A0A3Q0KCF3_SCHMA Loading...

Putative four and A half lim domains AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 aa.

						>A0A3Q0KCF3_SCHMA|A0A3Q0KCF3
MSTMMCAKCARPFTSGSILSALDKKWHPECFVCTICKRTLADQSFHVKNDDPFCANCWKENFQPRCATCSKIIDPSEQYMTYNDRAYHKNCFTCAACHQSLAGKQFCIKDNGYYCPEHV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.9	Low	87	Confident	233 Å²	233	99.8 Å²	99.8	100%	1.148	55%	0.549	S	S	*	.				0	116	0	-67.4	-64.9	-174.4	0	0	107.5	T3	M1-T3 PolarHBondContact O-N 3.47Å
2	S	71	Confident	87.5	Confident	125 Å²	125	96.3 Å²	96.3	87%	0.874	53%	0.534	S	S	*	.			trans	-76.1	106.3	173.2	-49.7	0	0	0	0	107.9	M4	S2-M4 PolarHBondContact O-N 3.04Å
3	T	80.4	Confident	87.8	Confident	89 Å²	89	91.8 Å²	91.8	55%	0.546	51%	0.506	S	S	.	.			trans	-68.1	121.9	179.3	-60.3	0	0	0	0	109.6	M1 P12	M1-T3 PolarHBondContact O-N 3.47Å; T3-P12 HydrophobicContact CG2-CB 3.55Å
4	M	87.6	Confident	87.7	Confident	124 Å²	124	93.7 Å²	93.7	61%	0.611	52%	0.522	S	S	*	.			trans	-69.5	132.6	171.4	-69.1	-68.5	-154.3	0	0	109.6	S2 F13	S2-M4 PolarHBondContact O-N 3.04Å; M4-F13 HydrophobicContact CB-CD2 3.76Å; M4-F13 HydrophobicContact CB-CE2 4.14Å; M4-F13 VanDerWaalsContact O-CD2 3.28Å; M4-F13 WeakPolarHBondContact O-CD2 3.43Å; M4-F13 PolarHBondContact O-N 2.98Å
5	M	94.2	Very high	87.2	Confident	112 Å²	112	94.6 Å²	94.6	55%	0.552	54%	0.537	S	S	*	.	B	Isolated β-bridge	trans	-121.8	148.4	-178.2	-62.1	-176.8	-171.2	0	0	111.3	A7 F13	M5-A7 PolarHBondContact O-N 3.01Å; M5-F13 WeakPolarHBondContact O-CE2 3.12Å
6	C	95.6	Very high	87	Confident	2 Å²	2	93.1 Å²	93.1	1%	0.014	55%	0.549	C	S	.	.			trans	-70.7	127.5	175.1	171.2	0	0	0	0	111.3	K8 C9 A10 R11 F13 K25 H27	C6-K8 PolarHBondContact O-N 3.48Å; C6-K8 VanDerWaalsContact O-N 3.16Å; C6-C9 VanDerWaalsContact CB-SG 3.6Å; C6-C9 PolarHBondContact O-N 2.82Å; C6-C9 VanDerWaalsContact SG-SG 3.6Å; C6-A10 VanDerWaalsContact O-CA 3.25Å; C6-A10 WeakPolarHBondContact O-CA 3.25Å; C6-A10 PolarHBondContact O-N 3.03Å; C6-R11 PolarHBondContact N-O 3.37Å; C6-F13 HydrophobicContact CB-CE1 4.02Å; C6-F13 HydrophobicContact CB-CZ 3.8Å; C6-K25 WeakPolarHBondContact CA-O 3.23Å; C6-H27 VanDerWaalsContact CB-CE1 3.48Å; C6-H27 WeakPolarHBondContact CB-CE1 3.49Å; C6-H27 VanDerWaalsContact CB-ND1 3.34Å; C6-H27 WeakPolarHBondContact CB-ND1 3.38Å; C6-H27 PolarHBondContact SG-N 2.81Å; C6-H27 VanDerWaalsContact SG-N 3.42Å
7	A	93.8	Very high	87.1	Confident	51 Å²	51	93.2 Å²	93.2	42%	0.421	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.1	-21.7	-177.3	0	0	0	0	0	115.1	M5 K24 K25 W26	M5-A7 PolarHBondContact O-N 3.01Å; A7-K24 HydrophobicContact CB-CB 3.87Å; A7-K24 HydrophobicContact CB-CD 4.04Å; A7-K24 HydrophobicContact CB-CG 4.25Å; A7-K25 PolarHBondContact N-O 3.43Å; A7-W26 HydrophobicContact CB-CD2 3.9Å; A7-W26 HydrophobicContact CB-CE3 3.82Å; A7-W26 HydrophobicContact CB-CH2 3.6Å; A7-W26 HydrophobicContact CB-CZ2 3.68Å; A7-W26 HydrophobicContact CB-CZ3 3.67Å
8	K	94.5	Very high	87.5	Confident	115 Å²	115	92.8 Å²	92.8	50%	0.5	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-49.2	175.6	-177.1	172.6	173.8	-116.7	0	113.8	C6 W26 C30 V32	C6-K8 PolarHBondContact O-N 3.48Å; C6-K8 VanDerWaalsContact O-N 3.16Å; K8-W26 HydrophobicContact CB-CE3 3.92Å; K8-W26 HydrophobicContact CB-CZ3 3.84Å; K8-C30 HydrophobicContact CB-CB 3.92Å; K8-C30 HydrophobicContact CD-CB 4Å; K8-C30 WeakPolarHBondContact CD-O 3.41Å; K8-C30 HydrophobicContact CG-CB 4.45Å; K8-V32 HydrophobicContact CD-CG2 4.02Å
9	C	95	Very high	87.8	Confident	41 Å²	41	90.2 Å²	90.2	28%	0.277	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-4	-169.9	67.7	0	0	0	0	113.8	C6 R11 H27	C6-C9 VanDerWaalsContact CB-SG 3.6Å; C6-C9 PolarHBondContact O-N 2.82Å; C6-C9 VanDerWaalsContact SG-SG 3.6Å; C9-R11 HydrophobicContact CB-CG 4.42Å; C9-R11 PolarHBondContact O-N 3.3Å; C9-R11 PolarHBondContact SG-NE 3.41Å; C9-H27 PolarHBondContact SG-ND1 3.01Å; C9-H27 VanDerWaalsContact SG-ND1 3.36Å
10	A	93.6	Very high	88.1	Confident	70 Å²	70	89.2 Å²	89.2	58%	0.579	53%	0.53	S	S	*	.			trans	55	13.9	-176.1	0	0	0	0	0	115	C6	C6-A10 VanDerWaalsContact O-CA 3.25Å; C6-A10 WeakPolarHBondContact O-CA 3.25Å; C6-A10 PolarHBondContact O-N 3.03Å
11	R	94.2	Very high	88.3	Confident	136 Å²	136	85.8 Å²	85.8	51%	0.513	51%	0.512	S	S	.	.			trans	-84.9	145.5	175.8	-63.6	-176.5	-61.6	168.4	3.2	110.6	C6 C9	C6-R11 PolarHBondContact N-O 3.37Å; C9-R11 HydrophobicContact CB-CG 4.42Å; C9-R11 PolarHBondContact O-N 3.3Å; C9-R11 PolarHBondContact SG-NE 3.41Å
12	P	93.2	Very high	90	Very high	58 Å²	58	76.7 Å²	76.7	38%	0.377	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-67.6	152.3	176.6	29.7	-35.9	0	0	0	111.6	T3 T14	T3-P12 HydrophobicContact CG2-CB 3.55Å; P12-T14 HydrophobicContact CB-CG2 4.49Å; P12-T14 HydrophobicContact CG-CG2 4.07Å; P12-T14 PolarHBondContact O-N 2.72Å; P12-T14 VanDerWaalsContact O-N 3.15Å
13	F	91.5	Very high	91	Very high	38 Å²	38	79.1 Å²	79.1	17%	0.167	47%	0.471	C	S	.	.			trans	-78.5	94.7	170.9	-59.9	-75.5	0	0	0	109.7	M4 M5 C6 I18 K25 H27	M4-F13 HydrophobicContact CB-CD2 3.76Å; M4-F13 HydrophobicContact CB-CE2 4.14Å; M4-F13 VanDerWaalsContact O-CD2 3.28Å; M4-F13 WeakPolarHBondContact O-CD2 3.43Å; M4-F13 PolarHBondContact O-N 2.98Å; M5-F13 WeakPolarHBondContact O-CE2 3.12Å; C6-F13 HydrophobicContact CB-CE1 4.02Å; C6-F13 HydrophobicContact CB-CZ 3.8Å; F13-I18 HydrophobicContact CB-CD1 3.72Å; F13-I18 HydrophobicContact CB-CG1 4.17Å; F13-I18 HydrophobicContact CD1-CB 4.44Å; F13-I18 HydrophobicContact CD1-CD1 4.03Å; F13-I18 HydrophobicContact CD1-CG1 3.69Å; F13-I18 HydrophobicContact CD1-CG2 4.22Å; F13-I18 HydrophobicContact CD2-CD1 4.16Å; F13-I18 HydrophobicContact CE1-CG1 4.23Å; F13-I18 HydrophobicContact CE1-CG2 3.92Å; F13-I18 HydrophobicContact CE2-CG2 4.37Å; F13-I18 HydrophobicContact CG-CD1 3.7Å; F13-I18 HydrophobicContact CG-CG1 3.91Å; F13-I18 HydrophobicContact CZ-CG2 4.01Å; F13-K25 HydrophobicContact CE2-CB 3.5Å; F13-K25 VanDerWaalsContact CE2-CB 3.5Å; F13-K25 HydrophobicContact CE2-CG 4.48Å; F13-K25 HydrophobicContact CZ-CB 3.52Å; F13-H27 AromaticContact CD1-CD2 3.59Å; F13-H27 AromaticContact CD1-NE2 3.47Å; F13-H27 WeakPolarHBondContact CD1-NE2 3.5Å; F13-H27 AromaticContact CE1-CD2 3.69Å; F13-H27 AromaticContact CE1-NE2 3.78Å
14	T	85.9	Confident	91.7	Very high	118 Å²	118	78.6 Å²	78.6	72%	0.724	46%	0.461	S	S	*	.			trans	-89.5	-32.2	-178.8	53	0	0	0	0	112.7	P12	P12-T14 HydrophobicContact CB-CG2 4.49Å; P12-T14 HydrophobicContact CG-CG2 4.07Å; P12-T14 PolarHBondContact O-N 2.72Å; P12-T14 VanDerWaalsContact O-N 3.15Å
15	S	80.5	Confident	92	Very high	107 Å²	107	76.5 Å²	76.5	75%	0.748	45%	0.448	S	S	*	.	S	Bend	trans	-164.1	156.5	178.7	-68.9	0	0	0	0	110.5
16	G	84.3	Confident	92.1	Very high	71 Å²	71	72.2 Å²	72.2	73%	0.732	43%	0.426	S	S	*	.	S	Bend	trans	97.4	-173.4	174.8	0	0	0	0	0	114.9
17	S	89.5	Confident	92.1	Very high	95 Å²	95	73.3 Å²	73.3	66%	0.664	43%	0.431	S	S	*	.			trans	-74.3	142	-178.5	-66.7	0	0	0	0	111.3	P28	S17-P28 WeakPolarHBondContact O-CD 3.22Å
18	I	92.9	Very high	92.1	Very high	86 Å²	86	73 Å²	73	44%	0.441	43%	0.425	S	S	.	.			trans	-112.1	121.3	174.9	-56.2	178.6	0	0	0	107.9	F13 K25	F13-I18 HydrophobicContact CB-CD1 3.72Å; F13-I18 HydrophobicContact CB-CG1 4.17Å; F13-I18 HydrophobicContact CD1-CB 4.44Å; F13-I18 HydrophobicContact CD1-CD1 4.03Å; F13-I18 HydrophobicContact CD1-CG1 3.69Å; F13-I18 HydrophobicContact CD1-CG2 4.22Å; F13-I18 HydrophobicContact CD2-CD1 4.16Å; F13-I18 HydrophobicContact CE1-CG1 4.23Å; F13-I18 HydrophobicContact CE1-CG2 3.92Å; F13-I18 HydrophobicContact CE2-CG2 4.37Å; F13-I18 HydrophobicContact CG-CD1 3.7Å; F13-I18 HydrophobicContact CG-CG1 3.91Å; F13-I18 HydrophobicContact CZ-CG2 4.01Å; I18-K25 HydrophobicContact CG2-CB 4.04Å; I18-K25 HydrophobicContact CG2-CD 3.99Å; I18-K25 HydrophobicContact CG2-CG 4.43Å
