47-F107 HydrophobicContact CB-CZ 4.01Å
48	D	93.1	Very high	96.9	Very high	65 Å²	65	52.8 Å²	52.8	35%	0.348	28%	0.278	S	S	.	.			trans	-142.8	99.3	173.2	-174	-7.8	0	0	0	111.3	W42 F46 K50 A51 A52	W42-D48 WeakPolarHBondContact CH2-O 3.35Å; F46-D48 HydrophobicContact CD2-CB 3.78Å; F46-D48 HydrophobicContact CE2-CB 3.94Å; F46-D48 PolarHBondContact O-N 3.37Å; D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.42Å; D48-K50 WeakPolarHBondContact OD1-CA 3.39Å; D48-K50 WeakPolarHBondContact OD1-CB 3.45Å; D48-K50 PolarHBondContact OD1-N 3.29Å; D48-A51 HydrophobicContact CB-CB 3.72Å; D48-A51 VanDerWaalsContact CG-CB 3.46Å; D48-A51 PolarHBondContact O-N 2.73Å; D48-A51 PolarHBondContact OD1-N 3.33Å; D48-A51 WeakPolarHBondContact OD2-CB 3.28Å; D48-A52 PolarHBondContact O-N 3.23Å; D48-A52 VanDerWaalsContact O-N 3.16Å
49	L	92.7	Very high	96.9	Very high	87 Å²	87	54 Å²	54	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-35.6	176.5	-60.8	178.5	0	0	0	112.1	A52 V53 M93 L109	L49-A52 PolarHBondContact O-N 3.06Å; L49-V53 WeakPolarHBondContact O-CG2 3.45Å; L49-V53 PolarHBondContact O-N 3.22Å; L49-V53 VanDerWaalsContact O-N 3.11Å; L49-M93 HydrophobicContact CD2-CE 3.89Å; L49-M93 HydrophobicContact CD2-SD 3.67Å; L49-M93 HydrophobicContact CG-CE 4.17Å; L49-M93 HydrophobicContact CG-SD 4.44Å; L49-L109 HydrophobicContact CD2-CD1 3.46Å; L49-L109 VanDerWaalsContact CD2-CD1 3.46Å; L49-L109 HydrophobicContact CD2-CD2 3.75Å; L49-L109 HydrophobicContact CD2-CG 4.13Å
50	K	95.5	Very high	96.8	Very high	175 Å²	175	55.1 Å²	55.1	76%	0.761	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-37.9	179.8	-62.7	-178.4	-179.1	178.4	0	110.2	D48 K54	D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.42Å; D48-K50 WeakPolarHBondContact OD1-CA 3.39Å; D48-K50 WeakPolarHBondContact OD1-CB 3.45Å; D48-K50 PolarHBondContact OD1-N 3.29Å; K50-K54 WeakPolarHBondContact O-CB 3.35Å; K50-K54 PolarHBondContact O-N 2.99Å
51	A	96.3	Very high	96.7	Very high	26 Å²	26	61.9 Å²	61.9	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-42.4	173.8	0	0	0	0	0	111.8	W42 F46 D48 K54 L55	W42-A51 HydrophobicContact CZ2-CB 4.21Å; F46-A51 HydrophobicContact CE2-CB 4.08Å; D48-A51 HydrophobicContact CB-CB 3.72Å; D48-A51 VanDerWaalsContact CG-CB 3.46Å; D48-A51 PolarHBondContact O-N 2.73Å; D48-A51 PolarHBondContact OD1-N 3.33Å; D48-A51 WeakPolarHBondContact OD2-CB 3.28Å; A51-K54 PolarHBondContact O-N 2.81Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.34Å; A51-L55 PolarHBondContact O-N 2.97Å
52	A	97.2	Very high	96.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-52.2	177.2	0	0	0	0	0	112	W42 D48 L49 K54 L55 W56 L109	W42-A52 HydrophobicContact CB-CB 3.92Å; W42-A52 HydrophobicContact CD2-CB 3.48Å; W42-A52 VanDerWaalsContact CD2-CB 3.48Å; W42-A52 HydrophobicContact CE3-CB 3.69Å; W42-A52 HydrophobicContact CG-CB 3.63Å; W42-A52 HydrophobicContact CZ2-CB 4.46Å; W42-A52 HydrophobicContact CZ3-CB 4.25Å; D48-A52 PolarHBondContact O-N 3.23Å; D48-A52 VanDerWaalsContact O-N 3.16Å; L49-A52 PolarHBondContact O-N 3.06Å; A52-K54 VanDerWaalsContact C-N 3.32Å; A52-K54 PolarHBondContact O-N 2.71Å; A52-L55 WeakPolarHBondContact O-CB 3.3Å; A52-L55 PolarHBondContact O-N 2.9Å; A52-W56 HydrophobicContact CB-CH2 4.47Å; A52-W56 HydrophobicContact CB-CZ2 4.42Å; A52-W56 PolarHBondContact O-N 3.32Å; A52-L109 HydrophobicContact CB-CD2 3.48Å; A52-L109 VanDerWaalsContact CB-CD2 3.48Å
53	V	97.3	Very high	96.2	Very high	66 Å²	66	75.2 Å²	75.2	40%	0.4	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-40.3	179	176.7	0	0	0	0	111.3	L49 L55 W56 F57	L49-V53 WeakPolarHBondContact O-CG2 3.45Å; L49-V53 PolarHBondContact O-N 3.22Å; L49-V53 VanDerWaalsContact O-N 3.11Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.45Å; V53-W56 HydrophobicContact CG2-CE3 4.22Å; V53-W56 HydrophobicContact CG2-CZ3 4.11Å; V53-W56 PolarHBondContact O-N 2.88Å; V53-F57 WeakPolarHBondContact O-CB 3.38Å; V53-F57 PolarHBondContact O-N 2.82Å
54	K	97.8	Very high	96.1	Very high	147 Å²	147	84.3 Å²	84.3	64%	0.639	41%	0.41	S	S	*	.	H	α-helix	trans	-60.5	-45.6	175	-176.8	178.4	179.7	-177.9	0	110.8	K50 A51 A52 F57 T58	K50-K54 WeakPolarHBondContact O-CB 3.35Å; K50-K54 PolarHBondContact O-N 2.99Å; A51-K54 PolarHBondContact O-N 2.81Å; A52-K54 VanDerWaalsContact C-N 3.32Å; A52-K54 PolarHBondContact O-N 2.71Å; K54-F57 PolarHBondContact O-N 3.08Å; K54-T58 HydrophobicContact CG-CG2 4.14Å; K54-T58 WeakPolarHBondContact O-CB 3.44Å; K54-T58 WeakPolarHBondContact O-CG2 3.46Å; K54-T58 PolarHBondContact O-N 3.15Å; K54-T58 PolarHBondContact O-OG1 2.79Å
55	L	97.4	Very high	96	Very high	88 Å²	88	84.7 Å²	84.7	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-51	179.3	-176.1	148.5	0	0	0	111	A51 A52 V53 F57 T58	A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.34Å; A51-L55 PolarHBondContact O-N 2.97Å; A52-L55 WeakPolarHBondContact O-CB 3.3Å; A52-L55 PolarHBondContact O-N 2.9Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.45Å; L55-F57 VanDerWaalsContact C-N 3.34Å; L55-F57 PolarHBondContact O-N 3.36Å; L55-T58 WeakPolarHBondContact CA-OG1 3.39Å; L55-T58 PolarHBondContact O-N 3.08Å; L55-T58 PolarHBondContact O-OG1 2.91Å
56	W	98.3	Very high	95.9	Very high	2 Å²	2	83 Å²	83	1%	0.008	41%	0.407	C	S	.	.	H	α-helix	trans	-58.1	-46.1	175.7	-60.9	-32.5	0	0	0	111.7	N40 I41 W42 A52 V53 T58 E59 H77 Y78 V81 L109 C111	N40-W56 HydrophobicContact CB-CD2 3.85Å; N40-W56 HydrophobicContact CB-CE3 3.94Å; N40-W56 HydrophobicContact CB-CH2 3.67Å; N40-W56 HydrophobicContact CB-CZ2 3.55Å; N40-W56 HydrophobicContact CB-CZ3 3.86Å; I41-W56 PolarHBondContact O-NE1 3.23Å; W42-W56 HydrophobicContact CB-CZ2 3.66Å; A52-W56 HydrophobicContact CB-CH2 4.47Å; A52-W56 HydrophobicContact CB-CZ2 4.42Å; A52-W56 PolarHBondContact O-N 3.32Å; V53-W56 HydrophobicContact CG2-CE3 4.22Å; V53-W56 HydrophobicContact CG2-CZ3 4.11Å; V53-W56 PolarHBondContact O-N 2.88Å; W56-T58 VanDerWaalsContact C-N 3.31Å; W56-T58 PolarHBondContact O-N 3.35Å; W56-E59 WeakPolarHBondContact O-CG 3.24Å; W56-E59 PolarHBondContact O-N 3.26Å; W56-H77 HydrophobicContact CB-CB 3.68Å; W56-H77 VanDerWaalsContact CD1-CB 3.46Å; W56-H77 AromaticContact CD1-CD2 3.94Å; W56-H77 AromaticContact CD1-CG 3.64Å; W56-H77 HydrophobicContact CG-CB 3.68Å; W56-Y78 VanDerWaalsContact O-CA 3.29Å; W56-Y78 WeakPolarHBondContact O-CA 3.47Å; W56-Y78 VanDerWaalsContact O-CB 3.26Å; W56-Y78 WeakPolarHBondContact O-CB 3.42Å; W56-Y78 PolarHBondContact O-N 3.01Å; W56-V81 HydrophobicContact CB-CG2 4.14Å; W56-V81 HydrophobicContact CE3-CG2 4.31Å; W56-L109 HydrophobicContact CH2-CD2 3.66Å; W56-L109 HydrophobicContact CH2-CG 4.14Å; W56-L109 HydrophobicContact CZ2-CD2 4.33Å; W56-L109 HydrophobicContact CZ3-CD2 4.33Å; W56-C111 HydrophobicContact CH2-CB 4.19Å; W56-C111 HydrophobicContact CZ3-CB 4.36Å
57	F	97.6	Very high	95.9	Very high	93 Å²	93	78.6 Å²	78.6	41%	0.408	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-35.9	-179.4	-171.3	-91.9	0	0	0	112.4	V53 K54 L55 E59 I60 Y78 V81 I82	V53-F57 WeakPolarHBondContact O-CB 3.38Å; V53-F57 PolarHBondContact O-N 2.82Å; K54-F57 PolarHBondContact O-N 3.08Å; L55-F57 VanDerWaalsContact C-N 3.34Å; L55-F57 PolarHBondContact O-N 3.36Å; F57-E59 PolarHBondContact O-N 2.89Å; F57-I60 VanDerWaalsContact O-CG2 3.25Å; F57-I60 WeakPolarHBondContact O-CG2 3.24Å; F57-I60 PolarHBondContact O-N 3.46Å; F57-Y78 HydrophobicContact CD2-CD2 4.15Å; F57-Y78 HydrophobicContact CD2-CE2 4.16Å; F57-Y78 HydrophobicContact CE2-CD2 4.45Å; F57-Y78 AromaticContact CE2-CE2 3.99Å; F57-Y78 HydrophobicContact CE2-CE2 3.99Å; F57-Y78 HydrophobicContact CG-CD2 4.47Å; F57-Y78 HydrophobicContact CZ-CE2 4.36Å; F57-Y78 VanDerWaalsContact O-CD2 3.28Å; F57-Y78 WeakPolarHBondContact O-CD2 3.44Å; F57-V81 HydrophobicContact CD2-CG1 4.14Å; F57-I82 HydrophobicContact CD2-CG2 4.25Å; F57-I82 HydrophobicContact CE2-CG2 3.85Å