19	L	94.4	Very high	92.2	Very high	42 Å²	42	73.9 Å²	73.9	22%	0.22	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.3	171.9	-176.4	71.2	0	0	0	109.5	K25 W26 P28 F31 A41	L19-K25 CarbonylContact O-C 3.54Å; L19-K25 WeakPolarHBondContact O-CA 3.18Å; L19-W26 HydrophobicContact CB-CB 4.4Å; L19-W26 PolarHBondContact N-O 2.77Å; L19-W26 PolarHBondContact O-N 2.84Å; L19-P28 HydrophobicContact CB-CG 4.48Å; L19-F31 HydrophobicContact CD2-CB 3.4Å; L19-F31 HydrophobicContact CD2-CD1 3.4Å; L19-F31 HydrophobicContact CD2-CD2 4.34Å; L19-F31 HydrophobicContact CD2-CE1 4.25Å; L19-F31 HydrophobicContact CD2-CG 3.46Å; L19-F31 VanDerWaalsContact CD2-CG 3.46Å; L19-A41 HydrophobicContact CD2-CB 3.99Å
20	S	93.8	Very high	92.2	Very high	71 Å²	71	72.3 Å²	72.3	50%	0.497	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117	173.8	-54.6	0	0	0	0	109.1	K24 K25	S20-K24 WeakPolarHBondContact CA-O 3.36Å; S20-K25 WeakPolarHBondContact OG-CD 3.39Å; S20-K25 PolarHBondContact OG-NZ 3.3Å
21	A	92.7	Very high	92.4	Very high	17 Å²	17	69 Å²	69	14%	0.14	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	148.1	179.4	0	0	0	0	0	109.4	D23 K24 W26 F31	A21-D23 VanDerWaalsContact C-N 3.29Å; A21-D23 PolarHBondContact O-N 2.83Å; A21-K24 PolarHBondContact N-O 2.97Å; A21-K24 CarbonylContact O-C 3.58Å; A21-K24 WeakPolarHBondContact O-CA 3.19Å; A21-K24 PolarHBondContact O-N 2.69Å; A21-W26 PolarHBondContact O-NE1 3.11Å; A21-F31 HydrophobicContact CB-CD2 4.29Å; A21-F31 HydrophobicContact CB-CE1 4.18Å; A21-F31 HydrophobicContact CB-CE2 3.68Å; A21-F31 HydrophobicContact CB-CZ 3.62Å
22	L	92.1	Very high	92.6	Very high	43 Å²	43	63.1 Å²	63.1	23%	0.225	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.6	178.9	-45.7	-176.7	0	0	0	113.6	K24 W26 F31 F45 V47 D50 P52	L22-K24 WeakPolarHBondContact O-CG 3.45Å; L22-K24 PolarHBondContact O-N 3.29Å; L22-W26 HydrophobicContact CD1-CZ2 4.38Å; L22-F31 HydrophobicContact CD1-CE2 4.15Å; L22-F31 HydrophobicContact CG-CE2 4.31Å; L22-F45 HydrophobicContact CD2-CE2 4.05Å; L22-V47 HydrophobicContact CD1-CG1 4.32Å; L22-V47 HydrophobicContact CD1-CG2 4.23Å; L22-V47 HydrophobicContact CD2-CB 4.29Å; L22-V47 HydrophobicContact CD2-CG1 4.07Å; L22-V47 HydrophobicContact CD2-CG2 3.29Å; L22-V47 HydrophobicContact CG-CG2 4.39Å; L22-D50 WeakPolarHBondContact CD1-O 3.49Å; L22-P52 HydrophobicContact CD1-CB 4.21Å; L22-P52 HydrophobicContact CD1-CG 4.36Å
23	D	92.3	Very high	92.8	Very high	176 Å²	176	60.3 Å²	60.3	94%	0.941	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	15.4	-173.5	-156	-122.6	0	0	0	114.3	A21	A21-D23 VanDerWaalsContact C-N 3.29Å; A21-D23 PolarHBondContact O-N 2.83Å
24	K	94.1	Very high	93.1	Very high	77 Å²	77	60.6 Å²	60.6	34%	0.335	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	162	-174.9	-71.6	166.4	-165.3	165.3	0	110.3	A7 S20 A21 L22 W26 D50	A7-K24 HydrophobicContact CB-CB 3.87Å; A7-K24 HydrophobicContact CB-CD 4.04Å; A7-K24 HydrophobicContact CB-CG 4.25Å; S20-K24 WeakPolarHBondContact CA-O 3.36Å; A21-K24 PolarHBondContact N-O 2.97Å; A21-K24 CarbonylContact O-C 3.58Å; A21-K24 WeakPolarHBondContact O-CA 3.19Å; A21-K24 PolarHBondContact O-N 2.69Å; L22-K24 WeakPolarHBondContact O-CG 3.45Å; L22-K24 PolarHBondContact O-N 3.29Å; K24-W26 HydrophobicContact CB-CZ2 3.88Å; K24-W26 HydrophobicContact CD-CZ2 3.98Å; K24-W26 PolarHBondContact O-NE1 2.9Å; K24-D50 IonicContact NZ-OD1 2.81Å; K24-D50 PolarHBondContact NZ-OD1 2.96Å
25	K	94.7	Very high	93.7	Very high	81 Å²	81	58.5 Å²	58.5	35%	0.352	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.4	176.4	-56.9	-65.5	176.3	174.2	0	109.9	C6 A7 F13 I18 L19 S20	C6-K25 WeakPolarHBondContact CA-O 3.23Å; A7-K25 PolarHBondContact N-O 3.43Å; F13-K25 HydrophobicContact CE2-CB 3.5Å; F13-K25 VanDerWaalsContact CE2-CB 3.5Å; F13-K25 HydrophobicContact CE2-CG 4.48Å; F13-K25 HydrophobicContact CZ-CB 3.52Å; I18-K25 HydrophobicContact CG2-CB 4.04Å; I18-K25 HydrophobicContact CG2-CD 3.99Å; I18-K25 HydrophobicContact CG2-CG 4.43Å; L19-K25 CarbonylContact O-C 3.54Å; L19-K25 WeakPolarHBondContact O-CA 3.18Å; S20-K25 WeakPolarHBondContact OG-CD 3.39Å; S20-K25 PolarHBondContact OG-NZ 3.3Å
26	W	96.1	Very high	94.5	Very high	21 Å²	21	56.3 Å²	56.3	8%	0.08	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.7	-175.2	-47.9	81.5	0	0	0	110.7	A7 K8 L19 A21 L22 K24 F31	A7-W26 HydrophobicContact CB-CD2 3.9Å; A7-W26 HydrophobicContact CB-CE3 3.82Å; A7-W26 HydrophobicContact CB-CH2 3.6Å; A7-W26 HydrophobicContact CB-CZ2 3.68Å; A7-W26 HydrophobicContact CB-CZ3 3.67Å; K8-W26 HydrophobicContact CB-CE3 3.92Å; K8-W26 HydrophobicContact CB-CZ3 3.84Å; L19-W26 HydrophobicContact CB-CB 4.4Å; L19-W26 PolarHBondContact N-O 2.77Å; L19-W26 PolarHBondContact O-N 2.84Å; A21-W26 PolarHBondContact O-NE1 3.11Å; L22-W26 HydrophobicContact CD1-CZ2 4.38Å; K24-W26 HydrophobicContact CB-CZ2 3.88Å; K24-W26 HydrophobicContact CD-CZ2 3.98Å; K24-W26 PolarHBondContact O-NE1 2.9Å; W26-F31 HydrophobicContact CB-CB 4.03Å; W26-F31 HydrophobicContact CB-CD2 4.44Å; W26-F31 AromaticContact CD1-CD2 3.94Å; W26-F31 AromaticContact CD2-CD2 3.68Å; W26-F31 HydrophobicContact CD2-CD2 3.68Å; W26-F31 HydrophobicContact CD2-CE2 4.41Å; W26-F31 AromaticContact CE2-CD2 3.82Å; W26-F31 HydrophobicContact CE3-CD2 4.14Å; W26-F31 HydrophobicContact CG-CB 4.28Å; W26-F31 AromaticContact CG-CD2 3.79Å; W26-F31 HydrophobicContact CG-CD2 3.79Å; W26-F31 HydrophobicContact CG-CG 4.41Å; W26-F31 HydrophobicContact CZ2-CD2 4.41Å; W26-F31 HydrophobicContact CZ2-CE2 4.41Å; W26-F31 AromaticContact NE1-CD2 3.97Å
27	H	95.6	Very high	95.1	Very high	26 Å²	26	59 Å²	59	12%	0.12	32%	0.318	C	S	.	.			trans	-66.2	139.9	156.1	-58.4	113.3	0	0	0	107.4	C6 C9 F13 E29 C30 F31	C6-H27 VanDerWaalsContact CB-CE1 3.48Å; C6-H27 WeakPolarHBondContact CB-CE1 3.49Å; C6-H27 VanDerWaalsContact CB-ND1 3.34Å; C6-H27 WeakPolarHBondContact CB-ND1 3.38Å; C6-H27 PolarHBondContact SG-N 2.81Å; C6-H27 VanDerWaalsContact SG-N 3.42Å; C9-H27 PolarHBondContact SG-ND1 3.01Å; C9-H27 VanDerWaalsContact SG-ND1 3.36Å; F13-H27 AromaticContact CD1-CD2 3.59Å; F13-H27 AromaticContact CD1-NE2 3.47Å; F13-H27 WeakPolarHBondContact CD1-NE2 3.5Å; F13-H27 AromaticContact CE1-CD2 3.69Å; F13-H27 AromaticContact CE1-NE2 3.78Å; H27-E29 HydrophobicContact CB-CG 4Å; H27-E29 PolarHBondContact O-N 3.02Å; H27-C30 HydrophobicContact CB-CB 3.89Å; H27-C30 CarbonylContact O-C 3.5Å; H27-C30 WeakPolarHBondContact O-CA 3.49Å; H27-C30 VanDerWaalsContact O-CB 3.28Å; H27-C30 WeakPolarHBondContact O-CB 3.21Å; H27-C30 PolarHBondContact O-N 2.84Å; H27-F31 PolarHBondContact O-N 3.48Å; H27-F31 VanDerWaalsContact O-N 3.11Å
28	P	94.4	Very high	95.4	Very high	45 Å²	45	61.5 Å²	61.5	29%	0.292	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-53.4	-41.1	179.5	-29.1	34.6	0	0	0	113.3	S17 L19 C30 F31 A41	S17-P28 WeakPolarHBondContact O-CD 3.22Å; L19-P28 HydrophobicContact CB-CG 4.48Å; P28-C30 PolarHBondContact O-N 3.18Å; P28-F31 PolarHBondContact O-N 3.32Å; P28-A41 HydrophobicContact CB-CB 4.18Å
29	E	94.9	Very high	95.6	Very high	133 Å²	133	60.8 Å²	60.8	62%	0.621	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.1	-20	174	65.1	-177.5	76.5	0	0	114.1	H27 V32	H27-E29 HydrophobicContact CB-CG 4Å; H27-E29 PolarHBondContact O-N 3.02Å; E29-V32 WeakPolarHBondContact O-CG1 3.32Å
30	C	96.4	Very high	95.7	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.047	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-90.9	-18	178.8	-78	0	0	0	0	112.4	K8 H27 P28 V32	K8-C30 HydrophobicContact CB-CB 3.92Å; K8-C30 HydrophobicContact CD-CB 4Å; K8-C30 WeakPolarHBondContact CD-O 3.41Å; K8-C30 HydrophobicContact CG-CB 4.45Å; H27-C30 HydrophobicContact CB-CB 3.89Å; H27-C30 CarbonylContact O-C 3.5Å; H27-C30 WeakPolarHBondContact O-CA 3.49Å; H27-C30 VanDerWaalsContact O-CB 3.28Å; H27-C30 WeakPolarHBondContact O-CB 3.21Å; H27-C30 PolarHBondContact O-N 2.84Å; P28-C30 PolarHBondContact O-N 3.18Å; C30-V32 PolarHBondContact O-N 2.84Å; C30-V32 VanDerWaalsContact O-N 3.09Å
31	F	97.4	Very high	95.7	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	29%	0.294	C	S	.	.			trans	-83.8	88.8	174.5	-166.4	-111.6	0	0	0	109.2	L19 A21 L22 W26 H27 P28 L40 F45 P52	L19-F31 HydrophobicContact CD2-CB 3.4Å; L19-F31 HydrophobicContact CD2-CD1 3.4Å; L19-F31 HydrophobicContact CD2-CD2 4.34Å; L19-F31 HydrophobicContact CD2-CE1 4.25Å; L19-F31 HydrophobicContact CD2-CG 3.46Å; L19-F31 VanDerWaalsContact CD2-CG 3.46Å; A21-F31 HydrophobicContact CB-CD2 4.29Å; A21-F31 HydrophobicContact CB-CE1 4.18Å; A21-F31 HydrophobicContact CB-CE2 3.68Å; A21-F31 HydrophobicContact CB-CZ 3.62Å; L22-F31 HydrophobicContact CD1-CE2 4.15Å; L22-F31 HydrophobicContact CG-CE2 4.31Å; W26-F31 HydrophobicContact CB-CB 4.03Å; W26-F31 HydrophobicContact CB-CD2 4.44Å; W26-F31 AromaticContact CD1-CD2 3.94Å; W26-F31 AromaticContact CD2-CD2 3.68Å; W26-F31 HydrophobicContact CD2-CD2 3.68Å; W26-F31 HydrophobicContact CD2-CE2 4.41Å; W26-F31 AromaticContact CE2-CD2 3.82Å; W26-F31 HydrophobicContact CE3-CD2 4.14Å; W26-F31 HydrophobicContact CG-CB 4.28Å; W26-F31 AromaticContact CG-CD2 3.79Å; W26-F31 HydrophobicContact CG-CD2 3.79Å; W26-F31 HydrophobicContact CG-CG 4.41Å; W26-F31 HydrophobicContact CZ2-CD2 4.41Å; W26-F31 HydrophobicContact CZ2-CE2 4.41Å; W26-F31 AromaticContact NE1-CD2 3.97Å; H27-F31 PolarHBondContact O-N 3.48Å; H27-F31 VanDerWaalsContact O-N 3.11Å; P28-F31 PolarHBondContact O-N 3.32Å; F31-L40 HydrophobicContact CD1-CB 3.61Å; F31-L40 HydrophobicContact CE1-CB 3.7Å; F31-L40 PolarHBondContact O-N 3.4Å; F31-F45 AromaticContact CE1-CD1 3.72Å; F31-F45 HydrophobicContact CE1-CD1 3.72Å; F31-F45 AromaticContact CE1-CE1 3.54Å; F31-F45 HydrophobicContact CE1-CE1 3.54Å; F31-F45 HydrophobicContact CE1-CE2 4.37Å; F31-F45 HydrophobicContact CE1-CG 4.23Å; F31-F45 AromaticContact CE1-CZ 3.9Å; F31-F45 HydrophobicContact CE1-CZ 3.9Å; F31-F45 HydrophobicContact CZ-CD1 4.13Å; F31-F45 HydrophobicContact CZ-CD2 4.16Å; F31-F45 AromaticContact CZ-CE1 3.79Å; F31-F45 HydrophobicContact CZ-CE1 3.79Å; F31-F45 AromaticContact CZ-CE2 3.82Å; F31-F45 HydrophobicContact CZ-CE2 3.82Å; F31-F45 HydrophobicContact CZ-CG 4.33Å; F31-F45 AromaticContact CZ-CZ 3.63Å; F31-F45 HydrophobicContact CZ-CZ 3.63Å; F31-P52 HydrophobicContact CD2-CG 4.31Å; F31-P52 HydrophobicContact CE2-CB 3.92Å; F31-P52 HydrophobicContact CE2-CG 3.82Å; F31-P52 HydrophobicContact CZ-CB 3.83Å; F31-P52 HydrophobicContact CZ-CG 4.22Å
32	V	97.7	Very high	95.6	Very high	12 Å²	12	64.3 Å²	64.3	7%	0.073	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-128	155.5	-171.3	-63.9	0	0	0	0	111	K8 E29 C30 T34 K37 R38 T39	K8-V32 HydrophobicContact CD-CG2 4.02Å; E29-V32 WeakPolarHBondContact O-CG1 3.32Å; C30-V32 PolarHBondContact O-N 2.84Å; C30-V32 VanDerWaalsContact O-N 3.09Å; V32-T34 PolarHBondContact O-N 2.9Å; V32-K37 WeakPolarHBondContact CB-O 3.43Å; V32-K37 WeakPolarHBondContact CG1-O 3.35Å; V32-R38 CarbonylContact C-O 3.57Å; V32-R38 WeakPolarHBondContact CA-O 2.98Å; V32-R38 WeakPolarHBondContact CB-O 3.16Å; V32-T39 HydrophobicContact CG1-CG2 4.11Å
33	C	98.3	Very high	95.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.			trans	-58.3	130.2	172.9	174.1	0	0	0	0	110.7	I35 C36 K37 R38 L40 P52 C54	C33-I35 PolarHBondContact O-N 3.15Å; C33-I35 VanDerWaalsContact O-N 3.14Å; C33-I35 PolarHBondContact SG-N 3.4Å; C33-I35 VanDerWaalsContact SG-N 3.42Å; C33-C36 VanDerWaalsContact SG-SG 3.66Å; C33-K37 WeakPolarHBondContact O-CA 3.44Å; C33-K37 PolarHBondContact O-N 3.35Å; C33-R38 PolarHBondContact N-O 2.97Å; C33-L40 HydrophobicContact CB-CD1 4.18Å; C33-L40 HydrophobicContact CB-CD2 4.34Å; C33-L40 HydrophobicContact CB-CG 4.38Å; C33-P52 CarbonylContact C-O 3.56Å; C33-P52 WeakPolarHBondContact CA-O 3.18Å; C33-C54 HydrophobicContact CB-CB 4.09Å; C33-C54 PolarHBondContact SG-N 2.84Å; C33-C54 VanDerWaalsContact SG-N 3.37Å
34	T	97.2	Very high	95.6	Very high	43 Å²	43	62.8 Å²	62.8	26%	0.264	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.3	-179.5	-61.7	0	0	0	0	112.8	V32 K37 D51 P52 F53	V32-T34 PolarHBondContact O-N 2.9Å; T34-K37 WeakPolarHBondContact O-CE 3.47Å; T34-K37 PolarHBondContact O-NZ 3.14Å; T34-D51 HydrophobicContact CG2-CB 4.28Å; T34-D51 WeakPolarHBondContact OG1-CB 3.26Å; T34-D51 PolarHBondContact OG1-OD1 3.08Å; T34-P52 PolarHBondContact N-O 3.47Å; T34-P52 PolarHBondContact OG1-O 3.42Å; T34-F53 HydrophobicContact CG2-CE1 4.22Å; T34-F53 HydrophobicContact CG2-CZ 4.39Å
35	I	97.8	Very high	95.7	Very high	74 Å²	74	62.5 Å²	62.5	38%	0.379	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-69.1	178.3	-62.5	173.9	0	0	0	111.5	C33 K37 F53 C57 N61 F62	C33-I35 PolarHBondContact O-N 3.15Å; C33-I35 VanDerWaalsContact O-N 3.14Å; C33-I35 PolarHBondContact SG-N 3.4Å; C33-I35 VanDerWaalsContact SG-N 3.42Å; I35-K37 PolarHBondContact O-N 3.06Å; I35-F53 HydrophobicContact CD1-CD1 3.86Å; I35-F53 HydrophobicContact CD1-CE1 3.92Å; I35-F53 HydrophobicContact CG1-CD1 3.9Å; I35-F53 HydrophobicContact CG1-CE1 3.83Å; I35-C57 HydrophobicContact CB-CB 4.2Å; I35-C57 HydrophobicContact CD1-CB 4.17Å; I35-N61 HydrophobicContact CD1-CB 4.11Å; I35-F62 HydrophobicContact CD1-CE2 4.41Å; I35-F62 HydrophobicContact CD1-CZ 4.41Å
36	C	97.8	Very high	95.8	Very high	61 Å²	61	62.3 Å²	62.3	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3	-171.6	67	0	0	0	0	115	C33 R38 C54 C57	C33-C36 VanDerWaalsContact SG-SG 3.66Å; C36-R38 PolarHBondContact O-N 2.82Å; C36-C54 VanDerWaalsContact SG-SG 3.68Å; C36-C57 VanDerWaalsContact SG-SG 3.65Å
37	K	96.7	Very high	95.9	Very high	129 Å²	129	64.1 Å²	64.1	56%	0.561	34%	0.339	S	S	*	.			trans	59.7	12.9	-179.7	-46.1	-53.8	-176.3	-171.9	0	115.7	V32 C33 T34 I35	V32-K37 WeakPolarHBondContact CB-O 3.43Å; V32-K37 WeakPolarHBondContact CG1-O 3.35Å; C33-K37 WeakPolarHBondContact O-CA 3.44Å; C33-K37 PolarHBondContact O-N 3.35Å; T34-K37 WeakPolarHBondContact O-CE 3.47Å; T34-K37 PolarHBondContact O-NZ 3.14Å; I35-K37 PolarHBondContact O-N 3.06Å
38	R	96.2	Very high	95.9	Very high	147 Å²	147	67.1 Å²	67.1	56%	0.555	35%	0.352	S	S	*	.			trans	-64.7	139.8	170.6	-175.6	-179.9	-62.9	-168.6	-0.8	110.7	V32 C33 C36	V32-R38 CarbonylContact C-O 3.57Å; V32-R38 WeakPolarHBondContact CA-O 2.98Å; V32-R38 WeakPolarHBondContact CB-O 3.16Å; C33-R38 PolarHBondContact N-O 2.97Å; C36-R38 PolarHBondContact O-N 2.82Å
39	T	96.2	Very high	95.9	Very high	71 Å²	71	71.2 Å²	71.2	44%	0.436	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-60.6	138.8	174.4	55.4	0	0	0	0	111.8	V32 Q43	V32-T39 HydrophobicContact CG1-CG2 4.11Å; T39-Q43 PolarHBondContact O-NE2 3.23Å
40	L	97.7	Very high	95.8	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	37%	0.367	C	S	.	.			trans	-116.4	1.9	-178.8	-62.9	178.2	0	0	0	112.4	F31 C33 D42 Q43 F45 P52 C54	F31-L40 HydrophobicContact CD1-CB 3.61Å; F31-L40 HydrophobicContact CE1-CB 3.7Å; F31-L40 PolarHBondContact O-N 3.4Å; C33-L40 HydrophobicContact CB-CD1 4.18Å; C33-L40 HydrophobicContact CB-CD2 4.34Å; C33-L40 HydrophobicContact CB-CG 4.38Å; L40-D42 PolarHBondContact O-N 3.47Å; L40-D42 VanDerWaalsContact O-N 3.11Å; L40-Q43 PolarHBondContact O-N 3.26Å; L40-F45 HydrophobicContact CB-CB 4.41Å; L40-F45 HydrophobicContact CB-CD1 4.44Å; L40-F45 HydrophobicContact CD1-CB 3.8Å; L40-F45 HydrophobicContact CD1-CG 4.38Å; L40-F45 HydrophobicContact CD2-CB 4.14Å; L40-F45 HydrophobicContact CG-CB 4.34Å; L40-P52 HydrophobicContact CD1-CB 3.69Å; L40-P52 HydrophobicContact CD1-CG 4.25Å; L40-C54 HydrophobicContact CD2-CB 3.66Å
41	A	93.2	Very high	95.7	Very high	41 Å²	41	72.7 Å²	72.7	34%	0.339	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.5	-175.2	0	0	0	0	0	113.9	L19 P28	L19-A41 HydrophobicContact CD2-CB 3.99Å; P28-A41 HydrophobicContact CB-CB 4.18Å
42	D	90.3	Very high	95.7	Very high	161 Å²	161	72.9 Å²	72.9	86%	0.861	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	23.3	-179.1	-162.5	-119.1	0	0	0	112	L40	L40-D42 PolarHBondContact O-N 3.47Å; L40-D42 VanDerWaalsContact O-N 3.11Å
43	Q	91.8	Very high	95.7	Very high	81 Å²	81	73 Å²	73	38%	0.379	38%	0.384	S	S	.	.	S	Bend	trans	-131.2	147.3	-177.4	-73.3	171.9	55.7	0	0	110.3	T39 L40 F45	T39-Q43 PolarHBondContact O-NE2 3.23Å; L40-Q43 PolarHBondContact O-N 3.26Å; Q43-F45 WeakPolarHBondContact O-CD1 3.35Å; Q43-F45 PolarHBondContact O-N 2.84Å