58	T	97.4	Very high	95.9	Very high	52 Å²	52	78.1 Å²	78.1	32%	0.319	38%	0.381	S	S	.	.	H	α-helix	trans	-73.8	-5.8	-175.9	52.6	0	0	0	0	114.9	K54 L55 W56 I60 F61	K54-T58 HydrophobicContact CG-CG2 4.14Å; K54-T58 WeakPolarHBondContact O-CB 3.44Å; K54-T58 WeakPolarHBondContact O-CG2 3.46Å; K54-T58 PolarHBondContact O-N 3.15Å; K54-T58 PolarHBondContact O-OG1 2.79Å; L55-T58 WeakPolarHBondContact CA-OG1 3.39Å; L55-T58 PolarHBondContact O-N 3.08Å; L55-T58 PolarHBondContact O-OG1 2.91Å; W56-T58 VanDerWaalsContact C-N 3.31Å; W56-T58 PolarHBondContact O-N 3.35Å; T58-I60 PolarHBondContact O-N 3.11Å; T58-I60 VanDerWaalsContact O-N 3.11Å; T58-F61 HydrophobicContact CG2-CD2 4.03Å; T58-F61 HydrophobicContact CG2-CE2 4.15Å; T58-F61 WeakPolarHBondContact O-CB 3.43Å; T58-F61 PolarHBondContact O-N 2.85Å
59	E	97.8	Very high	96	Very high	32 Å²	32	75.1 Å²	75.1	15%	0.15	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-57.6	-24.9	171.3	-59.1	178.7	148.3	0	0	112	W56 F57 F61 D62 C67 C75 H77 Y78	W56-E59 WeakPolarHBondContact O-CG 3.24Å; W56-E59 PolarHBondContact O-N 3.26Å; F57-E59 PolarHBondContact O-N 2.89Å; E59-F61 PolarHBondContact O-N 3.43Å; E59-F61 VanDerWaalsContact O-N 3.1Å; E59-D62 WeakPolarHBondContact O-CB 3.41Å; E59-D62 PolarHBondContact O-N 2.88Å; E59-C67 PolarHBondContact O-SG 2.97Å; E59-C75 HydrophobicContact CB-CB 3.62Å; E59-C75 WeakPolarHBondContact OE2-CA 3.33Å; E59-H77 IonicContact OE1-CE1 4Å; E59-H77 IonicContact OE1-CG 2.84Å; E59-H77 IonicContact OE1-ND1 2.79Å; E59-H77 PolarHBondContact OE1-ND1 2.52Å; E59-H77 WeakPolarHBondContact OE2-CA 3.42Å; E59-H77 WeakPolarHBondContact OE2-CB 3.39Å; E59-H77 PolarHBondContact OE2-N 2.93Å; E59-H77 VanDerWaalsContact OE2-N 3.07Å; E59-H77 IonicContact OE2-ND1 3.62Å; E59-Y78 PolarHBondContact OE2-N 3.43Å
60	I	96.6	Very high	96.1	Very high	34 Å²	34	75.7 Å²	75.7	17%	0.174	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-56	-26.3	172.5	-168.6	49.7	0	0	0	113.4	M1 F57 T58 C67 Y78	M1-I60 HydrophobicContact CE-CD1 4.33Å; F57-I60 VanDerWaalsContact O-CG2 3.25Å; F57-I60 WeakPolarHBondContact O-CG2 3.24Å; F57-I60 PolarHBondContact O-N 3.46Å; T58-I60 PolarHBondContact O-N 3.11Å; T58-I60 VanDerWaalsContact O-N 3.11Å; I60-C67 HydrophobicContact CD1-CB 3.74Å; I60-C67 WeakPolarHBondContact CD1-O 3.34Å; I60-Y78 HydrophobicContact CB-CD1 4.22Å; I60-Y78 HydrophobicContact CB-CD2 3.97Å; I60-Y78 HydrophobicContact CB-CE1 4.03Å; I60-Y78 HydrophobicContact CB-CE2 3.75Å; I60-Y78 HydrophobicContact CB-CG 4.19Å; I60-Y78 HydrophobicContact CD1-CD1 4.31Å; I60-Y78 HydrophobicContact CD1-CE1 3.58Å; I60-Y78 HydrophobicContact CG1-CE1 4.04Å; I60-Y78 HydrophobicContact CG1-CE2 4.15Å; I60-Y78 HydrophobicContact CG2-CE2 4.26Å
61	F	96.3	Very high	96.1	Very high	146 Å²	146	70 Å²	70	64%	0.64	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-90.2	-2.2	-179.5	-56.9	-63.4	0	0	0	113.2	T58 E59 R63	T58-F61 HydrophobicContact CG2-CD2 4.03Å; T58-F61 HydrophobicContact CG2-CE2 4.15Å; T58-F61 WeakPolarHBondContact O-CB 3.43Å; T58-F61 PolarHBondContact O-N 2.85Å; E59-F61 PolarHBondContact O-N 3.43Å; E59-F61 VanDerWaalsContact O-N 3.1Å; F61-R63 PolarHBondContact O-N 3.01Å
62	D	94	Very high	96.1	Very high	67 Å²	67	72.1 Å²	72.1	36%	0.358	34%	0.341	S	S	.	.			trans	-70.1	100.5	173.4	-174.9	0.4	0	0	0	110.5	E59 K64 C65 G66	E59-D62 WeakPolarHBondContact O-CB 3.41Å; E59-D62 PolarHBondContact O-N 2.88Å; D62-K64 PolarHBondContact O-N 2.05Å; D62-K64 WeakPolarHBondContact OD1-CB 3.31Å; D62-K64 PolarHBondContact OD1-N 3.06Å; D62-C65 HydrophobicContact CB-CB 4.12Å; D62-C65 PolarHBondContact O-N 2.79Å; D62-G66 PolarHBondContact O-N 3.1Å
63	R	93.4	Very high	96	Very high	244 Å²	244	77.9 Å²	77.9	92%	0.921	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.3	177.7	-63.7	-175.4	-177.5	-179.3	0.8	112.8	F61	F61-R63 PolarHBondContact O-N 3.01Å
64	K	95.7	Very high	95.9	Very high	205 Å²	205	78 Å²	78	89%	0.891	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-37.3	178.7	-61.7	-177.1	179.9	178.8	0	111.4	D62	D62-K64 PolarHBondContact O-N 2.05Å; D62-K64 WeakPolarHBondContact OD1-CB 3.31Å; D62-K64 PolarHBondContact OD1-N 3.06Å
65	C	94.6	Very high	95.9	Very high	11 Å²	11	71 Å²	71	7%	0.074	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-31.3	176.8	-173.2	0	0	0	0	112.3	D62 C67 K72 C74 C75	D62-C65 HydrophobicContact CB-CB 4.12Å; D62-C65 PolarHBondContact O-N 2.79Å; C65-C67 PolarHBondContact SG-SG 3.09Å; C65-K72 WeakPolarHBondContact O-CD 3.09Å; C65-K72 PolarHBondContact O-NZ 3.24Å; C65-C74 HydrophobicContact CB-CB 3.77Å; C65-C74 WeakPolarHBondContact CB-SG 3.22Å; C65-C74 WeakPolarHBondContact SG-CB 3.31Å; C65-C74 CovalentContact SG-SG 2.01Å; C65-C74 PolarHBondContact SG-SG 3.37Å; C65-C75 PolarHBondContact SG-SG 2.98Å
66	G	94.4	Very high	95.9	Very high	37 Å²	37	67.2 Å²	67.2	38%	0.381	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	47.5	179.8	0	0	0	0	0	111.7	D62 K72	D62-G66 PolarHBondContact O-N 3.1Å; G66-K72 PolarHBondContact O-NZ 2.87Å
67	C	95.5	Very high	95.9	Very high	15 Å²	15	69.6 Å²	69.6	10%	0.101	35%	0.345	C	S	.	.			trans	-64.4	146.1	-174.9	-64.8	0	0	0	0	112.9	E59 I60 C65 C75	E59-C67 PolarHBondContact O-SG 2.97Å; I60-C67 HydrophobicContact CD1-CB 3.74Å; I60-C67 WeakPolarHBondContact CD1-O 3.34Å; C65-C67 PolarHBondContact SG-SG 3.09Å; C67-C75 HydrophobicContact CB-CB 4.01Å; C67-C75 WeakPolarHBondContact CB-SG 3.48Å; C67-C75 WeakPolarHBondContact SG-CB 3.11Å; C67-C75 CovalentContact SG-SG 2.03Å; C67-C75 PolarHBondContact SG-SG 2.94Å
68	T	94.7	Very high	96	Very high	49 Å²	49	65.8 Å²	65.8	30%	0.301	33%	0.328	S	S	.	.			trans	-136.1	-161.3	172.7	64.6	0	0	0	0	107.4	Y70 Y78	T68-Y70 PolarHBondContact O-N 3.33Å; T68-Y70 WeakPolarHBondContact OG1-CD2 3.05Å; T68-Y70 PolarHBondContact OG1-N 3.46Å; T68-Y78 WeakPolarHBondContact O-CE1 3.3Å
69	N	95.1	Very high	96	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.011	31%	0.313	C	S	.	.	S	Bend	trans	-75.7	11.8	170.4	66.5	-53.9	0	0	0	113.6	M1 I82 P131 A132 F133 R135	M1-N69 HydrophobicContact SD-CB 4.43Å; N69-I82 HydrophobicContact CB-CD1 4.41Å; N69-P131 WeakPolarHBondContact ND2-CB 3.41Å; N69-P131 CarbonylContact O-C 3.55Å; N69-P131 WeakPolarHBondContact O-CA 2.97Å; N69-A132 WeakPolarHBondContact O-CB 3.45Å; N69-A132 PolarHBondContact O-N 3.24Å; N69-F133 HydrophobicContact CB-CD1 4.09Å; N69-F133 HydrophobicContact CB-CE1 3.6Å; N69-F133 HydrophobicContact CB-CE2 4.29Å; N69-F133 HydrophobicContact CB-CZ 3.7Å; N69-F133 PolarHBondContact ND2-O 3.03Å; N69-R135 PolarHBondContact OD1-NH2 3.26Å
70	Y	96	Very high	96	Very high	99 Å²	99	61.9 Å²	61.9	39%	0.388	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-106.9	141.5	177.8	-69.8	-98.1	0	0	0	110.8	T68 K72 T79 A129 P131	T68-Y70 PolarHBondContact O-N 3.33Å; T68-Y70 WeakPolarHBondContact OG1-CD2 3.05Å; T68-Y70 PolarHBondContact OG1-N 3.46Å; Y70-K72 PolarHBondContact O-N 3Å; Y70-T79 WeakPolarHBondContact O-CG2 3.4Å; Y70-A129 HydrophobicContact CD1-CB 4.46Å; Y70-A129 VanDerWaalsContact CD1-O 3.27Å; Y70-A129 WeakPolarHBondContact CD1-O 3.47Å; Y70-P131 HydrophobicContact CD1-CB 4.23Å; Y70-P131 HydrophobicContact CE1-CB 3.83Å; Y70-P131 HydrophobicContact CE1-CG 4.19Å; Y70-P131 HydrophobicContact CE2-CB 4.24Å
71	F	95.6	Very high	96.1	Very high	55 Å²	55	62.1 Å²	62.1	24%	0.241	31%	0.309	C	S	.	.			trans	-58.2	132.6	177.6	171.1	-114.8	0	0	0	111.7	P73 N118 V120 A129	F71-P73 HydrophobicContact CZ-CG 4.43Å; F71-N118 HydrophobicContact CB-CB 4.21Å; F71-N118 HydrophobicContact CD1-CB 4.32Å; F71-N118 HydrophobicContact CD2-CB 3.5Å; F71-N118 HydrophobicContact CE2-CB 3.9Å; F71-N118 HydrophobicContact CG-CB 3.74Å; F71-N118 HydrophobicContact CZ-CB 4.45Å; F71-V120 HydrophobicContact CD1-CG1 3.94Å; F71-V120 HydrophobicContact CE1-CG1 4.43Å; F71-A129 HydrophobicContact CB-CB 4.12Å; F71-A129 WeakPolarHBondContact O-CB 3.41Å
72	K	95.6	Very high	96.2	Very high	70 Å²	70	56 Å²	56	30%	0.304	28%	0.283	S	S	.	.			trans	-135.9	144.9	164.5	-66.2	-178	172.4	-179.5	0	107.8	C65 G66 Y70 C74 C75 G76	C65-K72 WeakPolarHBondContact O-CD 3.09Å; C65-K72 PolarHBondContact O-NZ 3.24Å; G66-K72 PolarHBondContact O-NZ 2.87Å; Y70-K72 PolarHBondContact O-N 3Å; K72-C74 PolarHBondContact O-N 3.34Å; K72-C74 VanDerWaalsContact O-N 3.12Å; K72-C75 CarbonylContact O-C 3.5Å; K72-C75 PolarHBondContact O-N 3.44Å; K72-G76 PolarHBondContact O-N 3.06Å
73	P	94.7	Very high	96.4	Very high	121 Å²	121	53.5 Å²	53.5	79%	0.786	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-52.7	-36.9	176.5	-29	35.9	0	0	0	113.7	F71 C75	F71-P73 HydrophobicContact CZ-CG 4.43Å; P73-C75 VanDerWaalsContact C-N 3.29Å; P73-C75 PolarHBondContact O-N 3.39Å
74	C	96.3	Very high	96.6	Very high	68 Å²	68	41.9 Å²	41.9	46%	0.459	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-77.1	-5.5	179.3	49.6	0	0	0	0	115.2	C65 K72	C65-C74 HydrophobicContact CB-CB 3.77Å; C65-C74 WeakPolarHBondContact CB-SG 3.22Å; C65-C74 WeakPolarHBondContact SG-CB 3.31Å; C65-C74 CovalentContact SG-SG 2.01Å; C65-C74 PolarHBondContact SG-SG 3.37Å; K72-C74 PolarHBondContact O-N 3.34Å; K72-C74 VanDerWaalsContact O-N 3.12Å
75	C	97.4	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-142.6	40.7	169.7	50.2	0	0	0	0	113.9	E59 C65 C67 K72 P73 H77 T79	E59-C75 HydrophobicContact CB-CB 3.62Å; E59-C75 WeakPolarHBondContact OE2-CA 3.33Å; C65-C75 PolarHBondContact SG-SG 2.98Å; C67-C75 HydrophobicContact CB-CB 4.01Å; C67-C75 WeakPolarHBondContact CB-SG 3.48Å; C67-C75 WeakPolarHBondContact SG-CB 3.11Å; C67-C75 CovalentContact SG-SG 2.03Å; C67-C75 PolarHBondContact SG-SG 2.94Å; K72-C75 CarbonylContact O-C 3.5Å; K72-C75 PolarHBondContact O-N 3.44Å; P73-C75 VanDerWaalsContact C-N 3.29Å; P73-C75 PolarHBondContact O-N 3.39Å; C75-H77 VanDerWaalsContact C-N 3.27Å; C75-H77 PolarHBondContact O-N 3.26Å; C75-T79 PolarHBondContact O-N 2.79Å; C75-T79 VanDerWaalsContact O-N 3.09Å; C75-T79 PolarHBondContact O-OG1 2.9Å
76	G	97.9	Very high	96.8	Very high	10 Å²	10	35 Å²	35	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-32.6	177	0	0	0	0	0	113	K72 T79 Q80 N118	K72-G76 PolarHBondContact O-N 3.06Å; G76-T79 WeakPolarHBondContact CA-OG1 3.41Å; G76-T79 PolarHBondContact O-OG1 3.47Å; G76-Q80 WeakPolarHBondContact O-CB 3.26Å; G76-Q80 PolarHBondContact O-N 3.48Å; G76-N118 PolarHBondContact O-ND2 3.43Å
77	H	98.4	Very high	96.9	Very high	52 Å²	52	35 Å²	35	24%	0.241	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-45	-179.3	-51	107	0	0	0	110.8	N40 W56 E59 C75 Q80 V81	N40-H77 PolarHBondContact ND2-O 3.12Å; N40-H77 WeakPolarHBondContact OD1-CA 3.42Å; N40-H77 PolarHBondContact OD1-CD2 2.84Å; W56-H77 HydrophobicContact CB-CB 3.68Å; W56-H77 VanDerWaalsContact CD1-CB 3.46Å; W56-H77 AromaticContact CD1-CD2 3.94Å; W56-H77 AromaticContact CD1-CG 3.64Å; W56-H77 HydrophobicContact CG-CB 3.68Å; E59-H77 IonicContact OE1-CE1 4Å; E59-H77 IonicContact OE1-CG 2.84Å; E59-H77 IonicContact OE1-ND1 2.79Å; E59-H77 PolarHBondContact OE1-ND1 2.52Å; E59-H77 WeakPolarHBondContact OE2-CA 3.42Å; E59-H77 WeakPolarHBondContact OE2-CB 3.39Å; E59-H77 PolarHBondContact OE2-N 2.93Å; E59-H77 VanDerWaalsContact OE2-N 3.07Å; E59-H77 IonicContact OE2-ND1 3.62Å; C75-H77 VanDerWaalsContact C-N 3.27Å; C75-H77 PolarHBondContact O-N 3.26Å; H77-Q80 PolarHBondContact O-N 3.31Å; H77-V81 WeakPolarHBondContact O-CG2 3.25Å; H77-V81 PolarHBondContact O-N 3.36Å
78	Y	98.3	Very high	97	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-52.8	173.2	164.8	-109.8	0	0	0	111.4	W56 F57 E59 I60 T68 Q80 V81 I82	W56-Y78 VanDerWaalsContact O-CA 3.29Å; W56-Y78 WeakPolarHBondContact O-CA 3.47Å; W56-Y78 VanDerWaalsContact O-CB 3.26Å; W56-Y78 WeakPolarHBondContact O-CB 3.42Å; W56-Y78 PolarHBondContact O-N 3.01Å; F57-Y78 HydrophobicContact CD2-CD2 4.15Å; F57-Y78 HydrophobicContact CD2-CE2 4.16Å; F57-Y78 HydrophobicContact CE2-CD2 4.45Å; F57-Y78 AromaticContact CE2-CE2 3.99Å; F57-Y78 HydrophobicContact CE2-CE2 3.99Å; F57-Y78 HydrophobicContact CG-CD2 4.47Å; F57-Y78 HydrophobicContact CZ-CE2 4.36Å; F57-Y78 VanDerWaalsContact O-CD2 3.28Å; F57-Y78 WeakPolarHBondContact O-CD2 3.44Å; E59-Y78 PolarHBondContact OE2-N 3.43Å; I60-Y78 HydrophobicContact CB-CD1 4.22Å; I60-Y78 HydrophobicContact CB-CD2 3.97Å; I60-Y78 HydrophobicContact CB-CE1 4.03Å; I60-Y78 HydrophobicContact CB-CE2 3.75Å; I60-Y78 HydrophobicContact CB-CG 4.19Å; I60-Y78 HydrophobicContact CD1-CD1 4.31Å; I60-Y78 HydrophobicContact CD1-CE1 3.58Å; I60-Y78 HydrophobicContact CG1-CE1 4.04Å; I60-Y78 HydrophobicContact CG1-CE2 4.15Å; I60-Y78 HydrophobicContact CG2-CE2 4.26Å; T68-Y78 WeakPolarHBondContact O-CE1 3.3Å; Y78-Q80 VanDerWaalsContact C-N 3.28Å; Y78-Q80 PolarHBondContact O-N 3.17Å; Y78-V81 WeakPolarHBondContact O-CB 3.31Å; Y78-V81 PolarHBondContact O-N 3.5Å; Y78-I82 HydrophobicContact CD1-CD1 4.4Å; Y78-I82 HydrophobicContact CD2-CG1 4.49Å; Y78-I82 HydrophobicContact CD2-CG2 4.22Å; Y78-I82 HydrophobicContact CE1-CD1 3.58Å; Y78-I82 HydrophobicContact CE1-CG1 4.11Å; Y78-I82 HydrophobicContact CE2-CD1 4.1Å; Y78-I82 HydrophobicContact CE2-CG1 4.12Å; Y78-I82 HydrophobicContact CE2-CG2 3.7Å; Y78-I82 VanDerWaalsContact CZ-CD1 3.42Å; Y78-I82 VanDerWaalsContact O-CG1 3.3Å; Y78-I82 WeakPolarHBondContact O-CG1 3.39Å; Y78-I82 PolarHBondContact O-N 3.47Å; Y78-I82 VanDerWaalsContact O-N 3.09Å; Y78-I82 WeakPolarHBondContact OH-CD1 3.49Å
79	T	98	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-33.2	-175.9	39.9	0	0	0	0	112.4	Y70 C75 G76 W83 N118	Y70-T79 WeakPolarHBondContact O-CG2 3.4Å; C75-T79 PolarHBondContact O-N 2.79Å; C75-T79 VanDerWaalsContact O-N 3.09Å; C75-T79 PolarHBondContact O-OG1 2.9Å; G76-T79 WeakPolarHBondContact CA-OG1 3.41Å; G76-T79 PolarHBondContact O-OG1 3.47Å; T79-W83 PolarHBondContact O-N 2.89Å; T79-N118 VanDerWaalsContact CB-OD1 3.3Å; T79-N118 WeakPolarHBondContact CB-OD1 3.33Å; T79-N118 PolarHBondContact OG1-OD1 2.88Å
80	Q	98.5	Very high	97.4	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-41.3	170	-179.2	59.6	83.6	0	0	112.7	G38 G76 H77 Y78 I82 W83 T86 Y113 N118	G38-Q80 VanDerWaalsContact CA-OE1 3.31Å; G76-Q80 WeakPolarHBondContact O-CB 3.26Å; G76-Q80 PolarHBondContact O-N 3.48Å; H77-Q80 PolarHBondContact O-N 3.31Å; Y78-Q80 VanDerWaalsContact C-N 3.28Å; Y78-Q80 PolarHBondContact O-N 3.17Å; Q80-I82 VanDerWaalsContact C-N 3.27Å; Q80-I82 PolarHBondContact O-N 3.11Å; Q80-W83 WeakPolarHBondContact O-CB 3.3Å; Q80-W83 PolarHBondContact O-N 3.47Å; Q80-T86 PolarHBondContact NE2-OG1 3.31Å; Q80-Y113 HydrophobicContact CG-CD1 4.08Å; Q80-Y113 HydrophobicContact CG-CD2 3.51Å; Q80-Y113 HydrophobicContact CG-CE1 4.25Å; Q80-Y113 HydrophobicContact CG-CE2 3.73Å; Q80-Y113 HydrophobicContact CG-CG 3.72Å; Q80-N118 PolarHBondContact N-OD1 2.68Å
81	V	98.1	Very high	97.5	Very high	38 Å²	38	32.5 Å²	32.5	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-35.3	178.5	167.6	0	0	0	0	111.9	W56 F57 H77 Y78	W56-V81 HydrophobicContact CB-CG2 4.14Å; W56-V81 HydrophobicContact CE3-CG2 4.31Å; F57-V81 HydrophobicContact CD2-CG1 4.14Å; H77-V81 WeakPolarHBondContact O-CG2 3.25Å; H77-V81 PolarHBondContact O-N 3.36Å; Y78-V81 WeakPolarHBondContact O-CB 3.31Å; Y78-V81 PolarHBondContact O-N 3.5Å
82	I	97.4	Very high	97.6	Very high	17 Å²	17	30 Å²	30	9%	0.087	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	18.4	-178	62.4	144.8	0	0	0	113.6	M6 F57 N69 Y78 Q80 A84 A132 F133	M6-I82 WeakPolarHBondContact CE-O 3.22Å; F57-I82 HydrophobicContact CD2-CG2 4.25Å; F57-I82 HydrophobicContact CE2-CG2 3.85Å; N69-I82 HydrophobicContact CB-CD1 4.41Å; Y78-I82 HydrophobicContact CD1-CD1 4.4Å; Y78-I82 HydrophobicContact CD2-CG1 4.49Å; Y78-I82 HydrophobicContact CD2-CG2 4.22Å; Y78-I82 HydrophobicContact CE1-CD1 3.58Å; Y78-I82 HydrophobicContact CE1-CG1 4.11Å; Y78-I82 HydrophobicContact CE2-CD1 4.1Å; Y78-I82 HydrophobicContact CE2-CG1 4.12Å; Y78-I82 HydrophobicContact CE2-CG2 3.7Å; Y78-I82 VanDerWaalsContact CZ-CD1 3.42Å; Y78-I82 VanDerWaalsContact O-CG1 3.3Å; Y78-I82 WeakPolarHBondContact O-CG1 3.39Å; Y78-I82 PolarHBondContact O-N 3.47Å; Y78-I82 VanDerWaalsContact O-N 3.09Å; Y78-I82 WeakPolarHBondContact OH-CD1 3.49Å; Q80-I82 VanDerWaalsContact C-N 3.27Å; Q80-I82 PolarHBondContact O-N 3.11Å; I82-A84 PolarHBondContact O-N 3.25Å; I82-A132 HydrophobicContact CD1-CB 3.81Å; I82-A132 HydrophobicContact CG1-CB 3.95Å; I82-F133 HydrophobicContact CD1-CD1 3.81Å; I82-F133 HydrophobicContact CD1-CE1 3.57Å