44	S	93.5	Very high	95.7	Very high	106 Å²	106	73.3 Å²	73.3	74%	0.741	39%	0.386	S	S	*	.			trans	-60.7	137	167.7	-51.7	0	0	0	0	110.2
45	F	96.7	Very high	95.6	Very high	71 Å²	71	73.8 Å²	73.8	31%	0.311	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.7	-179.7	63.1	-91.3	0	0	0	110.1	L22 F31 L40 Q43 V47 P52 F53	L22-F45 HydrophobicContact CD2-CE2 4.05Å; F31-F45 AromaticContact CE1-CD1 3.72Å; F31-F45 HydrophobicContact CE1-CD1 3.72Å; F31-F45 AromaticContact CE1-CE1 3.54Å; F31-F45 HydrophobicContact CE1-CE1 3.54Å; F31-F45 HydrophobicContact CE1-CE2 4.37Å; F31-F45 HydrophobicContact CE1-CG 4.23Å; F31-F45 AromaticContact CE1-CZ 3.9Å; F31-F45 HydrophobicContact CE1-CZ 3.9Å; F31-F45 HydrophobicContact CZ-CD1 4.13Å; F31-F45 HydrophobicContact CZ-CD2 4.16Å; F31-F45 AromaticContact CZ-CE1 3.79Å; F31-F45 HydrophobicContact CZ-CE1 3.79Å; F31-F45 AromaticContact CZ-CE2 3.82Å; F31-F45 HydrophobicContact CZ-CE2 3.82Å; F31-F45 HydrophobicContact CZ-CG 4.33Å; F31-F45 AromaticContact CZ-CZ 3.63Å; F31-F45 HydrophobicContact CZ-CZ 3.63Å; L40-F45 HydrophobicContact CB-CB 4.41Å; L40-F45 HydrophobicContact CB-CD1 4.44Å; L40-F45 HydrophobicContact CD1-CB 3.8Å; L40-F45 HydrophobicContact CD1-CG 4.38Å; L40-F45 HydrophobicContact CD2-CB 4.14Å; L40-F45 HydrophobicContact CG-CB 4.34Å; Q43-F45 WeakPolarHBondContact O-CD1 3.35Å; Q43-F45 PolarHBondContact O-N 2.84Å; F45-V47 HydrophobicContact CD2-CG2 3.83Å; F45-V47 HydrophobicContact CE2-CG2 3.64Å; F45-P52 HydrophobicContact CD2-CB 4.14Å; F45-F53 CarbonylContact C-O 3.47Å; F45-F53 VanDerWaalsContact CA-O 3.27Å; F45-F53 WeakPolarHBondContact CA-O 3.47Å; F45-F53 WeakPolarHBondContact CB-O 3.48Å
46	H	96.8	Very high	95.5	Very high	77 Å²	77	75.5 Å²	75.5	36%	0.356	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	159.4	170.5	-63.1	-90.8	0	0	0	109.4	P52 F53 W58	H46-P52 CarbonylContact O-C 3.58Å; H46-P52 WeakPolarHBondContact O-CA 3.18Å; H46-F53 PolarHBondContact N-O 2.67Å; H46-F53 PolarHBondContact O-N 2.94Å; H46-W58 HydrophobicContact CB-CB 4.13Å; H46-W58 HydrophobicContact CB-CD2 3.33Å; H46-W58 HydrophobicContact CB-CE3 3.2Å; H46-W58 HydrophobicContact CB-CG 3.73Å; H46-W58 HydrophobicContact CB-CH2 4.32Å; H46-W58 HydrophobicContact CB-CZ2 4.45Å; H46-W58 HydrophobicContact CB-CZ3 3.72Å; H46-W58 AromaticContact CD2-CD1 3.71Å; H46-W58 AromaticContact CD2-CG 3.46Å; H46-W58 VanDerWaalsContact CD2-CG 3.46Å; H46-W58 AromaticContact CG-CD1 3.82Å; H46-W58 AromaticContact CG-CD2 3.54Å; H46-W58 AromaticContact CG-CE2 3.92Å; H46-W58 AromaticContact CG-CE3 3.97Å; H46-W58 AromaticContact CG-CG 3.5Å; H46-W58 AromaticContact ND1-CE2 3.97Å; H46-W58 AromaticContact ND1-NE1 3.94Å; H46-W58 AromaticContact NE2-CD1 3.85Å
47	V	96.9	Very high	95.5	Very high	60 Å²	60	73.1 Å²	73.1	36%	0.364	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.6	-178.6	-178.9	0	0	0	0	108.7	L22 F45 D51	L22-V47 HydrophobicContact CD1-CG1 4.32Å; L22-V47 HydrophobicContact CD1-CG2 4.23Å; L22-V47 HydrophobicContact CD2-CB 4.29Å; L22-V47 HydrophobicContact CD2-CG1 4.07Å; L22-V47 HydrophobicContact CD2-CG2 3.29Å; L22-V47 HydrophobicContact CG-CG2 4.39Å; F45-V47 HydrophobicContact CD2-CG2 3.83Å; F45-V47 HydrophobicContact CE2-CG2 3.64Å; V47-D51 WeakPolarHBondContact CA-O 3.31Å
48	K	96.1	Very high	95.5	Very high	89 Å²	89	69.1 Å²	69.1	39%	0.387	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.6	169.2	176	-178.6	-174.7	-162.2	0	108.7	D50 D51 F53 W58 F62	K48-D50 VanDerWaalsContact C-N 3.33Å; K48-D50 PolarHBondContact O-N 2.84Å; K48-D51 PolarHBondContact N-O 3.06Å; K48-D51 WeakPolarHBondContact O-CB 3.44Å; K48-D51 PolarHBondContact O-N 2.81Å; K48-D51 VanDerWaalsContact O-N 3.1Å; K48-F53 HydrophobicContact CB-CD2 4.45Å; K48-F53 HydrophobicContact CB-CE2 3.94Å; K48-W58 HydrophobicContact CB-CH2 4.23Å; K48-W58 HydrophobicContact CB-CZ3 3.72Å; K48-F62 HydrophobicContact CD-CD1 3.82Å; K48-F62 HydrophobicContact CD-CE1 3.78Å; K48-F62 HydrophobicContact CD-CG 4.3Å; K48-F62 HydrophobicContact CD-CZ 4.22Å
49	N	94.4	Very high	95.5	Very high	131 Å²	131	66.9 Å²	66.9	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	49.2	-177.6	-52	-32.1	0	0	0	112.3	D51	N49-D51 PolarHBondContact O-N 2.9Å
50	D	92.1	Very high	95.4	Very high	100 Å²	100	68.2 Å²	68.2	54%	0.535	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-0.7	-177.1	-75.1	-113.7	0	0	0	116.7	L22 K24 K48	L22-D50 WeakPolarHBondContact CD1-O 3.49Å; K24-D50 IonicContact NZ-OD1 2.81Å; K24-D50 PolarHBondContact NZ-OD1 2.96Å; K48-D50 VanDerWaalsContact C-N 3.33Å; K48-D50 PolarHBondContact O-N 2.84Å
51	D	95	Very high	95.4	Very high	70 Å²	70	72.6 Å²	72.6	37%	0.374	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.9	179	-85.3	-70.3	0	0	0	111.9	T34 V47 K48 N49 F53	T34-D51 HydrophobicContact CG2-CB 4.28Å; T34-D51 WeakPolarHBondContact OG1-CB 3.26Å; T34-D51 PolarHBondContact OG1-OD1 3.08Å; V47-D51 WeakPolarHBondContact CA-O 3.31Å; K48-D51 PolarHBondContact N-O 3.06Å; K48-D51 WeakPolarHBondContact O-CB 3.44Å; K48-D51 PolarHBondContact O-N 2.81Å; K48-D51 VanDerWaalsContact O-N 3.1Å; N49-D51 PolarHBondContact O-N 2.9Å; D51-F53 HydrophobicContact CB-CE2 3.61Å; D51-F53 HydrophobicContact CB-CZ 3.75Å; D51-F53 WeakPolarHBondContact O-CD2 3.29Å; D51-F53 WeakPolarHBondContact O-CE2 3.42Å
52	P	97.5	Very high	95.5	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.032	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.9	176.7	34.4	-35.1	0	0	0	112.8	L22 F31 C33 T34 L40 F45 H46	L22-P52 HydrophobicContact CD1-CB 4.21Å; L22-P52 HydrophobicContact CD1-CG 4.36Å; F31-P52 HydrophobicContact CD2-CG 4.31Å; F31-P52 HydrophobicContact CE2-CB 3.92Å; F31-P52 HydrophobicContact CE2-CG 3.82Å; F31-P52 HydrophobicContact CZ-CB 3.83Å; F31-P52 HydrophobicContact CZ-CG 4.22Å; C33-P52 CarbonylContact C-O 3.56Å; C33-P52 WeakPolarHBondContact CA-O 3.18Å; T34-P52 PolarHBondContact N-O 3.47Å; T34-P52 PolarHBondContact OG1-O 3.42Å; L40-P52 HydrophobicContact CD1-CB 3.69Å; L40-P52 HydrophobicContact CD1-CG 4.25Å; F45-P52 HydrophobicContact CD2-CB 4.14Å; H46-P52 CarbonylContact O-C 3.58Å; H46-P52 WeakPolarHBondContact O-CA 3.18Å
53	F	98.4	Very high	95.7	Very high	15 Å²	15	67.6 Å²	67.6	7%	0.066	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.7	-179.3	-57.7	-92.3	0	0	0	111.1	T34 I35 F45 H46 K48 D51 W58 F62	T34-F53 HydrophobicContact CG2-CE1 4.22Å; T34-F53 HydrophobicContact CG2-CZ 4.39Å; I35-F53 HydrophobicContact CD1-CD1 3.86Å; I35-F53 HydrophobicContact CD1-CE1 3.92Å; I35-F53 HydrophobicContact CG1-CD1 3.9Å; I35-F53 HydrophobicContact CG1-CE1 3.83Å; F45-F53 CarbonylContact C-O 3.47Å; F45-F53 VanDerWaalsContact CA-O 3.27Å; F45-F53 WeakPolarHBondContact CA-O 3.47Å; F45-F53 WeakPolarHBondContact CB-O 3.48Å; H46-F53 PolarHBondContact N-O 2.67Å; H46-F53 PolarHBondContact O-N 2.94Å; K48-F53 HydrophobicContact CB-CD2 4.45Å; K48-F53 HydrophobicContact CB-CE2 3.94Å; D51-F53 HydrophobicContact CB-CE2 3.61Å; D51-F53 HydrophobicContact CB-CZ 3.75Å; D51-F53 WeakPolarHBondContact O-CD2 3.29Å; D51-F53 WeakPolarHBondContact O-CE2 3.42Å; F53-W58 HydrophobicContact CB-CE3 4.44Å; F53-W58 HydrophobicContact CD2-CE3 4.46Å; F53-F62 HydrophobicContact CB-CE2 4.48Å; F53-F62 AromaticContact CD1-CE2 3.58Å; F53-F62 HydrophobicContact CD1-CE2 3.58Å; F53-F62 HydrophobicContact CD1-CZ 4.12Å; F53-F62 HydrophobicContact CD2-CE2 4.01Å; F53-F62 AromaticContact CE1-CE2 3.65Å; F53-F62 HydrophobicContact CE1-CE2 3.65Å; F53-F62 AromaticContact CE1-CZ 3.7Å; F53-F62 HydrophobicContact CE1-CZ 3.7Å; F53-F62 HydrophobicContact CE2-CE2 4.1Å; F53-F62 HydrophobicContact CE2-CZ 4.31Å; F53-F62 AromaticContact CG-CE2 3.76Å; F53-F62 HydrophobicContact CG-CE2 3.76Å; F53-F62 AromaticContact CZ-CE2 3.93Å; F53-F62 HydrophobicContact CZ-CE2 3.93Å; F53-F62 AromaticContact CZ-CZ 3.82Å; F53-F62 HydrophobicContact CZ-CZ 3.82Å