83	W	98.4	Very high	97.7	Very high	15 Å²	15	29.7 Å²	29.7	6%	0.057	17%	0.168	C	C	.	.			trans	-79.3	104	-175.9	-161.3	-90.5	0	0	0	111.6	T79 Q80 E85 T86 G117 W119 L130 A132	T79-W83 PolarHBondContact O-N 2.89Å; Q80-W83 WeakPolarHBondContact O-CB 3.3Å; Q80-W83 PolarHBondContact O-N 3.47Å; W83-E85 VanDerWaalsContact C-N 3.25Å; W83-E85 PolarHBondContact O-N 3.37Å; W83-T86 WeakPolarHBondContact CB-OG1 3.18Å; W83-T86 VanDerWaalsContact O-CB 3.24Å; W83-T86 WeakPolarHBondContact O-CB 3.27Å; W83-T86 PolarHBondContact O-N 2.93Å; W83-T86 PolarHBondContact O-OG1 2.81Å; W83-T86 VanDerWaalsContact O-OG1 3.09Å; W83-G117 VanDerWaalsContact CE2-CA 3.46Å; W83-W119 HydrophobicContact CH2-CB 4.17Å; W83-W119 VanDerWaalsContact CH2-N 3.34Å; W83-W119 HydrophobicContact CZ2-CB 3.98Å; W83-W119 AromaticContact CZ2-CD1 3.61Å; W83-W119 HydrophobicContact CZ2-CG 4.2Å; W83-L130 HydrophobicContact CH2-CB 4.21Å; W83-A132 CarbonylContact C-O 3.58Å; W83-A132 WeakPolarHBondContact CA-O 3.42Å; W83-A132 HydrophobicContact CD2-CB 4.2Å; W83-A132 HydrophobicContact CE3-CB 3.48Å; W83-A132 VanDerWaalsContact CE3-CB 3.48Å; W83-A132 HydrophobicContact CZ3-CB 3.9Å
84	A	98	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29	-171.7	0	0	0	0	0	114.8	M6 K7 I82 T86 A132 F133	M6-A84 HydrophobicContact CE-CB 4.25Å; M6-A84 HydrophobicContact SD-CB 4.06Å; K7-A84 WeakPolarHBondContact CB-O 2.93Å; K7-A84 WeakPolarHBondContact CD-O 3.48Å; K7-A84 WeakPolarHBondContact CG-O 3.03Å; K7-A84 PolarHBondContact N-O 3.48Å; I82-A84 PolarHBondContact O-N 3.25Å; A84-T86 VanDerWaalsContact C-N 3.3Å; A84-A132 WeakPolarHBondContact CB-O 3.43Å; A84-A132 PolarHBondContact N-O 3.39Å; A84-F133 HydrophobicContact CB-CB 3.65Å
85	E	97.2	Very high	98	Very high	67 Å²	67	30.8 Å²	30.8	31%	0.313	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.7	178.3	-66.5	-55.8	139.9	0	0	113.2	N5 K7 W83 E87 P115	N5-E85 PolarHBondContact ND2-OE1 3.13Å; N5-E85 VanDerWaalsContact ND2-OE1 3.17Å; K7-E85 WeakPolarHBondContact CE-OE2 3.14Å; K7-E85 PolarHBondContact NZ-O 3.16Å; K7-E85 VanDerWaalsContact NZ-O 3.14Å; K7-E85 IonicContact NZ-OE2 2.69Å; K7-E85 PolarHBondContact NZ-OE2 2.82Å; W83-E85 VanDerWaalsContact C-N 3.25Å; W83-E85 PolarHBondContact O-N 3.37Å; E85-E87 PolarHBondContact O-N 3.43Å; E85-P115 WeakPolarHBondContact O-CD 3.48Å
86	T	98.2	Very high	98	Very high	4 Å²	4	31 Å²	31	3%	0.025	15%	0.149	C	C	.	.			trans	-65.1	130.3	175.2	-51.6	0	0	0	0	109.6	L9 Q80 W83 A84 Y113 P115	L9-T86 HydrophobicContact CD2-CG2 3.65Å; L9-T86 WeakPolarHBondContact CD2-O 3.27Å; Q80-T86 PolarHBondContact NE2-OG1 3.31Å; W83-T86 WeakPolarHBondContact CB-OG1 3.18Å; W83-T86 VanDerWaalsContact O-CB 3.24Å; W83-T86 WeakPolarHBondContact O-CB 3.27Å; W83-T86 PolarHBondContact O-N 2.93Å; W83-T86 PolarHBondContact O-OG1 2.81Å; W83-T86 VanDerWaalsContact O-OG1 3.09Å; A84-T86 VanDerWaalsContact C-N 3.3Å; T86-Y113 HydrophobicContact CG2-CD1 4.1Å; T86-Y113 HydrophobicContact CG2-CG 4.45Å; T86-P115 PolarHBondContact OG1-O 3.23Å
87	E	96.4	Very high	98	Very high	38 Å²	38	35.9 Å²	35.9	18%	0.178	18%	0.182	C	C	.	.			trans	-116.3	-30.9	-180	-72.4	179.8	-138.9	0	0	112.4	K7 L9 Q10 E85 W114 F148	K7-E87 HydrophobicContact CB-CG 4.36Å; K7-E87 HydrophobicContact CD-CG 3.3Å; K7-E87 WeakPolarHBondContact CD-OE1 3.35Å; K7-E87 WeakPolarHBondContact CE-OE1 3.46Å; K7-E87 HydrophobicContact CG-CG 4.45Å; K7-E87 IonicContact NZ-OE1 3.56Å; K7-E87 PolarHBondContact NZ-OE1 3.44Å; L9-E87 CarbonylContact C-O 3.35Å; L9-E87 WeakPolarHBondContact CA-O 3.46Å; Q10-E87 PolarHBondContact N-O 3.42Å; E85-E87 PolarHBondContact O-N 3.43Å; E87-W114 PolarHBondContact N-O 3.43Å; E87-F148 HydrophobicContact CG-CZ 4.48Å
88	L	97.9	Very high	97.9	Very high	44 Å²	44	39.1 Å²	39.1	23%	0.23	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.8	-172.3	-55.3	179.4	0	0	0	110.3	Q10 N12 L15 Y113 W114	Q10-L88 HydrophobicContact CB-CD2 4.16Å; Q10-L88 WeakPolarHBondContact O-CA 3.49Å; N12-L88 HydrophobicContact CB-CB 3.95Å; N12-L88 HydrophobicContact CB-CD1 4.41Å; N12-L88 HydrophobicContact CB-CD2 4.39Å; N12-L88 HydrophobicContact CB-CG 4.48Å; L15-L88 HydrophobicContact CD1-CB 3.83Å; L88-Y113 WeakPolarHBondContact O-CA 3.46Å; L88-W114 HydrophobicContact CB-CB 4.19Å; L88-W114 PolarHBondContact N-O 3.09Å; L88-W114 PolarHBondContact O-N 3.2Å
89	L	98.4	Very high	97.9	Very high	38 Å²	38	38.6 Å²	38.6	20%	0.199	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.7	176	175.7	68.9	0	0	0	109.2	L9 Q10 W11 N12 C111 H112 Y113	L9-L89 HydrophobicContact CD1-CD2 4.46Å; Q10-L89 PolarHBondContact O-N 2.92Å; W11-L89 CarbonylContact C-O 3.56Å; W11-L89 WeakPolarHBondContact CA-O 3.4Å; N12-L89 PolarHBondContact N-O 2.55Å; L89-C111 HydrophobicContact CD1-CB 4.14Å; L89-H112 WeakPolarHBondContact CA-O 3.34Å; L89-Y113 HydrophobicContact CD1-CD1 3.72Å; L89-Y113 HydrophobicContact CD1-CE1 3.47Å; L89-Y113 VanDerWaalsContact CD1-CE1 3.47Å; L89-Y113 HydrophobicContact CD1-CE2 4.4Å; L89-Y113 HydrophobicContact CD1-CG 4.29Å
90	G	98.3	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	138.8	166.8	0	0	0	0	0	110.1	C111 H112	G90-C111 CarbonylContact O-C 3.53Å; G90-C111 WeakPolarHBondContact O-CA 3.28Å; G90-H112 PolarHBondContact N-O 3.14Å; G90-H112 PolarHBondContact O-N 2.97Å
91	C	98.4	Very high	97.8	Very high	30 Å²	30	48.4 Å²	48.4	20%	0.203	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.8	-179	-53.4	0	0	0	0	111.5	W11 L109 V110 C111	W11-C91 HydrophobicContact CH2-CB 4.11Å; W11-C91 WeakPolarHBondContact CH2-O 3.48Å; W11-C91 HydrophobicContact CZ3-CB 4.28Å; C91-L109 HydrophobicContact CB-CD1 4.01Å; C91-V110 CarbonylContact C-O 3.57Å; C91-V110 WeakPolarHBondContact CA-O 3.25Å; C91-V110 WeakPolarHBondContact CB-O 3.4Å; C91-C111 HydrophobicContact CB-CB 4.1Å; C91-C111 WeakPolarHBondContact CB-SG 3.26Å; C91-C111 WeakPolarHBondContact SG-CB 3.31Å; C91-C111 CovalentContact SG-SG 2.05Å; C91-C111 PolarHBondContact SG-SG 3.42Å
92	G	98	Very high	97.8	Very high	3 Å²	3	47 Å²	47	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.7	172.3	0	0	0	0	0	110.7	L109 V110	G92-L109 WeakPolarHBondContact O-CD1 3.32Å; G92-V110 PolarHBondContact N-O 2.89Å; G92-V110 PolarHBondContact O-N 2.89Å
93	M	98.2	Very high	97.7	Very high	64 Å²	64	51.4 Å²	51.4	32%	0.315	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136	-179.1	-178.3	165.4	63.1	0	0	110.6	Q20 A47 L49 I108 L109	Q20-M93 PolarHBondContact NE2-O 3.36Å; Q20-M93 VanDerWaalsContact NE2-O 3.13Å; Q20-M93 PolarHBondContact OE1-O 3.27Å; A47-M93 HydrophobicContact CB-CE 4.21Å; A47-M93 HydrophobicContact CB-SD 4.37Å; L49-M93 HydrophobicContact CD2-CE 3.89Å; L49-M93 HydrophobicContact CD2-SD 3.67Å; L49-M93 HydrophobicContact CG-CE 4.17Å; L49-M93 HydrophobicContact CG-SD 4.44Å; M93-I108 VanDerWaalsContact CA-O 3.26Å; M93-I108 WeakPolarHBondContact CA-O 3.39Å; M93-I108 WeakPolarHBondContact CG-O 3.02Å; M93-L109 HydrophobicContact CB-CD1 4.22Å
94	S	98.3	Very high	97.6	Very high	8 Å²	8	53.2 Å²	53.2	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.6	-178.7	-51	0	0	0	0	110.7	Q20 A23 D24 F107 I108	Q20-S94 PolarHBondContact NE2-OG 2.9Å; A23-S94 WeakPolarHBondContact CB-OG 3.38Å; A23-S94 WeakPolarHBondContact O-CB 3.26Å; A23-S94 PolarHBondContact O-OG 3.35Å; D24-S94 PolarHBondContact N-OG 2.9Å; D24-S94 VanDerWaalsContact N-OG 3.14Å; D24-S94 WeakPolarHBondContact OD1-CB 3.46Å; D24-S94 PolarHBondContact OD1-OG 2.91Å; S94-F107 WeakPolarHBondContact O-CA 3.29Å; S94-I108 PolarHBondContact N-O 3.27Å; S94-I108 PolarHBondContact O-N 3.15Å
95	R	98.3	Very high	97.5	Very high	204 Å²	204	56.1 Å²	56.1	77%	0.77	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.5	168.2	-176.7	-179.9	174.4	178.9	-2.1	108.6	R106 F107	R95-R106 CarbonylContact C-O 3.55Å; R95-R106 WeakPolarHBondContact CA-O 3.04Å; R95-F107 HydrophobicContact CB-CD1 3.97Å; R95-F107 HydrophobicContact CB-CE1 3.66Å; R95-F107 HydrophobicContact CB-CZ 4.36Å; R95-F107 HydrophobicContact CG-CD1 4.23Å; R95-F107 HydrophobicContact CG-CE1 3.69Å; R95-F107 HydrophobicContact CG-CZ 3.88Å
96	C	98.2	Very high	97.5	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.034	31%	0.309	C	S	.	.			trans	-109.5	144.1	-176.8	-59.7	0	0	0	0	110.6	C26 Q98 I99 R106	C26-C96 WeakPolarHBondContact CA-SG 3.42Å; C26-C96 HydrophobicContact CB-CB 3.66Å; C26-C96 WeakPolarHBondContact CB-SG 3.49Å; C26-C96 WeakPolarHBondContact SG-CB 3.15Å; C26-C96 CovalentContact SG-SG 2.03Å; C26-C96 PolarHBondContact SG-SG 3.41Å; C96-Q98 WeakPolarHBondContact CB-O 3.43Å; C96-I99 HydrophobicContact CB-CG1 3.65Å; C96-R106 PolarHBondContact N-O 3.39Å; C96-R106 WeakPolarHBondContact O-CD 3.21Å
97	S	96.9	Very high	97.5	Very high	112 Å²	112	59.5 Å²	59.5	78%	0.783	32%	0.316	S	S	*	.	S	Bend	trans	-62.8	-37.8	167.7	53.7	0	0	0	0	111	R106	S97-R106 VanDerWaalsContact O-CD 3.29Å; S97-R106 WeakPolarHBondContact O-CD 3.37Å; S97-R106 VanDerWaalsContact O-CZ 3.23Å; S97-R106 PolarHBondContact O-NE 2.77Å
98	Q	96.8	Very high	97.6	Very high	120 Å²	120	57.7 Å²	57.7	56%	0.561	31%	0.307	S	S	*	.			trans	-148	144.2	171.7	176.3	176.1	-18.8	0	0	109	C96	C96-Q98 WeakPolarHBondContact CB-O 3.43Å
99	I	98.2	Very high	97.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.297	C	S	.	.			trans	-104.8	120.7	170	-58.2	169.3	0	0	0	108	C26 F28 A43 C96 A102 H105 F107 I108	C26-I99 CarbonylContact O-C 3.56Å; C26-I99 WeakPolarHBondContact O-CA 3.4Å; F28-I99 HydrophobicContact CB-CG2 3.86Å; A43-I99 HydrophobicContact CB-CD1 4.1Å; C96-I99 HydrophobicContact CB-CG1 3.65Å; I99-A102 HydrophobicContact CB-CB 4.12Å; I99-A102 HydrophobicContact CG2-CB 3.79Å; I99-A102 CarbonylContact O-C 3.6Å; I99-A102 PolarHBondContact O-N 3.07Å; I99-H105 HydrophobicContact CD1-CB 3.84Å; I99-F107 VanDerWaalsContact CD1-C 3.49Å; I99-F107 WeakPolarHBondContact CD1-O 3.47Å; I99-I108 HydrophobicContact CD1-CB 3.92Å; I99-I108 HydrophobicContact CG2-CD1 4.23Å
100	L	97.7	Very high	97.6	Very high	93 Å²	93	54 Å²	54	49%	0.487	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-63.1	140.1	174	-63	177.9	0	0	0	109.6	C26 L27 F28 A102	C26-L100 PolarHBondContact O-N 3.46Å; L27-L100 HydrophobicContact CD1-CB 3.54Å; L27-L100 HydrophobicContact CD1-CD1 4.14Å; L27-L100 HydrophobicContact CD1-CG 4.49Å; F28-L100 WeakPolarHBondContact CB-O 3.36Å; F28-L100 PolarHBondContact N-O 2.92Å; L100-A102 PolarHBondContact O-N 3.23Å
101	N	97.3	Very high	97.7	Very high	116 Å²	116	54.1 Å²	54.1	62%	0.62	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	9.3	-173	-54	-26.6	0	0	0	115.8	F28	F28-N101 HydrophobicContact CB-CB 4.33Å
102	A	97	Very high	97.7	Very high	7 Å²	7	52.8 Å²	52.8	6%	0.058	28%	0.28	C	S	.	.			trans	-143.1	69.6	175.6	0	0	0	0	0	111.6	F28 A43 I99 L100 H105	F28-A102 HydrophobicContact CB-CB 3.71Å; F28-A102 HydrophobicContact CD1-CB 4.26Å; F28-A102 HydrophobicContact CG-CB 3.95Å; A43-A102 HydrophobicContact CB-CB 3.96Å; I99-A102 HydrophobicContact CB-CB 4.12Å; I99-A102 HydrophobicContact CG2-CB 3.79Å; I99-A102 CarbonylContact O-C 3.6Å; I99-A102 PolarHBondContact O-N 3.07Å; L100-A102 PolarHBondContact O-N 3.23Å; A102-H105 HydrophobicContact CB-CB 4.33Å; A102-H105 WeakPolarHBondContact O-CB 3.31Å; A102-H105 PolarHBondContact O-CD2 2.03Å; A102-H105 PolarHBondContact O-N 2.74Å
103	P	95.1	Very high	97.7	Very high	111 Å²	111	53.1 Å²	53.1	72%	0.721	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	144.2	179.2	-22.4	33.6	0	0	0	112.8	H105	P103-H105 PolarHBondContact O-CD2 3.48Å; P103-H105 PolarHBondContact O-N 3.03Å
104	G	95.8	Very high	97.7	Very high	53 Å²	53	55.5 Å²	55.5	55%	0.546	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-13.1	-179.4	0	0	0	0	0	115.2
105	H	97.3	Very high	97.7	Very high	60 Å²	60	57.2 Å²	57.2	28%	0.278	30%	0.297	S	S	.	.			trans	-88.8	155.4	176.3	-56.9	-69.3	0	0	0	112	A43 A44 P45 I99 A102 P103	A43-H105 HydrophobicContact CB-CB 3.98Å; A43-H105 PolarHBondContact O-ND1 2.9Å; A44-H105 WeakPolarHBondContact CA-ND1 3.47Å; P45-H105 WeakPolarHBondContact CD-ND1 3.21Å; I99-H105 HydrophobicContact CD1-CB 3.84Å; A102-H105 HydrophobicContact CB-CB 4.33Å; A102-H105 WeakPolarHBondContact O-CB 3.31Å; A102-H105 PolarHBondContact O-CD2 2.03Å; A102-H105 PolarHBondContact O-N 2.74Å; P103-H105 PolarHBondContact O-CD2 3.48Å; P103-H105 PolarHBondContact O-N 3.03Å
106	R	97	Very high	97.6	Very high	104 Å²	104	48.3 Å²	48.3	39%	0.392	27%	0.266	S	S	.	.			trans	-136.7	-15	-175.6	-65.9	-64.7	-177.9	-89.3	4.2	113.8	A44 R95 C96 S97	A44-R106 PolarHBondContact O-N 3.09Å; R95-R106 CarbonylContact C-O 3.55Å; R95-R106 WeakPolarHBondContact CA-O 3.04Å; C96-R106 PolarHBondContact N-O 3.39Å; C96-R106 WeakPolarHBondContact O-CD 3.21Å; S97-R106 VanDerWaalsContact O-CD 3.29Å; S97-R106 WeakPolarHBondContact O-CD 3.37Å; S97-R106 VanDerWaalsContact O-CZ 3.23Å; S97-R106 PolarHBondContact O-NE 2.77Å
107	F	98.5	Very high	97.6	Very high	38 Å²	38	48.5 Å²	48.5	17%	0.167	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.8	176	-65.2	-88.8	0	0	0	109	A43 A44 P45 A47 S94 R95 I99	A43-F107 CarbonylContact C-O 3.48Å; A43-F107 VanDerWaalsContact CA-O 3.26Å; A43-F107 WeakPolarHBondContact CA-O 3.39Å; A44-F107 PolarHBondContact N-O 3.13Å; A44-F107 PolarHBondContact O-N 2.84Å; P45-F107 WeakPolarHBondContact O-CD2 3.33Å; P45-F107 WeakPolarHBondContact O-CE2 3.46Å; A47-F107 HydrophobicContact CB-CD1 3.62Å; A47-F107 HydrophobicContact CB-CD2 4.38Å; A47-F107 HydrophobicContact CB-CE1 3.62Å; A47-F107 HydrophobicContact CB-CE2 4.38Å; A47-F107 HydrophobicContact CB-CG 4Å; A47-F107 HydrophobicContact CB-CZ 4.01Å; S94-F107 WeakPolarHBondContact O-CA 3.29Å; R95-F107 HydrophobicContact CB-CD1 3.97Å; R95-F107 HydrophobicContact CB-CE1 3.66Å; R95-F107 HydrophobicContact CB-CZ 4.36Å; R95-F107 HydrophobicContact CG-CD1 4.23Å; R95-F107 HydrophobicContact CG-CE1 3.69Å; R95-F107 HydrophobicContact CG-CZ 3.88Å; I99-F107 VanDerWaalsContact CD1-C 3.49Å; I99-F107 WeakPolarHBondContact CD1-O 3.47Å
108	I	98.2	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.8	173.5	-172.2	166.8	0	0	0	108.8	A23 L27 F28 W42 M93 S94 I99 V110	A23-I108 HydrophobicContact CB-CG2 4.14Å; A23-I108 VanDerWaalsContact O-CG2 3.24Å; A23-I108 WeakPolarHBondContact O-CG2 3.22Å; L27-I108 WeakPolarHBondContact O-CD1 3.35Å; F28-I108 HydrophobicContact CD2-CD1 4.37Å; W42-I108 CarbonylContact O-C 3.47Å; W42-I108 VanDerWaalsContact O-CA 3.31Å; W42-I108 WeakPolarHBondContact O-CA 3.34Å; M93-I108 VanDerWaalsContact CA-O 3.26Å; M93-I108 WeakPolarHBondContact CA-O 3.39Å; M93-I108 WeakPolarHBondContact CG-O 3.02Å; S94-I108 PolarHBondContact N-O 3.27Å; S94-I108 PolarHBondContact O-N 3.15Å; I99-I108 HydrophobicContact CD1-CB 3.92Å; I99-I108 HydrophobicContact CG2-CD1 4.23Å; I108-V110 HydrophobicContact CG1-CG2 4.44Å
109	L	98.5	Very high	97.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.9	173	173.7	65.9	0	0	0	108.4	I41 W42 L49 A52 W56 C91 G92 M93	I41-L109 CarbonylContact C-O 3.59Å; I41-L109 VanDerWaalsContact CA-O 3.31Å; I41-L109 WeakPolarHBondContact CA-O 3.41Å; W42-L109 HydrophobicContact CB-CB 4.4Å; W42-L109 HydrophobicContact CE3-CB 4.16Å; W42-L109 PolarHBondContact N-O 2.81Å; W42-L109 PolarHBondContact O-N 3.28Å; L49-L109 HydrophobicContact CD2-CD1 3.46Å; L49-L109 VanDerWaalsContact CD2-CD1 3.46Å; L49-L109 HydrophobicContact CD2-CD2 3.75Å; L49-L109 HydrophobicContact CD2-CG 4.13Å; A52-L109 HydrophobicContact CB-CD2 3.48Å; A52-L109 VanDerWaalsContact CB-CD2 3.48Å; W56-L109 HydrophobicContact CH2-CD2 3.66Å; W56-L109 HydrophobicContact CH2-CG 4.14Å; W56-L109 HydrophobicContact CZ2-CD2 4.33Å; W56-L109 HydrophobicContact CZ3-CD2 4.33Å; C91-L109 HydrophobicContact CB-CD1 4.01Å; G92-L109 WeakPolarHBondContact O-CD1 3.32Å; M93-L109 HydrophobicContact CB-CD1 4.22Å
110	V	98.4	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.8	172.9	-178.3	0	0	0	0	107.2	A19 A23 E39 I41 C91 G92 I108	A19-V110 HydrophobicContact CB-CB 4.17Å; A19-V110 HydrophobicContact CB-CG1 3.96Å; A23-V110 HydrophobicContact CB-CB 4.45Å; A23-V110 HydrophobicContact CB-CG2 3.88Å; E39-V110 HydrophobicContact CG-CG1 4.23Å; E39-V110 WeakPolarHBondContact OE1-CG1 3.44Å; I41-V110 HydrophobicContact CG2-CG1 4.3Å; I41-V110 HydrophobicContact CG2-CG2 4.15Å; C91-V110 CarbonylContact C-O 3.57Å; C91-V110 WeakPolarHBondContact CA-O 3.25Å; C91-V110 WeakPolarHBondContact CB-O 3.4Å; G92-V110 PolarHBondContact N-O 2.89Å; G92-V110 PolarHBondContact O-N 2.89Å; I108-V110 HydrophobicContact CG1-CG2 4.44Å