54	C	97.6	Very high	95.9	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	156.6	172.3	72.3	0	0	0	0	110.6	C33 C36 L40 N56 C57 W58	C33-C54 HydrophobicContact CB-CB 4.09Å; C33-C54 PolarHBondContact SG-N 2.84Å; C33-C54 VanDerWaalsContact SG-N 3.37Å; C36-C54 VanDerWaalsContact SG-SG 3.68Å; L40-C54 HydrophobicContact CD2-CB 3.66Å; C54-N56 PolarHBondContact O-N 2.91Å; C54-C57 PolarHBondContact O-N 2.84Å; C54-C57 VanDerWaalsContact SG-CB 3.59Å; C54-C57 PolarHBondContact SG-N 3.4Å; C54-W58 WeakPolarHBondContact O-CB 3.29Å; C54-W58 PolarHBondContact O-N 3.49Å
55	A	95.3	Very high	96.1	Very high	54 Å²	54	66.3 Å²	66.3	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-52.4	-40	179.8	0	0	0	0	0	113.5	W58 K59	A55-W58 PolarHBondContact O-N 2.56Å; A55-K59 WeakPolarHBondContact O-CB 3.21Å; A55-K59 PolarHBondContact O-N 3.46Å
56	N	95.7	Very high	96.2	Very high	109 Å²	109	63 Å²	63	58%	0.583	32%	0.319	S	S	*	.	H	α-helix	trans	-67.1	-49.2	178.9	-171.7	67.5	0	0	0	112.4	C54 W58 K59 E60	C54-N56 PolarHBondContact O-N 2.91Å; N56-W58 PolarHBondContact O-N 3.18Å; N56-K59 PolarHBondContact O-N 2.98Å; N56-E60 WeakPolarHBondContact O-CG 3.23Å; N56-E60 PolarHBondContact O-N 3.18Å
57	C	97.9	Very high	96.2	Very high	11 Å²	11	61.6 Å²	61.6	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-35	176.6	-74.6	0	0	0	0	111.4	I35 C36 C54 N61	I35-C57 HydrophobicContact CB-CB 4.2Å; I35-C57 HydrophobicContact CD1-CB 4.17Å; C36-C57 VanDerWaalsContact SG-SG 3.65Å; C54-C57 PolarHBondContact O-N 2.84Å; C54-C57 VanDerWaalsContact SG-CB 3.59Å; C54-C57 PolarHBondContact SG-N 3.4Å; C57-N61 WeakPolarHBondContact O-CB 3.49Å; C57-N61 PolarHBondContact O-N 3.09Å; C57-N61 VanDerWaalsContact O-N 3.07Å; C57-N61 PolarHBondContact O-ND2 2.94Å
58	W	96.8	Very high	96.1	Very high	45 Å²	45	62.8 Å²	62.8	17%	0.17	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-49	173.6	-178.4	-90.8	0	0	0	112.1	H46 K48 F53 C54 A55 N56 E60 N61 F62 Q63	H46-W58 HydrophobicContact CB-CB 4.13Å; H46-W58 HydrophobicContact CB-CD2 3.33Å; H46-W58 HydrophobicContact CB-CE3 3.2Å; H46-W58 HydrophobicContact CB-CG 3.73Å; H46-W58 HydrophobicContact CB-CH2 4.32Å; H46-W58 HydrophobicContact CB-CZ2 4.45Å; H46-W58 HydrophobicContact CB-CZ3 3.72Å; H46-W58 AromaticContact CD2-CD1 3.71Å; H46-W58 AromaticContact CD2-CG 3.46Å; H46-W58 VanDerWaalsContact CD2-CG 3.46Å; H46-W58 AromaticContact CG-CD1 3.82Å; H46-W58 AromaticContact CG-CD2 3.54Å; H46-W58 AromaticContact CG-CE2 3.92Å; H46-W58 AromaticContact CG-CE3 3.97Å; H46-W58 AromaticContact CG-CG 3.5Å; H46-W58 AromaticContact ND1-CE2 3.97Å; H46-W58 AromaticContact ND1-NE1 3.94Å; H46-W58 AromaticContact NE2-CD1 3.85Å; K48-W58 HydrophobicContact CB-CH2 4.23Å; K48-W58 HydrophobicContact CB-CZ3 3.72Å; F53-W58 HydrophobicContact CB-CE3 4.44Å; F53-W58 HydrophobicContact CD2-CE3 4.46Å; C54-W58 WeakPolarHBondContact O-CB 3.29Å; C54-W58 PolarHBondContact O-N 3.49Å; A55-W58 PolarHBondContact O-N 2.56Å; N56-W58 PolarHBondContact O-N 3.18Å; W58-E60 PolarHBondContact O-N 2.88Å; W58-N61 PolarHBondContact O-N 2.88Å; W58-F62 HydrophobicContact CD2-CB 3.98Å; W58-F62 AromaticContact CD2-CD2 3.85Å; W58-F62 HydrophobicContact CD2-CD2 3.85Å; W58-F62 HydrophobicContact CD2-CG 4.38Å; W58-F62 HydrophobicContact CE3-CB 4.11Å; W58-F62 AromaticContact CE3-CD2 3.34Å; W58-F62 HydrophobicContact CE3-CD2 3.34Å; W58-F62 HydrophobicContact CE3-CE2 4.1Å; W58-F62 HydrophobicContact CE3-CG 4.05Å; W58-F62 HydrophobicContact CG-CD2 4.4Å; W58-F62 HydrophobicContact CH2-CB 4.38Å; W58-F62 HydrophobicContact CZ2-CB 4.23Å; W58-F62 HydrophobicContact CZ3-CB 4.33Å; W58-F62 AromaticContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CG 4.25Å; W58-F62 WeakPolarHBondContact O-CA 3.33Å; W58-F62 PolarHBondContact O-N 3.42Å; W58-Q63 PolarHBondContact O-N 3.43Å
59	K	95.4	Very high	96.2	Very high	101 Å²	101	60.9 Å²	60.9	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-54.3	-50.8	175.9	-176.9	172.7	177.6	174	0	111.8	A55 N56 N61 Q63 I72	A55-K59 WeakPolarHBondContact O-CB 3.21Å; A55-K59 PolarHBondContact O-N 3.46Å; N56-K59 PolarHBondContact O-N 2.98Å; K59-N61 PolarHBondContact O-N 3.24Å; K59-Q63 HydrophobicContact CB-CG 4.41Å; K59-Q63 WeakPolarHBondContact O-CB 3.4Å; K59-I72 HydrophobicContact CG-CD1 3.93Å; K59-I72 HydrophobicContact CG-CG2 4.29Å; K59-I72 WeakPolarHBondContact O-CD1 3.43Å
60	E	95.4	Very high	96.3	Very high	98 Å²	98	58.3 Å²	58.3	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-73.3	-30.7	-173.8	-65.3	-56.8	106	0	0	114	N56 W58 I72	N56-E60 WeakPolarHBondContact O-CG 3.23Å; N56-E60 PolarHBondContact O-N 3.18Å; W58-E60 PolarHBondContact O-N 2.88Å; E60-I72 VanDerWaalsContact OE1-CD1 3.31Å; E60-I72 WeakPolarHBondContact OE1-CD1 3.47Å
61	N	95.8	Very high	96.6	Very high	93 Å²	93	60.4 Å²	60.4	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-107.8	-22.9	-170.6	-64	-92.7	0	0	0	114.4	I35 C57 W58 K59	I35-N61 HydrophobicContact CD1-CB 4.11Å; C57-N61 WeakPolarHBondContact O-CB 3.49Å; C57-N61 PolarHBondContact O-N 3.09Å; C57-N61 VanDerWaalsContact O-N 3.07Å; C57-N61 PolarHBondContact O-ND2 2.94Å; W58-N61 PolarHBondContact O-N 2.88Å; K59-N61 PolarHBondContact O-N 3.24Å
62	F	95.3	Very high	96.7	Very high	57 Å²	57	58.5 Å²	58.5	25%	0.25	31%	0.311	C	S	.	.	H	α-helix	trans	-130	-17	-170.9	-51.9	-57.6	0	0	0	114.6	I35 K48 F53 W58	I35-F62 HydrophobicContact CD1-CE2 4.41Å; I35-F62 HydrophobicContact CD1-CZ 4.41Å; K48-F62 HydrophobicContact CD-CD1 3.82Å; K48-F62 HydrophobicContact CD-CE1 3.78Å; K48-F62 HydrophobicContact CD-CG 4.3Å; K48-F62 HydrophobicContact CD-CZ 4.22Å; F53-F62 HydrophobicContact CB-CE2 4.48Å; F53-F62 AromaticContact CD1-CE2 3.58Å; F53-F62 HydrophobicContact CD1-CE2 3.58Å; F53-F62 HydrophobicContact CD1-CZ 4.12Å; F53-F62 HydrophobicContact CD2-CE2 4.01Å; F53-F62 AromaticContact CE1-CE2 3.65Å; F53-F62 HydrophobicContact CE1-CE2 3.65Å; F53-F62 AromaticContact CE1-CZ 3.7Å; F53-F62 HydrophobicContact CE1-CZ 3.7Å; F53-F62 HydrophobicContact CE2-CE2 4.1Å; F53-F62 HydrophobicContact CE2-CZ 4.31Å; F53-F62 AromaticContact CG-CE2 3.76Å; F53-F62 HydrophobicContact CG-CE2 3.76Å; F53-F62 AromaticContact CZ-CE2 3.93Å; F53-F62 HydrophobicContact CZ-CE2 3.93Å; F53-F62 AromaticContact CZ-CZ 3.82Å; F53-F62 HydrophobicContact CZ-CZ 3.82Å; W58-F62 HydrophobicContact CD2-CB 3.98Å; W58-F62 AromaticContact CD2-CD2 3.85Å; W58-F62 HydrophobicContact CD2-CD2 3.85Å; W58-F62 HydrophobicContact CD2-CG 4.38Å; W58-F62 HydrophobicContact CE3-CB 4.11Å; W58-F62 AromaticContact CE3-CD2 3.34Å; W58-F62 HydrophobicContact CE3-CD2 3.34Å; W58-F62 HydrophobicContact CE3-CE2 4.1Å; W58-F62 HydrophobicContact CE3-CG 4.05Å; W58-F62 HydrophobicContact CG-CD2 4.4Å; W58-F62 HydrophobicContact CH2-CB 4.38Å; W58-F62 HydrophobicContact CZ2-CB 4.23Å; W58-F62 HydrophobicContact CZ3-CB 4.33Å; W58-F62 AromaticContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CG 4.25Å; W58-F62 WeakPolarHBondContact O-CA 3.33Å; W58-F62 PolarHBondContact O-N 3.42Å
63	Q	95.5	Very high	96.7	Very high	41 Å²	41	58.3 Å²	58.3	19%	0.192	31%	0.31	C	S	.	.	S	Bend	trans	-68.9	138	176.8	-74.8	-65.1	-16	0	0	111.3	W58 K59 R65 I72	W58-Q63 PolarHBondContact O-N 3.43Å; K59-Q63 HydrophobicContact CB-CG 4.41Å; K59-Q63 WeakPolarHBondContact O-CB 3.4Å; Q63-R65 PolarHBondContact O-N 3.46Å; Q63-I72 HydrophobicContact CB-CG2 3.56Å; Q63-I72 HydrophobicContact CG-CG2 4.44Å
64	P	96.3	Very high	96.5	Very high	42 Å²	42	60.7 Å²	60.7	27%	0.273	32%	0.324	S	S	.	.			trans	-54.6	135.6	178.2	-25.9	35.4	0	0	0	111.8	I73 A86	P64-I73 HydrophobicContact CB-CD1 4.49Å; P64-I73 PolarHBondContact O-N 3.1Å; P64-A86 HydrophobicContact CB-CB 3.77Å
65	R	97.7	Very high	96.1	Very high	118 Å²	118	65 Å²	65	45%	0.445	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-108.6	133.3	176.7	-160.7	174.3	-135.6	90.5	5.3	109	Q63 A67 S70 K71	Q63-R65 PolarHBondContact O-N 3.46Å; R65-A67 PolarHBondContact O-N 2.86Å; R65-S70 WeakPolarHBondContact CD-O 3.37Å; R65-S70 WeakPolarHBondContact CG-O 3.31Å; R65-S70 PolarHBondContact NE-O 2.87Å; R65-K71 WeakPolarHBondContact CA-O 3.38Å; R65-K71 WeakPolarHBondContact CG-O 3.36Å