111	C	98.6	Very high	97.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.2	173.6	-73.5	0	0	0	0	109.6	E39 N40 W56 L89 G90 C91 Y113	E39-C111 VanDerWaalsContact CA-O 3.25Å; E39-C111 WeakPolarHBondContact CA-O 3.15Å; N40-C111 PolarHBondContact N-O 2.72Å; N40-C111 PolarHBondContact O-N 2.76Å; W56-C111 HydrophobicContact CH2-CB 4.19Å; W56-C111 HydrophobicContact CZ3-CB 4.36Å; L89-C111 HydrophobicContact CD1-CB 4.14Å; G90-C111 CarbonylContact O-C 3.53Å; G90-C111 WeakPolarHBondContact O-CA 3.28Å; C91-C111 HydrophobicContact CB-CB 4.1Å; C91-C111 WeakPolarHBondContact CB-SG 3.26Å; C91-C111 WeakPolarHBondContact SG-CB 3.31Å; C91-C111 CovalentContact SG-SG 2.05Å; C91-C111 PolarHBondContact SG-SG 3.42Å; C111-Y113 HydrophobicContact CB-CE2 3.84Å; C111-Y113 VanDerWaalsContact O-CE2 3.31Å; C111-Y113 WeakPolarHBondContact O-CE2 3.48Å
112	H	98.7	Very high	97.4	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.4	174.7	-68.8	169.5	0	0	0	111.3	L15 S31 G38 E39 L89 G90	L15-H112 HydrophobicContact CB-CB 4.21Å; L15-H112 HydrophobicContact CD2-CB 4.07Å; S31-H112 PolarHBondContact OG-NE2 3.12Å; G38-H112 VanDerWaalsContact O-CA 3.26Å; G38-H112 WeakPolarHBondContact O-CA 3.48Å; E39-H112 IonicContact OE1-CD2 3.63Å; E39-H112 IonicContact OE1-CE1 3.52Å; E39-H112 IonicContact OE1-NE2 2.68Å; E39-H112 PolarHBondContact OE1-NE2 2.86Å; L89-H112 WeakPolarHBondContact CA-O 3.34Å; G90-H112 PolarHBondContact N-O 3.14Å; G90-H112 PolarHBondContact O-N 2.97Å
113	Y	98.7	Very high	97.3	Very high	10 Å²	10	51.6 Å²	51.6	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.3	-173.5	-58.2	-98.7	0	0	0	109.7	S37 G38 N40 Q80 T86 L88 L89 C111	S37-Y113 CarbonylContact C-O 3.54Å; S37-Y113 WeakPolarHBondContact CA-O 3.19Å; S37-Y113 WeakPolarHBondContact CB-O 3.39Å; G38-Y113 PolarHBondContact N-O 3.39Å; G38-Y113 PolarHBondContact O-N 2.98Å; N40-Y113 HydrophobicContact CB-CE2 3.87Å; N40-Y113 PolarHBondContact ND2-OH 3.16Å; N40-Y113 VanDerWaalsContact ND2-OH 3.1Å; Q80-Y113 HydrophobicContact CG-CD1 4.08Å; Q80-Y113 HydrophobicContact CG-CD2 3.51Å; Q80-Y113 HydrophobicContact CG-CE1 4.25Å; Q80-Y113 HydrophobicContact CG-CE2 3.73Å; Q80-Y113 HydrophobicContact CG-CG 3.72Å; T86-Y113 HydrophobicContact CG2-CD1 4.1Å; T86-Y113 HydrophobicContact CG2-CG 4.45Å; L88-Y113 WeakPolarHBondContact O-CA 3.46Å; L89-Y113 HydrophobicContact CD1-CD1 3.72Å; L89-Y113 HydrophobicContact CD1-CE1 3.47Å; L89-Y113 VanDerWaalsContact CD1-CE1 3.47Å; L89-Y113 HydrophobicContact CD1-CE2 4.4Å; L89-Y113 HydrophobicContact CD1-CG 4.29Å; C111-Y113 HydrophobicContact CB-CE2 3.84Å; C111-Y113 VanDerWaalsContact O-CE2 3.31Å; C111-Y113 WeakPolarHBondContact O-CE2 3.48Å
114	W	98.2	Very high	97.2	Very high	113 Å²	113	55.7 Å²	55.7	43%	0.428	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.1	176	-174.3	-96.1	0	0	0	113.5	L15 E87 L88	L15-W114 HydrophobicContact CD1-CB 3.93Å; E87-W114 PolarHBondContact N-O 3.43Å; L88-W114 HydrophobicContact CB-CB 4.19Å; L88-W114 PolarHBondContact N-O 3.09Å; L88-W114 PolarHBondContact O-N 3.2Å
115	P	97.4	Very high	97.1	Very high	44 Å²	44	56.1 Å²	56.1	29%	0.286	28%	0.279	S	S	.	.	S	Bend	cis	-55.3	159.6	-15.4	-24.6	35.2	0	0	0	112.9	E85 T86	E85-P115 WeakPolarHBondContact O-CD 3.48Å; T86-P115 PolarHBondContact OG1-O 3.23Å
116	S	97.7	Very high	97	Very high	17 Å²	17	55.6 Å²	55.6	12%	0.119	29%	0.286	C	S	.	.			trans	-64.8	151.9	175.7	55.6	0	0	0	0	111.8	S36 W119	S36-S116 WeakPolarHBondContact O-CB 3.32Å; S36-S116 PolarHBondContact O-OG 3.45Å; S116-W119 VanDerWaalsContact O-CD1 3.31Å; S116-W119 PolarHBondContact O-NE1 3.27Å
117	G	97.9	Very high	96.9	Very high	9 Å²	9	56.7 Å²	56.7	9%	0.093	30%	0.299	C	S	.	.			trans	-91.2	-165.8	168	0	0	0	0	0	113	W83 W119	W83-G117 VanDerWaalsContact CE2-CA 3.46Å; G117-W119 VanDerWaalsContact C-N 3.31Å; G117-W119 PolarHBondContact O-N 3.49Å
118	N	97.6	Very high	96.7	Very high	36 Å²	36	58 Å²	58	19%	0.193	31%	0.307	C	S	.	.			trans	62.4	33.4	171.8	-59	-18.9	0	0	0	114.7	F71 G76 T79 Q80	F71-N118 HydrophobicContact CB-CB 4.21Å; F71-N118 HydrophobicContact CD1-CB 4.32Å; F71-N118 HydrophobicContact CD2-CB 3.5Å; F71-N118 HydrophobicContact CE2-CB 3.9Å; F71-N118 HydrophobicContact CG-CB 3.74Å; F71-N118 HydrophobicContact CZ-CB 4.45Å; G76-N118 PolarHBondContact O-ND2 3.43Å; T79-N118 VanDerWaalsContact CB-OD1 3.3Å; T79-N118 WeakPolarHBondContact CB-OD1 3.33Å; T79-N118 PolarHBondContact OG1-OD1 2.88Å; Q80-N118 PolarHBondContact N-OD1 2.68Å
119	W	96.9	Very high	96.7	Very high	136 Å²	136	59.1 Å²	59.1	52%	0.515	32%	0.316	S	S	.	.			trans	-67.1	139.2	176.6	-71.3	88.1	0	0	0	112.2	W83 S116 G117 L130	W83-W119 HydrophobicContact CH2-CB 4.17Å; W83-W119 VanDerWaalsContact CH2-N 3.34Å; W83-W119 HydrophobicContact CZ2-CB 3.98Å; W83-W119 AromaticContact CZ2-CD1 3.61Å; W83-W119 HydrophobicContact CZ2-CG 4.2Å; S116-W119 VanDerWaalsContact O-CD1 3.31Å; S116-W119 PolarHBondContact O-NE1 3.27Å; G117-W119 VanDerWaalsContact C-N 3.31Å; G117-W119 PolarHBondContact O-N 3.49Å; W119-L130 HydrophobicContact CB-CB 4.37Å; W119-L130 HydrophobicContact CB-CD1 3.89Å; W119-L130 HydrophobicContact CB-CG 4.37Å; W119-L130 PolarHBondContact O-N 2.87Å
120	V	95.8	Very high	96.5	Very high	66 Å²	66	61.7 Å²	61.7	40%	0.4	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.8	169.7	-60.3	0	0	0	0	108.5	F71 L127 I128 A129	F71-V120 HydrophobicContact CD1-CG1 3.94Å; F71-V120 HydrophobicContact CE1-CG1 4.43Å; V120-L127 HydrophobicContact CG2-CD2 4.38Å; V120-I128 CarbonylContact C-O 3.58Å; V120-I128 VanDerWaalsContact CA-O 3.31Å; V120-I128 WeakPolarHBondContact CA-O 3.47Å; V120-A129 HydrophobicContact CG1-CB 4.45Å
121	Q	95.1	Very high	96.5	Very high	97 Å²	97	63.9 Å²	63.9	45%	0.453	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.2	174.4	67.4	178.5	23.2	0	0	110.3	L127 I128 L130	Q121-L127 CarbonylContact O-C 3.59Å; Q121-L127 WeakPolarHBondContact O-CA 3.41Å; Q121-I128 HydrophobicContact CG-CB 4.46Å; Q121-I128 PolarHBondContact N-O 3.28Å; Q121-I128 PolarHBondContact O-N 3.41Å; Q121-L130 HydrophobicContact CG-CD2 4.1Å
122	F	96.5	Very high	96.4	Very high	153 Å²	153	63.9 Å²	63.9	67%	0.671	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.7	171.8	-168.3	-99.2	0	0	0	109.6	A126 L127	F122-A126 WeakPolarHBondContact CA-O 3.38Å; F122-L127 HydrophobicContact CB-CD2 4.37Å; F122-L127 HydrophobicContact CD2-CD2 4.19Å
123	A	94.6	Very high	96.4	Very high	27 Å²	27	64.4 Å²	64.4	22%	0.223	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	143.4	177.8	0	0	0	0	0	109.6	G125 A126 I128	A123-G125 PolarHBondContact O-N 2.86Å; A123-G125 VanDerWaalsContact O-N 3.11Å; A123-A126 PolarHBondContact N-O 3.17Å; A123-A126 PolarHBondContact O-N 2.95Å; A123-I128 HydrophobicContact CB-CD1 3.75Å; A123-I128 HydrophobicContact CB-CG1 4.3Å
124	E	92.8	Very high	96.3	Very high	196 Å²	196	68.5 Å²	68.5	92%	0.916	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	34	177.1	-60.1	174.8	-169.5	0	0	114.1	A126	E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 2.9Å
125	G	94.7	Very high	96.1	Very high	62 Å²	62	70 Å²	70	64%	0.639	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	6.9	179.7	0	0	0	0	0	114.9	A123	A123-G125 PolarHBondContact O-N 2.86Å; A123-G125 VanDerWaalsContact O-N 3.11Å
126	A	95.3	Very high	95.8	Very high	50 Å²	50	69.3 Å²	69.3	41%	0.413	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.2	-178.8	0	0	0	0	0	112.7	F122 A123 E124	F122-A126 WeakPolarHBondContact CA-O 3.38Å; A123-A126 PolarHBondContact N-O 3.17Å; A123-A126 PolarHBondContact O-N 2.95Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 2.9Å
127	L	94.8	Very high	95.5	Very high	127 Å²	127	75.4 Å²	75.4	67%	0.665	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.9	166	-69.4	174.2	0	0	0	109.3	V120 Q121 F122	V120-L127 HydrophobicContact CG2-CD2 4.38Å; Q121-L127 CarbonylContact O-C 3.59Å; Q121-L127 WeakPolarHBondContact O-CA 3.41Å; F122-L127 HydrophobicContact CB-CD2 4.37Å; F122-L127 HydrophobicContact CD2-CD2 4.19Å
128	I	95	Very high	95.3	Very high	66 Å²	66	82.7 Å²	82.7	34%	0.338	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.6	179.6	-52.9	-170.5	0	0	0	108.8	V120 Q121 A123	V120-I128 CarbonylContact C-O 3.58Å; V120-I128 VanDerWaalsContact CA-O 3.31Å; V120-I128 WeakPolarHBondContact CA-O 3.47Å; Q121-I128 HydrophobicContact CG-CB 4.46Å; Q121-I128 PolarHBondContact N-O 3.28Å; Q121-I128 PolarHBondContact O-N 3.41Å; A123-I128 HydrophobicContact CB-CD1 3.75Å; A123-I128 HydrophobicContact CB-CG1 4.3Å
129	A	96.5	Very high	95.1	Very high	22 Å²	22	82 Å²	82	18%	0.182	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.1	173.6	0	0	0	0	0	111.1	Y70 F71 V120	Y70-A129 HydrophobicContact CD1-CB 4.46Å; Y70-A129 VanDerWaalsContact CD1-O 3.27Å; Y70-A129 WeakPolarHBondContact CD1-O 3.47Å; F71-A129 HydrophobicContact CB-CB 4.12Å; F71-A129 WeakPolarHBondContact O-CB 3.41Å; V120-A129 HydrophobicContact CG1-CB 4.45Å
130	L	96.2	Very high	95	Very high	59 Å²	59	79 Å²	79	31%	0.309	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-79.8	149.1	168	-65.2	-175.5	0	0	0	110.3	W83 W119 Q121	W83-L130 HydrophobicContact CH2-CB 4.21Å; W119-L130 HydrophobicContact CB-CB 4.37Å; W119-L130 HydrophobicContact CB-CD1 3.89Å; W119-L130 HydrophobicContact CB-CG 4.37Å; W119-L130 PolarHBondContact O-N 2.87Å; Q121-L130 HydrophobicContact CG-CD2 4.1Å
131	P	96.8	Very high	95	Very high	46 Å²	46	76.7 Å²	76.7	30%	0.299	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-71.7	137.2	175.2	30	-33.2	0	0	0	110.3	N69 Y70 F133	N69-P131 WeakPolarHBondContact ND2-CB 3.41Å; N69-P131 CarbonylContact O-C 3.55Å; N69-P131 WeakPolarHBondContact O-CA 2.97Å; Y70-P131 HydrophobicContact CD1-CB 4.23Å; Y70-P131 HydrophobicContact CE1-CB 3.83Å; Y70-P131 HydrophobicContact CE1-CG 4.19Å; Y70-P131 HydrophobicContact CE2-CB 4.24Å; P131-F133 PolarHBondContact O-N 3Å
132	A	98	Very high	95	Very high	3 Å²	3	74.4 Å²	74.4	3%	0.025	41%	0.405	C	S	.	.	S	Bend	trans	-58.9	-29.1	174.1	0	0	0	0	0	112.7	N69 I82 W83 A84	N69-A132 WeakPolarHBondContact O-CB 3.45Å; N69-A132 PolarHBondContact O-N 3.24Å; I82-A132 HydrophobicContact CD1-CB 3.81Å; I82-A132 HydrophobicContact CG1-CB 3.95Å; W83-A132 CarbonylContact C-O 3.58Å; W83-A132 WeakPolarHBondContact CA-O 3.42Å; W83-A132 HydrophobicContact CD2-CB 4.2Å; W83-A132 HydrophobicContact CE3-CB 3.48Å; W83-A132 VanDerWaalsContact CE3-CB 3.48Å; W83-A132 HydrophobicContact CZ3-CB 3.9Å; A84-A132 WeakPolarHBondContact CB-O 3.43Å; A84-A132 PolarHBondContact N-O 3.39Å
133	F	97.6	Very high	95	Very high	13 Å²	13	70.2 Å²	70.2	6%	0.057	39%	0.387	C	S	.	.	S	Bend	trans	-151.1	158.1	173	62.8	-100.8	0	0	0	111.3	M1 A3 M6 N69 I82 A84 P131 R135	M1-F133 HydrophobicContact CB-CE2 4.29Å; M1-F133 HydrophobicContact CB-CZ 3.8Å; M1-F133 HydrophobicContact SD-CZ 4.36Å; A3-F133 HydrophobicContact CB-CB 3.81Å; A3-F133 HydrophobicContact CB-CD1 4.41Å; A3-F133 HydrophobicContact CB-CD2 3.52Å; A3-F133 HydrophobicContact CB-CE2 4.19Å; A3-F133 HydrophobicContact CB-CG 3.67Å; M6-F133 HydrophobicContact CE-CB 4.2Å; M6-F133 HydrophobicContact CE-CD1 4.21Å; M6-F133 HydrophobicContact CE-CG 4.45Å; N69-F133 HydrophobicContact CB-CD1 4.09Å; N69-F133 HydrophobicContact CB-CE1 3.6Å; N69-F133 HydrophobicContact CB-CE2 4.29Å; N69-F133 HydrophobicContact CB-CZ 3.7Å; N69-F133 PolarHBondContact ND2-O 3.03Å; I82-F133 HydrophobicContact CD1-CD1 3.81Å; I82-F133 HydrophobicContact CD1-CE1 3.57Å; A84-F133 HydrophobicContact CB-CB 3.65Å; P131-F133 PolarHBondContact O-N 3Å; F133-R135 HydrophobicContact CE2-CG 4.29Å
134	R	96.1	Very high	95.1	Very high	96 Å²	96	70.5 Å²	70.5	36%	0.362	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-79.4	129.2	171.9	-70.9	-178.6	-77.3	168.9	-7.5	110.2	A3 S4 N5 S136 E143	A3-R134 CarbonylContact C-O 3.53Å; A3-R134 WeakPolarHBondContact CA-O 2.96Å; S4-R134 PolarHBondContact N-O 3.26Å; S4-R134 WeakPolarHBondContact OG-CB 3.49Å; S4-R134 PolarHBondContact OG-O 3.02Å; S4-R134 VanDerWaalsContact OG-O 3.08Å; N5-R134 PolarHBondContact ND2-NE 2.93Å; N5-R134 PolarHBondContact OD1-N 2.84Å; R134-S136 PolarHBondContact O-N 3.11Å; R134-E143 WeakPolarHBondContact CD-OE1 3.39Å; R134-E143 IonicContact CZ-OE1 2.68Å; R134-E143 IonicContact NE-OE1 3.61Å; R134-E143 IonicContact NH1-OE1 3.44Å; R134-E143 PolarHBondContact NH1-OE1 3.24Å; R134-E143 PolarHBondContact NH2-O 3.21Å
135	R	94	Very high	95.2	Very high	145 Å²	145	63.7 Å²	63.7	55%	0.547	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-68.7	128.1	-179.4	-71.4	-175.7	177.8	-161.3	1.6	109.2	N69 F133	N69-R135 PolarHBondContact OD1-NH2 3.26Å; F133-R135 HydrophobicContact CE2-CG 4.29Å
136	S	92.4	Very high	95	Very high	29 Å²	29	65.4 Å²	65.4	20%	0.203	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-74	130.1	179.9	171.1	0	0	0	0	112.7	R2 R134 G139	R2-S136 PolarHBondContact O-N 3.04Å; R134-S136 PolarHBondContact O-N 3.11Å; S136-G139 WeakPolarHBondContact OG-CA 3.24Å; S136-G139 PolarHBondContact OG-N 3.03Å; S136-G139 PolarHBondContact OG-O 2.99Å
137	I	90.5	Very high	94.9	Very high	145 Å²	145	68.7 Å²	68.7	74%	0.744	38%	0.38	S	S	*	.	S	Bend	trans	-101.7	-38.6	166.6	-58.9	173.9	0	0	0	110.4
138	H	93.6	Very high	94.9	Very high	163 Å²	163	64 Å²	64	76%	0.755	35%	0.354	S	S	*	.	S	Bend	trans	-107	20.1	-172.9	-59	-64.3	0	0	0	114.4
139	G	93.1	Very high	94.9	Very high	21 Å²	21	64.6 Å²	64.6	22%	0.216	36%	0.361	C	S	.	.			trans	95.1	175.2	-177.2	0	0	0	0	0	114	S136 S142	S136-G139 WeakPolarHBondContact OG-CA 3.24Å; S136-G139 PolarHBondContact OG-N 3.03Å; S136-G139 PolarHBondContact OG-O 2.99Å; G139-S142 WeakPolarHBondContact O-CB 3.1Å; G139-S142 PolarHBondContact O-OG 3.1Å
140	P	95	Very high	94.8	Very high	72 Å²	72	66.8 Å²	66.8	47%	0.468	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	154	177.1	29.1	-35.1	0	0	0	110.5	S142 G153	P140-S142 PolarHBondContact O-N 3.38Å; P140-S142 VanDerWaalsContact O-N 3.07Å; P140-G153 WeakPolarHBondContact CB-O 3.21Å
141	C	95.6	Very high	94.8	Very high	18 Å²	18	68 Å²	68	12%	0.122	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	1.7	-178	-51.1	0	0	0	0	117.1	S4 E143 C144 C150	S4-C141 CarbonylContact O-C 3.49Å; S4-C141 WeakPolarHBondContact O-CA 3.31Å; S4-C141 PolarHBondContact O-N 3.47Å; C141-E143 PolarHBondContact O-N 2.03Å; C141-C144 WeakPolarHBondContact CA-SG 3.43Å; C141-C144 WeakPolarHBondContact CB-SG 2.79Å; C141-C144 PolarHBondContact O-N 3Å; C141-C144 PolarHBondContact O-SG 3.19Å; C141-C144 VanDerWaalsContact O-SG 3.4Å; C141-C150 HydrophobicContact CB-CB 3.37Å; C141-C150 WeakPolarHBondContact CB-SG 3.35Å; C141-C150 VanDerWaalsContact SG-CA 3.52Å; C141-C150 WeakPolarHBondContact SG-CB 3.49Å; C141-C150 CovalentContact SG-SG 2.04Å; C141-C150 PolarHBondContact SG-SG 2.91Å
142	S	96	Very high	94.6	Very high	49 Å²	49	73.4 Å²	73.4	34%	0.343	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.4	-176.8	68.5	0	0	0	0	114	S4 G139 P140	S4-S142 VanDerWaalsContact CB-OG 3.23Å; S4-S142 WeakPolarHBondContact CB-OG 3.03Å; S4-S142 PolarHBondContact O-N 2.69Å; G139-S142 WeakPolarHBondContact O-CB 3.1Å; G139-S142 PolarHBondContact O-OG 3.1Å; P140-S142 PolarHBondContact O-N 3.38Å; P140-S142 VanDerWaalsContact O-N 3.07Å
143	E	96.4	Very high	94.5	Very high	66 Å²	66	74.4 Å²	74.4	31%	0.308	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	34.5	179.5	-62.9	179	69.5	0	0	112.2	S4 N5 R134 C141	S4-E143 VanDerWaalsContact CB-OE2 3.24Å; S4-E143 WeakPolarHBondContact CB-OE2 3.44Å; S4-E143 PolarHBondContact O-N 2.93Å; S4-E143 VanDerWaalsContact O-N 3.08Å; S4-E143 PolarHBondContact OG-OE2 3.02Å; N5-E143 HydrophobicContact CB-CB 4.42Å; N5-E143 WeakPolarHBondContact CB-O 3.06Å; R134-E143 WeakPolarHBondContact CD-OE1 3.39Å; R134-E143 IonicContact CZ-OE1 2.68Å; R134-E143 IonicContact NE-OE1 3.61Å; R134-E143 IonicContact NH1-OE1 3.44Å; R134-E143 PolarHBondContact NH1-OE1 3.24Å; R134-E143 PolarHBondContact NH2-O 3.21Å; C141-E143 PolarHBondContact O-N 2.03Å
144	C	96.4	Very high	94.4	Very high	33 Å²	33	76.6 Å²	76.6	22%	0.223	43%	0.43	C	S	.	.			trans	-60.3	143.7	168.9	-64.8	0	0	0	0	111.4	C141 F148 C155	C141-C144 WeakPolarHBondContact CA-SG 3.43Å; C141-C144 WeakPolarHBondContact CB-SG 2.79Å; C141-C144 PolarHBondContact O-N 3Å; C141-C144 PolarHBondContact O-SG 3.19Å; C141-C144 VanDerWaalsContact O-SG 3.4Å; C144-F148 HydrophobicContact CB-CB 4.12Å; C144-C155 WeakPolarHBondContact CA-SG 3.37Å; C144-C155 HydrophobicContact CB-CB 3.82Å; C144-C155 WeakPolarHBondContact CB-SG 3.45Å; C144-C155 WeakPolarHBondContact SG-CA 3.19Å; C144-C155 WeakPolarHBondContact SG-CB 3.39Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 3.4Å
145	S	94.4	Very high	94.5	Very high	52 Å²	52	72.1 Å²	72.1	36%	0.364	41%	0.413	S	S	.	.			trans	-68.6	156.6	173.3	-56.4	0	0	0	0	111.2	N147 F148	S145-N147 PolarHBondContact O-N 2.01Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 3.2Å