66	C	98.2	Very high	96.1	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.007	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-63.4	122.9	176.2	175	0	0	0	0	110	T68 C69 S70 K71 I73 A86 H88 C91	C66-T68 PolarHBondContact O-N 3.07Å; C66-T68 PolarHBondContact SG-N 3.37Å; C66-C69 VanDerWaalsContact CB-SG 3.59Å; C66-C69 VanDerWaalsContact SG-SG 3.65Å; C66-S70 WeakPolarHBondContact O-CA 3.41Å; C66-S70 PolarHBondContact O-N 3.45Å; C66-K71 PolarHBondContact N-O 2.77Å; C66-I73 HydrophobicContact CB-CD1 4.17Å; C66-I73 HydrophobicContact CB-CG1 4.05Å; C66-A86 CarbonylContact C-O 3.44Å; C66-A86 VanDerWaalsContact CA-O 3.26Å; C66-A86 WeakPolarHBondContact CA-O 3.46Å; C66-H88 WeakPolarHBondContact CB-CE1 3.46Å; C66-H88 WeakPolarHBondContact CB-ND1 3.39Å; C66-H88 PolarHBondContact SG-ND1 2.86Å; C66-H88 VanDerWaalsContact SG-ND1 3.4Å; C66-C91 WeakPolarHBondContact SG-CB 3.48Å
67	A	96.5	Very high	96	Very high	48 Å²	48	66.5 Å²	66.5	40%	0.397	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.3	-179.1	0	0	0	0	0	113.7	R65 R85 A86 Y87	R65-A67 PolarHBondContact O-N 2.86Å; A67-R85 HydrophobicContact CB-CB 3.93Å; A67-R85 HydrophobicContact CB-CG 4.18Å; A67-A86 PolarHBondContact N-O 2.83Å; A67-Y87 HydrophobicContact CB-CD1 4.14Å; A67-Y87 HydrophobicContact CB-CE1 3.58Å
68	T	96.2	Very high	95.8	Very high	84 Å²	84	73 Å²	73	52%	0.515	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-48.7	175.4	-47.7	0	0	0	0	112.5	C66 Y87 C91	C66-T68 PolarHBondContact O-N 3.07Å; C66-T68 PolarHBondContact SG-N 3.37Å; T68-Y87 WeakPolarHBondContact OG1-CD1 3.32Å; T68-C91 HydrophobicContact CG2-CB 4.29Å; T68-C91 PolarHBondContact OG1-O 2.97Å
69	C	96.9	Very high	95.8	Very high	49 Å²	49	75.8 Å²	75.8	33%	0.331	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-2.3	-172.4	73.6	0	0	0	0	114.3	C66 K71 H88	C66-C69 VanDerWaalsContact CB-SG 3.59Å; C66-C69 VanDerWaalsContact SG-SG 3.65Å; C69-K71 PolarHBondContact O-N 3.33Å; C69-H88 PolarHBondContact SG-CE1 3.37Å; C69-H88 PolarHBondContact SG-ND1 3.18Å
70	S	96.9	Very high	95.8	Very high	77 Å²	77	73 Å²	73	54%	0.538	39%	0.387	S	S	.	.			trans	56.8	22.3	179.2	-57.8	0	0	0	0	114.4	R65 C66	R65-S70 WeakPolarHBondContact CD-O 3.37Å; R65-S70 WeakPolarHBondContact CG-O 3.31Å; R65-S70 PolarHBondContact NE-O 2.87Å; C66-S70 WeakPolarHBondContact O-CA 3.41Å; C66-S70 PolarHBondContact O-N 3.45Å
71	K	97.8	Very high	95.8	Very high	144 Å²	144	72.9 Å²	72.9	63%	0.626	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-95.7	147	171.4	-64	-178.3	-178.6	178.8	0	110.3	R65 C66 C69 I73	R65-K71 WeakPolarHBondContact CA-O 3.38Å; R65-K71 WeakPolarHBondContact CG-O 3.36Å; C66-K71 PolarHBondContact N-O 2.77Å; C69-K71 PolarHBondContact O-N 3.33Å; K71-I73 PolarHBondContact O-N 3.42Å
72	I	97.1	Very high	95.7	Very high	30 Å²	30	72.6 Å²	72.6	15%	0.154	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-63.1	131.8	170.8	-65.1	166.8	0	0	0	107.6	K59 E60 Q63	K59-I72 HydrophobicContact CG-CD1 3.93Å; K59-I72 HydrophobicContact CG-CG2 4.29Å; K59-I72 WeakPolarHBondContact O-CD1 3.43Å; E60-I72 VanDerWaalsContact OE1-CD1 3.31Å; E60-I72 WeakPolarHBondContact OE1-CD1 3.47Å; Q63-I72 HydrophobicContact CB-CG2 3.56Å; Q63-I72 HydrophobicContact CG-CG2 4.44Å
73	I	97.5	Very high	95.5	Very high	2 Å²	2	75.3 Å²	75.3	1%	0.01	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-80.8	127.4	174.2	-60.9	170.9	0	0	0	106.8	P64 C66 K71 E77 Y79 A86	P64-I73 HydrophobicContact CB-CD1 4.49Å; P64-I73 PolarHBondContact O-N 3.1Å; C66-I73 HydrophobicContact CB-CD1 4.17Å; C66-I73 HydrophobicContact CB-CG1 4.05Å; K71-I73 PolarHBondContact O-N 3.42Å; I73-E77 HydrophobicContact CG2-CB 4.13Å; I73-Y79 HydrophobicContact CD1-CD2 4.17Å; I73-Y79 HydrophobicContact CD1-CG 4.11Å; I73-Y79 HydrophobicContact CG2-CD1 4.01Å; I73-Y79 HydrophobicContact CG2-CG 4.09Å; I73-A86 HydrophobicContact CD1-CB 3.64Å
74	D	94.4	Very high	95.3	Very high	65 Å²	65	81.6 Å²	81.6	35%	0.348	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-65.4	142.2	-179.9	-172.9	-91.5	0	0	0	110.7	S76 E77	D74-S76 PolarHBondContact O-N 3.49Å; D74-S76 VanDerWaalsContact O-N 3.09Å; D74-S76 VanDerWaalsContact OD1-CB 3.23Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 3.05Å; D74-S76 PolarHBondContact OD1-OG 3.04Å; D74-E77 HydrophobicContact CB-CG 3.98Å; D74-E77 WeakPolarHBondContact CB-OE2 3.42Å; D74-E77 PolarHBondContact N-OE2 3.11Å; D74-E77 WeakPolarHBondContact O-CB 3.44Å; D74-E77 PolarHBondContact O-N 2.91Å
75	P	90.5	Very high	95.3	Very high	97 Å²	97	85.9 Å²	85.9	63%	0.63	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.8	178.7	-25.8	35.5	0	0	0	114.7
76	S	93.5	Very high	95.3	Very high	105 Å²	105	80.8 Å²	80.8	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.4	175.6	71.2	0	0	0	0	113.5	D74	D74-S76 PolarHBondContact O-N 3.49Å; D74-S76 VanDerWaalsContact O-N 3.09Å; D74-S76 VanDerWaalsContact OD1-CB 3.23Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 3.05Å; D74-S76 PolarHBondContact OD1-OG 3.04Å
77	E	94.6	Very high	95.3	Very high	89 Å²	89	81 Å²	81	42%	0.416	43%	0.432	S	S	.	.	S	Bend	trans	-85.8	134.9	-179.8	-71	178.3	91.2	0	0	111.6	I73 D74 H88	I73-E77 HydrophobicContact CG2-CB 4.13Å; D74-E77 HydrophobicContact CB-CG 3.98Å; D74-E77 WeakPolarHBondContact CB-OE2 3.42Å; D74-E77 PolarHBondContact N-OE2 3.11Å; D74-E77 WeakPolarHBondContact O-CB 3.44Å; D74-E77 PolarHBondContact O-N 2.91Å; E77-H88 IonicContact OE1-CD2 3.73Å
78	Q	94.5	Very high	95.4	Very high	147 Å²	147	80 Å²	80	69%	0.687	42%	0.419	S	S	*	.			trans	-74.2	136.4	164	-66.5	-175.5	-46.8	0	0	109.9	K89	Q78-K89 VanDerWaalsContact CB-CE 3.41Å
79	Y	96.2	Very high	95.3	Very high	104 Å²	104	79.6 Å²	79.6	41%	0.408	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	166.7	-177.2	67	-85.9	0	0	0	112.1	I73 T81 A86 Y87	I73-Y79 HydrophobicContact CD1-CD2 4.17Å; I73-Y79 HydrophobicContact CD1-CG 4.11Å; I73-Y79 HydrophobicContact CG2-CD1 4.01Å; I73-Y79 HydrophobicContact CG2-CG 4.09Å; Y79-T81 HydrophobicContact CD2-CG2 3.94Å; Y79-T81 HydrophobicContact CE2-CG2 3.37Å; Y79-A86 HydrophobicContact CD2-CB 3.77Å; Y79-A86 HydrophobicContact CE2-CB 3.83Å; Y79-Y87 VanDerWaalsContact CB-O 3.31Å; Y79-Y87 WeakPolarHBondContact CB-O 3.33Å
80	M	96	Very high	95.3	Very high	41 Å²	41	83.8 Å²	83.8	20%	0.202	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.9	175.4	-65.3	-58.2	-61.9	0	0	110.1	A86 Y87 F92 A102	M80-A86 CarbonylContact O-C 3.58Å; M80-A86 VanDerWaalsContact O-CA 3.32Å; M80-A86 WeakPolarHBondContact O-CA 3.07Å; M80-Y87 PolarHBondContact N-O 3.14Å; M80-Y87 PolarHBondContact O-N 3.42Å; M80-F92 HydrophobicContact CB-CB 4.23Å; M80-F92 HydrophobicContact CB-CD1 4.38Å; M80-F92 HydrophobicContact CB-CG 4.23Å; M80-F92 HydrophobicContact CE-CD1 4.5Å; M80-F92 HydrophobicContact CG-CB 4.15Å; M80-F92 HydrophobicContact CG-CD1 4.18Å; M80-F92 HydrophobicContact CG-CG 4.33Å; M80-A102 HydrophobicContact CG-CB 3.62Å; M80-A102 WeakPolarHBondContact SD-CA 2.91Å; M80-A102 HydrophobicContact SD-CB 3.55Å; M80-A102 VanDerWaalsContact SD-CB 3.55Å
81	T	94.8	Very high	95.3	Very high	97 Å²	97	81.5 Å²	81.5	60%	0.595	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.7	166.9	50.4	0	0	0	0	110	Y79 R85	Y79-T81 HydrophobicContact CD2-CG2 3.94Å; Y79-T81 HydrophobicContact CE2-CG2 3.37Å; T81-R85 CarbonylContact C-O 3.51Å; T81-R85 VanDerWaalsContact CA-O 3.29Å; T81-R85 WeakPolarHBondContact CA-O 3.43Å
82	Y	93	Very high	95.3	Very high	87 Å²	87	74.7 Å²	74.7	34%	0.341	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	130.3	172	-178.4	-97.3	0	0	0	109.9	D84 R85 F106 I108 Y113	Y82-D84 PolarHBondContact O-N 3.25Å; Y82-R85 PolarHBondContact N-O 3.35Å; Y82-R85 WeakPolarHBondContact O-CB 3.27Å; Y82-R85 PolarHBondContact O-N 2.8Å; Y82-F106 HydrophobicContact CD2-CE2 4.37Å; Y82-F106 AromaticContact CD2-CZ 3.75Å; Y82-F106 HydrophobicContact CD2-CZ 3.75Å; Y82-F106 HydrophobicContact CE2-CE2 4.22Å; Y82-F106 AromaticContact CE2-CZ 3.88Å; Y82-F106 HydrophobicContact CE2-CZ 3.88Å; Y82-F106 HydrophobicContact CG-CZ 4.26Å; Y82-I108 HydrophobicContact CE1-CD1 3.47Å; Y82-I108 VanDerWaalsContact CE1-CD1 3.47Å; Y82-I108 VanDerWaalsContact CZ-CD1 3.42Å; Y82-I108 WeakPolarHBondContact OH-CD1 3.28Å; Y82-Y113 AromaticContact CD1-CE1 3.71Å; Y82-Y113 HydrophobicContact CD1-CE1 3.71Å; Y82-Y113 AromaticContact CD1-CZ 3.99Å; Y82-Y113 WeakPolarHBondContact CD1-OH 3.47Å; Y82-Y113 AromaticContact CE1-CE1 3.86Å; Y82-Y113 HydrophobicContact CE1-CE1 3.86Å
83	N	91.2	Very high	95.3	Very high	113 Å²	113	74.9 Å²	74.9	60%	0.604	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	53	-179.5	-165.7	41.3	0	0	0	112.6	R85	N83-R85 PolarHBondContact O-N 2.8Å
84	D	92	Very high	95.3	Very high	173 Å²	173	74.8 Å²	74.8	93%	0.925	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	12.7	-178	-58.5	-72.4	0	0	0	115.6	Y82	Y82-D84 PolarHBondContact O-N 3.25Å
85	R	95.8	Very high	95.4	Very high	132 Å²	132	74 Å²	74	50%	0.498	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.2	175.8	-67.1	174.5	176.4	177.4	0.2	110.4	A67 T81 Y82 N83 Y87	A67-R85 HydrophobicContact CB-CB 3.93Å; A67-R85 HydrophobicContact CB-CG 4.18Å; T81-R85 CarbonylContact C-O 3.51Å; T81-R85 VanDerWaalsContact CA-O 3.29Å; T81-R85 WeakPolarHBondContact CA-O 3.43Å; Y82-R85 PolarHBondContact N-O 3.35Å; Y82-R85 WeakPolarHBondContact O-CB 3.27Å; Y82-R85 PolarHBondContact O-N 2.8Å; N83-R85 PolarHBondContact O-N 2.8Å; R85-Y87 HydrophobicContact CB-CE2 3.6Å; R85-Y87 WeakPolarHBondContact CB-OH 3.4Å; R85-Y87 VanDerWaalsContact CD-OH 3.29Å; R85-Y87 WeakPolarHBondContact CD-OH 3.15Å; R85-Y87 WeakPolarHBondContact O-CE2 3.15Å
86	A	97.7	Very high	95.7	Very high	11 Å²	11	71.8 Å²	71.8	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	149.4	173.9	0	0	0	0	0	110.6	P64 C66 A67 I73 Y79 M80	P64-A86 HydrophobicContact CB-CB 3.77Å; C66-A86 CarbonylContact C-O 3.44Å; C66-A86 VanDerWaalsContact CA-O 3.26Å; C66-A86 WeakPolarHBondContact CA-O 3.46Å; A67-A86 PolarHBondContact N-O 2.83Å; I73-A86 HydrophobicContact CD1-CB 3.64Å; Y79-A86 HydrophobicContact CD2-CB 3.77Å; Y79-A86 HydrophobicContact CE2-CB 3.83Å; M80-A86 CarbonylContact O-C 3.58Å; M80-A86 VanDerWaalsContact O-CA 3.32Å; M80-A86 WeakPolarHBondContact O-CA 3.07Å
87	Y	97.9	Very high	95.9	Very high	6 Å²	6	69.2 Å²	69.2	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.6	179.7	-54.2	-96.3	0	0	0	110	A67 T68 Y79 M80 R85 F92 Y113	A67-Y87 HydrophobicContact CB-CD1 4.14Å; A67-Y87 HydrophobicContact CB-CE1 3.58Å; T68-Y87 WeakPolarHBondContact OG1-CD1 3.32Å; Y79-Y87 VanDerWaalsContact CB-O 3.31Å; Y79-Y87 WeakPolarHBondContact CB-O 3.33Å; M80-Y87 PolarHBondContact N-O 3.14Å; M80-Y87 PolarHBondContact O-N 3.42Å; R85-Y87 HydrophobicContact CB-CE2 3.6Å; R85-Y87 WeakPolarHBondContact CB-OH 3.4Å; R85-Y87 VanDerWaalsContact CD-OH 3.29Å; R85-Y87 WeakPolarHBondContact CD-OH 3.15Å; R85-Y87 WeakPolarHBondContact O-CE2 3.15Å; Y87-F92 HydrophobicContact CD1-CD2 4.08Å; Y87-F92 AromaticContact CD2-CD2 3.8Å; Y87-F92 HydrophobicContact CD2-CD2 3.8Å; Y87-F92 HydrophobicContact CD2-CE2 4.32Å; Y87-F92 HydrophobicContact CE1-CD2 4.4Å; Y87-F92 HydrophobicContact CE2-CD2 4.16Å; Y87-F92 HydrophobicContact CE2-CE2 4.28Å; Y87-F92 HydrophobicContact CG-CB 4.28Å; Y87-F92 AromaticContact CG-CD2 3.78Å; Y87-F92 HydrophobicContact CG-CD2 3.78Å; Y87-F92 HydrophobicContact CG-CG 4.44Å; Y87-Y113 HydrophobicContact CE1-CE2 4.23Å; Y87-Y113 PolarHBondContact OH-OH 2.93Å
88	H	98	Very high	95.9	Very high	27 Å²	27	71.5 Å²	71.5	13%	0.125	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	146.8	161.8	-55.8	100.3	0	0	0	108.9	C66 C69 E77 N90 C91 F92	C66-H88 WeakPolarHBondContact CB-CE1 3.46Å; C66-H88 WeakPolarHBondContact CB-ND1 3.39Å; C66-H88 PolarHBondContact SG-ND1 2.86Å; C66-H88 VanDerWaalsContact SG-ND1 3.4Å; C69-H88 PolarHBondContact SG-CE1 3.37Å; C69-H88 PolarHBondContact SG-ND1 3.18Å; E77-H88 IonicContact OE1-CD2 3.73Å; H88-N90 PolarHBondContact O-N 2.73Å; H88-N90 VanDerWaalsContact O-N 3.15Å; H88-C91 HydrophobicContact CB-CB 3.95Å; H88-C91 WeakPolarHBondContact O-CA 3.32Å; H88-C91 WeakPolarHBondContact O-CB 3.45Å; H88-C91 PolarHBondContact O-N 3.24Å; H88-F92 PolarHBondContact O-N 2.81Å; H88-F92 VanDerWaalsContact O-N 3.08Å
89	K	95.8	Very high	96	Very high	75 Å²	75	68.6 Å²	68.6	33%	0.326	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-53.6	-39.3	178.7	-70.4	-175.3	178.3	178.2	0	112.4	Q78 C91 S100 A102	Q78-K89 VanDerWaalsContact CB-CE 3.41Å; K89-C91 VanDerWaalsContact C-N 3.29Å; K89-C91 PolarHBondContact O-N 3.05Å; K89-S100 PolarHBondContact O-OG 3.35Å; K89-A102 HydrophobicContact CB-CB 3.89Å; K89-A102 HydrophobicContact CD-CB 4.35Å; K89-A102 HydrophobicContact CG-CB 3.88Å
90	N	96	Very high	96	Very high	138 Å²	138	65.2 Å²	65.2	74%	0.738	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-80	-7	177.9	-62.6	81.2	0	0	0	114.2	H88 T93	H88-N90 PolarHBondContact O-N 2.73Å; H88-N90 VanDerWaalsContact O-N 3.15Å; N90-T93 WeakPolarHBondContact O-CG2 3.37Å
91	C	97.7	Very high	96.1	Very high	28 Å²	28	63.3 Å²	63.3	19%	0.189	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-100.5	-13.3	174.6	-71.5	0	0	0	0	112.9	C66 T68 H88 K89 T93	C66-C91 WeakPolarHBondContact SG-CB 3.48Å; T68-C91 HydrophobicContact CG2-CB 4.29Å; T68-C91 PolarHBondContact OG1-O 2.97Å; H88-C91 HydrophobicContact CB-CB 3.95Å; H88-C91 WeakPolarHBondContact O-CA 3.32Å; H88-C91 WeakPolarHBondContact O-CB 3.45Å; H88-C91 PolarHBondContact O-N 3.24Å; K89-C91 VanDerWaalsContact C-N 3.29Å; K89-C91 PolarHBondContact O-N 3.05Å; C91-T93 PolarHBondContact O-N 3.01Å
92	F	97.3	Very high	96.1	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	32%	0.319	C	S	.	.	S	Bend	trans	-94.8	82.5	172.7	-165.3	-109.4	0	0	0	109	M80 Y87 H88 L101 F106 Y113	M80-F92 HydrophobicContact CB-CB 4.23Å; M80-F92 HydrophobicContact CB-CD1 4.38Å; M80-F92 HydrophobicContact CB-CG 4.23Å; M80-F92 HydrophobicContact CE-CD1 4.5Å; M80-F92 HydrophobicContact CG-CB 4.15Å; M80-F92 HydrophobicContact CG-CD1 4.18Å; M80-F92 HydrophobicContact CG-CG 4.33Å; Y87-F92 HydrophobicContact CD1-CD2 4.08Å; Y87-F92 AromaticContact CD2-CD2 3.8Å; Y87-F92 HydrophobicContact CD2-CD2 3.8Å; Y87-F92 HydrophobicContact CD2-CE2 4.32Å; Y87-F92 HydrophobicContact CE1-CD2 4.4Å; Y87-F92 HydrophobicContact CE2-CD2 4.16Å; Y87-F92 HydrophobicContact CE2-CE2 4.28Å; Y87-F92 HydrophobicContact CG-CB 4.28Å; Y87-F92 AromaticContact CG-CD2 3.78Å; Y87-F92 HydrophobicContact CG-CD2 3.78Å; Y87-F92 HydrophobicContact CG-CG 4.44Å; H88-F92 PolarHBondContact O-N 2.81Å; H88-F92 VanDerWaalsContact O-N 3.08Å; F92-L101 HydrophobicContact CD1-CB 3.7Å; F92-L101 HydrophobicContact CE1-CB 3.79Å; F92-L101 PolarHBondContact O-N 3.23Å; F92-F106 AromaticContact CE1-CD1 3.9Å; F92-F106 HydrophobicContact CE1-CD1 3.9Å; F92-F106 AromaticContact CE1-CE1 3.78Å; F92-F106 HydrophobicContact CE1-CE1 3.78Å; F92-F106 HydrophobicContact CE1-CG 4.38Å; F92-F106 HydrophobicContact CE1-CZ 4.16Å; F92-F106 HydrophobicContact CZ-CD1 4.17Å; F92-F106 HydrophobicContact CZ-CD2 4.27Å; F92-F106 AromaticContact CZ-CE1 3.82Å; F92-F106 HydrophobicContact CZ-CE1 3.82Å; F92-F106 AromaticContact CZ-CE2 3.92Å; F92-F106 HydrophobicContact CZ-CE2 3.92Å; F92-F106 HydrophobicContact CZ-CG 4.4Å; F92-F106 AromaticContact CZ-CZ 3.69Å; F92-F106 HydrophobicContact CZ-CZ 3.69Å; F92-Y113 HydrophobicContact CD2-CD2 4.05Å; F92-Y113 HydrophobicContact CD2-CE2 4.08Å; F92-Y113 HydrophobicContact CD2-CG 4.5Å; F92-Y113 AromaticContact CE2-CD1 3.82Å; F92-Y113 HydrophobicContact CE2-CD1 3.82Å; F92-Y113 AromaticContact CE2-CD2 3.63Å; F92-Y113 HydrophobicContact CE2-CD2 3.63Å; F92-Y113 AromaticContact CE2-CE1 3.79Å; F92-Y113 HydrophobicContact CE2-CE1 3.79Å; F92-Y113 AromaticContact CE2-CE2 3.58Å; F92-Y113 HydrophobicContact CE2-CE2 3.58Å; F92-Y113 AromaticContact CE2-CG 3.76Å; F92-Y113 HydrophobicContact CE2-CG 3.76Å; F92-Y113 AromaticContact CE2-CZ 3.68Å; F92-Y113 AromaticContact CZ-CD1 3.89Å; F92-Y113 HydrophobicContact CZ-CD1 3.89Å; F92-Y113 HydrophobicContact CZ-CD2 4.37Å; F92-Y113 HydrophobicContact CZ-CE1 4.12Å; F92-Y113 HydrophobicContact CZ-CG 4.04Å