146	A	91.2	Very high	94.6	Very high	99 Å²	99	66.5 Å²	66.5	82%	0.818	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.3	-169.4	0	0	0	0	0	116.2	F148	A146-F148 VanDerWaalsContact C-N 3.27Å; A146-F148 PolarHBondContact O-N 3.33Å
147	N	92.2	Very high	94.6	Very high	118 Å²	118	70.1 Å²	70.1	63%	0.631	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	13	179.4	-65.9	-25.7	0	0	0	113.8	S145 I158	S145-N147 PolarHBondContact O-N 2.01Å; N147-I158 PolarHBondContact O-N 3.21Å
148	F	95.4	Very high	94.5	Very high	29 Å²	29	68 Å²	68	13%	0.127	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.5	-177.2	-67	-103.9	0	0	0	110.8	K7 E87 C144 S145 A146 C155 T156 K157	K7-F148 HydrophobicContact CB-CE1 4.5Å; K7-F148 HydrophobicContact CD-CE1 3.9Å; K7-F148 HydrophobicContact CD-CZ 3.87Å; K7-F148 HydrophobicContact CG-CD1 4.4Å; K7-F148 HydrophobicContact CG-CE1 4.01Å; K7-F148 HydrophobicContact CG-CZ 4.41Å; E87-F148 HydrophobicContact CG-CZ 4.48Å; C144-F148 HydrophobicContact CB-CB 4.12Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 3.2Å; A146-F148 VanDerWaalsContact C-N 3.27Å; A146-F148 PolarHBondContact O-N 3.33Å; F148-C155 HydrophobicContact CB-CB 3.97Å; F148-C155 HydrophobicContact CD1-CB 4.03Å; F148-C155 WeakPolarHBondContact CD1-O 3.34Å; F148-C155 HydrophobicContact CG-CB 4.24Å; F148-T156 CarbonylContact C-O 3.5Å; F148-T156 VanDerWaalsContact CA-O 3.22Å; F148-T156 WeakPolarHBondContact CA-O 3.29Å; F148-T156 VanDerWaalsContact CD1-C 3.41Å; F148-K157 HydrophobicContact CD1-CB 4.17Å; F148-K157 VanDerWaalsContact CD1-N 3.29Å; F148-K157 HydrophobicContact CE1-CB 3.85Å; F148-K157 HydrophobicContact CZ-CB 4.28Å; F148-K157 HydrophobicContact CZ-CG 4.48Å
149	T	95.3	Very high	93.7	Very high	79 Å²	79	64 Å²	64	49%	0.485	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	161.5	169.6	-172.4	0	0	0	0	110.3	T156 I158	T149-T156 PolarHBondContact N-O 2.94Å; T149-T156 PolarHBondContact O-N 2.99Å; T149-I158 HydrophobicContact CG2-CG1 4.41Å
150	C	95.4	Very high	91.9	Very high	68 Å²	68	68.3 Å²	68.3	46%	0.459	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.4	176.1	-168.9	0	0	0	0	111.1	C141	C141-C150 HydrophobicContact CB-CB 3.37Å; C141-C150 WeakPolarHBondContact CB-SG 3.35Å; C141-C150 VanDerWaalsContact SG-CA 3.52Å; C141-C150 WeakPolarHBondContact SG-CB 3.49Å; C141-C150 CovalentContact SG-SG 2.04Å; C141-C150 PolarHBondContact SG-SG 2.91Å
151	L	95.2	Very high	89.4	Confident	85 Å²	85	70.2 Å²	70.2	45%	0.445	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.2	170.4	-179.1	65.1	0	0	0	109	M8 G153 L154 T156	M8-L151 HydrophobicContact SD-CD2 4.48Å; L151-G153 PolarHBondContact O-N 2.92Å; L151-L154 PolarHBondContact N-O 2.76Å; L151-L154 PolarHBondContact O-N 2.84Å; L151-T156 WeakPolarHBondContact CB-OG1 3.26Å; L151-T156 HydrophobicContact CD2-CG2 4.47Å
152	N	93.5	Very high	87	Confident	159 Å²	159	73.7 Å²	73.7	85%	0.85	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	33.6	178.8	-62.6	-28.9	0	0	0	114.4
153	G	94.2	Very high	84.4	Confident	23 Å²	23	77.1 Å²	77.1	24%	0.237	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	9.8	-179	0	0	0	0	0	115.4	P140 L151	P140-G153 WeakPolarHBondContact CB-O 3.21Å; L151-G153 PolarHBondContact O-N 2.92Å
154	L	96.6	Very high	81.9	Confident	60 Å²	60	82 Å²	82	31%	0.314	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.3	175.3	-61.1	173.2	0	0	0	111.2	M6 M8 L151 T156	M6-L154 HydrophobicContact CB-CD2 4.04Å; M6-L154 HydrophobicContact CG-CD2 3.62Å; M6-L154 CarbonylContact O-C 3.56Å; M6-L154 WeakPolarHBondContact O-CA 3.34Å; M8-L154 HydrophobicContact CB-CB 4.1Å; M8-L154 HydrophobicContact CB-CD1 4.29Å; M8-L154 HydrophobicContact CG-CD1 4.35Å; L151-L154 PolarHBondContact N-O 2.76Å; L151-L154 PolarHBondContact O-N 2.84Å; L154-T156 PolarHBondContact O-N 2.84Å; L154-T156 PolarHBondContact O-OG1 3.22Å
155	C	97.2	Very high	79.7	Confident	2 Å²	2	87 Å²	87	1%	0.014	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	109.4	170.4	-57.3	0	0	0	0	108.8	M6 K7 M8 C144 F148	M6-C155 PolarHBondContact O-N 3.38Å; K7-C155 CarbonylContact C-O 3.16Å; K7-C155 VanDerWaalsContact CA-O 3.26Å; K7-C155 WeakPolarHBondContact CA-O 3.46Å; K7-C155 HydrophobicContact CG-CB 4.22Å; M8-C155 PolarHBondContact N-O 2.86Å; C144-C155 WeakPolarHBondContact CA-SG 3.37Å; C144-C155 HydrophobicContact CB-CB 3.82Å; C144-C155 WeakPolarHBondContact CB-SG 3.45Å; C144-C155 WeakPolarHBondContact SG-CA 3.19Å; C144-C155 WeakPolarHBondContact SG-CB 3.39Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 3.4Å; F148-C155 HydrophobicContact CB-CB 3.97Å; F148-C155 HydrophobicContact CD1-CB 4.03Å; F148-C155 WeakPolarHBondContact CD1-O 3.34Å; F148-C155 HydrophobicContact CG-CB 4.24Å
156	T	96	Very high	77.1	Confident	26 Å²	26	92 Å²	92	16%	0.16	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.2	-177.6	-58.3	0	0	0	0	109.7	M8 F148 T149 L151 L154 I158	M8-T156 HydrophobicContact SD-CG2 4.06Å; F148-T156 CarbonylContact C-O 3.5Å; F148-T156 VanDerWaalsContact CA-O 3.22Å; F148-T156 WeakPolarHBondContact CA-O 3.29Å; F148-T156 VanDerWaalsContact CD1-C 3.41Å; T149-T156 PolarHBondContact N-O 2.94Å; T149-T156 PolarHBondContact O-N 2.99Å; L151-T156 WeakPolarHBondContact CB-OG1 3.26Å; L151-T156 HydrophobicContact CD2-CG2 4.47Å; L154-T156 PolarHBondContact O-N 2.84Å; L154-T156 PolarHBondContact O-OG1 3.22Å; T156-I158 PolarHBondContact O-N 2.86Å
157	K	92.5	Very high	74.9	Confident	106 Å²	106	96.4 Å²	96.4	46%	0.461	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	132.9	-176.9	-169.1	173.4	-176.9	176.1	0	110	F148 T159	F148-K157 HydrophobicContact CD1-CB 4.17Å; F148-K157 VanDerWaalsContact CD1-N 3.29Å; F148-K157 HydrophobicContact CE1-CB 3.85Å; F148-K157 HydrophobicContact CZ-CB 4.28Å; F148-K157 HydrophobicContact CZ-CG 4.48Å; K157-T159 PolarHBondContact O-N 3.06Å; K157-T159 VanDerWaalsContact O-N 3.16Å
158	I	88.6	Confident	74	Confident	100 Å²	100	95.3 Å²	95.3	51%	0.513	53%	0.528	S	S	.	.			trans	-69	110.8	172.8	-61.1	165.3	0	0	0	106.7	N147 T149 T156 S160	N147-I158 PolarHBondContact O-N 3.21Å; T149-I158 HydrophobicContact CG2-CG1 4.41Å; T156-I158 PolarHBondContact O-N 2.86Å; I158-S160 PolarHBondContact O-N 3.27Å
159	T	77	Confident	72.9	Confident	79 Å²	79	98.8 Å²	98.8	49%	0.485	55%	0.549	S	S	.	.			trans	-78.3	119.9	173.6	49.7	0	0	0	0	108.7	K157 N161	K157-T159 PolarHBondContact O-N 3.06Å; K157-T159 VanDerWaalsContact O-N 3.16Å; T159-N161 VanDerWaalsContact C-N 3.32Å; T159-N161 PolarHBondContact O-N 3.31Å
160	S	54.9	Low	71.6	Confident	112 Å²	112	99.9 Å²	99.9	78%	0.783	55%	0.552	S	S	*	*	S	Bend	trans	-72.6	94.1	164.1	51.4	0	0	0	0	107.6	I158	I158-S160 PolarHBondContact O-N 3.27Å
161	N	42.9	Very low	70.2	Confident	112 Å²	112	101.8 Å²	101.8	60%	0.599	56%	0.558	S	S	*	*			trans	75.7	116.5	172.9	-131.3	-0.7	0	0	0	116.5	T159 I163	T159-N161 VanDerWaalsContact C-N 3.32Å; T159-N161 PolarHBondContact O-N 3.31Å; N161-I163 PolarHBondContact O-N 3.34Å
162	P	46.2	Very low	68.7	Low	91 Å²	91	102.8 Å²	102.8	59%	0.591	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-64.6	-3.8	177.4	-22.4	33.3	0	0	0	116.6
163	I	41.9	Very low	67	Low	120 Å²	120	99.1 Å²	99.1	62%	0.615	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-78.3	-25.7	-171.1	-58.3	-177.4	0	0	0	112.5	N161 Q165	N161-I163 PolarHBondContact O-N 3.34Å; I163-Q165 PolarHBondContact O-N 3.38Å
164	E	43.6	Very low	65.1	Low	168 Å²	168	104.5 Å²	104.5	79%	0.785	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-85	-3.7	-177.9	-74.9	-175.7	175.8	0	0	115
165	Q	49.1	Very low	62.7	Low	138 Å²	138	107.9 Å²	107.9	65%	0.645	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-92.2	2	173.4	-69.5	-168.2	-25.4	0	0	113.7	I163	I163-Q165 PolarHBondContact O-N 3.38Å
166	L	40	Very low	59.8	Low	159 Å²	159	116.8 Å²	116.8	83%	0.832	64%	0.635	S	S	*	*			trans	-116.2	15.9	-180	-68.1	175.1	0	0	0	113.8
167	V	44.9	Very low	56.5	Low	190 Å²	190	125 Å²	125	100%	1.152	68%	0.678	S	S	*	*			trans	-112.2	0	172.7	-168.9	0	0	0	0	110.3

Retrieved 167 of 167 residues in 117.9 ms (Link to these results)

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