93	T	97.5	Very high	96	Very high	34 Å²	34	59.3 Å²	59.3	21%	0.209	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-126.7	156.1	-168.1	53.9	0	0	0	0	112.4	N90 C91 A95 H98 Q99	N90-T93 WeakPolarHBondContact O-CG2 3.37Å; C91-T93 PolarHBondContact O-N 3.01Å; T93-A95 PolarHBondContact O-N 3.32Å; T93-H98 WeakPolarHBondContact CB-O 3.48Å; T93-H98 VanDerWaalsContact CG2-O 3.25Å; T93-H98 WeakPolarHBondContact CG2-O 3.35Å; T93-Q99 CarbonylContact C-O 3.52Å; T93-Q99 WeakPolarHBondContact CA-O 3.48Å; T93-Q99 WeakPolarHBondContact CB-O 3.41Å
94	C	97.4	Very high	96.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.332	C	S	.	.			trans	-61.2	130.5	170.4	175.8	0	0	0	0	110.4	A96 C97 H98 Q99 L101 Y113 C115	C94-A96 PolarHBondContact O-N 3.3Å; C94-A96 PolarHBondContact SG-N 3.11Å; C94-A96 VanDerWaalsContact SG-N 3.37Å; C94-C97 VanDerWaalsContact CB-SG 3.54Å; C94-C97 VanDerWaalsContact SG-SG 3.68Å; C94-H98 WeakPolarHBondContact O-CA 3.2Å; C94-H98 PolarHBondContact O-N 3.44Å; C94-Q99 PolarHBondContact N-O 2.83Å; C94-L101 HydrophobicContact CB-CD1 4.35Å; C94-L101 HydrophobicContact CB-CD2 4.21Å; C94-L101 HydrophobicContact CB-CG 4.4Å; C94-Y113 CarbonylContact C-O 3.43Å; C94-Y113 VanDerWaalsContact CA-O 3.23Å; C94-Y113 WeakPolarHBondContact CA-O 3.41Å; C94-C115 HydrophobicContact CB-CB 4.3Å; C94-C115 PolarHBondContact SG-N 3.09Å; C94-C115 VanDerWaalsContact SG-N 3.41Å
95	A	96.4	Very high	96.3	Very high	49 Å²	49	58.1 Å²	58.1	41%	0.405	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22	178.5	0	0	0	0	0	113.2	T93 Y113 Y114	T93-A95 PolarHBondContact O-N 3.32Å; A95-Y113 PolarHBondContact N-O 3.36Å; A95-Y114 HydrophobicContact CB-CD1 4.45Å; A95-Y114 HydrophobicContact CB-CE1 3.9Å; A95-Y114 HydrophobicContact CB-CE2 4.1Å
96	A	96.5	Very high	96.3	Very high	51 Å²	51	54.6 Å²	54.6	42%	0.421	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-53.2	177.3	0	0	0	0	0	112.9	C94 Y114 H118	C94-A96 PolarHBondContact O-N 3.3Å; C94-A96 PolarHBondContact SG-N 3.11Å; C94-A96 VanDerWaalsContact SG-N 3.37Å; A96-Y114 HydrophobicContact CB-CD1 4.16Å; A96-Y114 HydrophobicContact CB-CE1 4.21Å; A96-H118 HydrophobicContact CB-CB 3.64Å
97	C	96.9	Very high	96.2	Very high	51 Å²	51	56.6 Å²	56.6	35%	0.345	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-2.9	-173.5	70.6	0	0	0	0	115.2	C94 Q99 H118	C94-C97 VanDerWaalsContact CB-SG 3.54Å; C94-C97 VanDerWaalsContact SG-SG 3.68Å; C97-Q99 PolarHBondContact O-N 3.01Å; C97-Q99 VanDerWaalsContact SG-CB 3.6Å; C97-H118 VanDerWaalsContact CB-CE1 3.41Å; C97-H118 WeakPolarHBondContact CB-CE1 3.18Å
98	H	96.1	Very high	96	Very high	137 Å²	137	60.4 Å²	60.4	63%	0.634	35%	0.346	S	S	*	.			trans	60.1	10	-178.6	-52.7	92.6	0	0	0	115.5	T93 C94 S100	T93-H98 WeakPolarHBondContact CB-O 3.48Å; T93-H98 VanDerWaalsContact CG2-O 3.25Å; T93-H98 WeakPolarHBondContact CG2-O 3.35Å; C94-H98 WeakPolarHBondContact O-CA 3.2Å; C94-H98 PolarHBondContact O-N 3.44Å; H98-S100 PolarHBondContact O-N 2.77Å
99	Q	96.1	Very high	95.8	Very high	85 Å²	85	63.5 Å²	63.5	40%	0.397	36%	0.359	S	S	.	.			trans	-64.5	136.5	173.4	-168.8	-170.5	27.3	0	0	110.1	T93 C94 C97 L101 K104	T93-Q99 CarbonylContact C-O 3.52Å; T93-Q99 WeakPolarHBondContact CA-O 3.48Å; T93-Q99 WeakPolarHBondContact CB-O 3.41Å; C94-Q99 PolarHBondContact N-O 2.83Å; C97-Q99 PolarHBondContact O-N 3.01Å; C97-Q99 VanDerWaalsContact SG-CB 3.6Å; Q99-L101 PolarHBondContact O-N 2.81Å; Q99-K104 VanDerWaalsContact CD-NZ 3.32Å
100	S	96.4	Very high	95.5	Very high	33 Å²	33	66.3 Å²	66.3	23%	0.231	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-59.3	127.5	170.8	179.7	0	0	0	0	110.7	K89 H98 A102 K104	K89-S100 PolarHBondContact O-OG 3.35Å; H98-S100 PolarHBondContact O-N 2.77Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 WeakPolarHBondContact OG-CB 3.33Å; S100-A102 PolarHBondContact OG-N 2.94Å; S100-K104 WeakPolarHBondContact O-CD 3.36Å; S100-K104 PolarHBondContact O-NZ 2.97Å
101	L	96.8	Very high	95	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	38%	0.382	C	S	.	.			trans	-94.7	5.5	175.7	-60.5	173.6	0	0	0	111.6	F92 C94 Q99 G103 K104 F106 C115	F92-L101 HydrophobicContact CD1-CB 3.7Å; F92-L101 HydrophobicContact CE1-CB 3.79Å; F92-L101 PolarHBondContact O-N 3.23Å; C94-L101 HydrophobicContact CB-CD1 4.35Å; C94-L101 HydrophobicContact CB-CD2 4.21Å; C94-L101 HydrophobicContact CB-CG 4.4Å; Q99-L101 PolarHBondContact O-N 2.81Å; L101-G103 PolarHBondContact O-N 3.47Å; L101-K104 PolarHBondContact O-N 3.42Å; L101-F106 HydrophobicContact CB-CB 4.4Å; L101-F106 HydrophobicContact CD1-CB 3.77Å; L101-F106 HydrophobicContact CD1-CG 4.42Å; L101-F106 HydrophobicContact CD2-CB 4.17Å; L101-F106 HydrophobicContact CG-CB 4.33Å; L101-C115 HydrophobicContact CD2-CB 3.73Å
102	A	94.9	Very high	94.8	Very high	23 Å²	23	66.5 Å²	66.5	19%	0.19	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	120.4	179.2	0	0	0	0	0	110.8	M80 K89 S100 K104	M80-A102 HydrophobicContact CG-CB 3.62Å; M80-A102 WeakPolarHBondContact SD-CA 2.91Å; M80-A102 HydrophobicContact SD-CB 3.55Å; M80-A102 VanDerWaalsContact SD-CB 3.55Å; K89-A102 HydrophobicContact CB-CB 3.89Å; K89-A102 HydrophobicContact CD-CB 4.35Å; K89-A102 HydrophobicContact CG-CB 3.88Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 WeakPolarHBondContact OG-CB 3.33Å; S100-A102 PolarHBondContact OG-N 2.94Å; A102-K104 PolarHBondContact O-N 2.89Å
103	G	91.5	Very high	94.7	Very high	77 Å²	77	68.3 Å²	68.3	79%	0.794	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	14.7	-177.1	0	0	0	0	0	115	L101	L101-G103 PolarHBondContact O-N 3.47Å
104	K	93.8	Very high	94.7	Very high	96 Å²	96	68.8 Å²	68.8	42%	0.417	39%	0.385	S	S	.	.	S	Bend	trans	-114.3	163.4	178.5	-62.2	-179.3	-173	162	0	111.1	Q99 S100 L101 A102 F106	Q99-K104 VanDerWaalsContact CD-NZ 3.32Å; S100-K104 WeakPolarHBondContact O-CD 3.36Å; S100-K104 PolarHBondContact O-NZ 2.97Å; L101-K104 PolarHBondContact O-N 3.42Å; A102-K104 PolarHBondContact O-N 2.89Å; K104-F106 WeakPolarHBondContact O-CD1 3.14Å
105	Q	94.8	Very high	94.7	Very high	165 Å²	165	68.9 Å²	68.9	77%	0.771	39%	0.386	S	S	*	.			trans	-68.5	144.7	166.6	-67.9	179.7	-59.2	0	0	110.3	P116	Q105-P116 HydrophobicContact CB-CG 4.32Å
106	F	96.3	Very high	94.7	Very high	58 Å²	58	70.4 Å²	70.4	25%	0.254	39%	0.391	S	S	.	.			trans	-151.7	161.9	176.7	63.4	-87.9	0	0	0	110.1	Y82 F92 L101 K104 I108 Y113 Y114	Y82-F106 HydrophobicContact CD2-CE2 4.37Å; Y82-F106 AromaticContact CD2-CZ 3.75Å; Y82-F106 HydrophobicContact CD2-CZ 3.75Å; Y82-F106 HydrophobicContact CE2-CE2 4.22Å; Y82-F106 AromaticContact CE2-CZ 3.88Å; Y82-F106 HydrophobicContact CE2-CZ 3.88Å; Y82-F106 HydrophobicContact CG-CZ 4.26Å; F92-F106 AromaticContact CE1-CD1 3.9Å; F92-F106 HydrophobicContact CE1-CD1 3.9Å; F92-F106 AromaticContact CE1-CE1 3.78Å; F92-F106 HydrophobicContact CE1-CE1 3.78Å; F92-F106 HydrophobicContact CE1-CG 4.38Å; F92-F106 HydrophobicContact CE1-CZ 4.16Å; F92-F106 HydrophobicContact CZ-CD1 4.17Å; F92-F106 HydrophobicContact CZ-CD2 4.27Å; F92-F106 AromaticContact CZ-CE1 3.82Å; F92-F106 HydrophobicContact CZ-CE1 3.82Å; F92-F106 AromaticContact CZ-CE2 3.92Å; F92-F106 HydrophobicContact CZ-CE2 3.92Å; F92-F106 HydrophobicContact CZ-CG 4.4Å; F92-F106 AromaticContact CZ-CZ 3.69Å; F92-F106 HydrophobicContact CZ-CZ 3.69Å; L101-F106 HydrophobicContact CB-CB 4.4Å; L101-F106 HydrophobicContact CD1-CB 3.77Å; L101-F106 HydrophobicContact CD1-CG 4.42Å; L101-F106 HydrophobicContact CD2-CB 4.17Å; L101-F106 HydrophobicContact CG-CB 4.33Å; K104-F106 WeakPolarHBondContact O-CD1 3.14Å; F106-I108 HydrophobicContact CD2-CG1 4.33Å; F106-I108 HydrophobicContact CE2-CD1 4.32Å; F106-I108 HydrophobicContact CE2-CG1 4.15Å; F106-Y113 AromaticContact CD2-CD1 3.89Å; F106-Y113 HydrophobicContact CD2-CD1 3.89Å; F106-Y113 AromaticContact CE2-CD1 3.84Å; F106-Y113 HydrophobicContact CE2-CD1 3.84Å; F106-Y113 HydrophobicContact CE2-CE1 4.23Å; F106-Y114 CarbonylContact C-O 3.49Å; F106-Y114 WeakPolarHBondContact CA-O 3.48Å; F106-Y114 VanDerWaalsContact CB-O 3.32Å; F106-Y114 WeakPolarHBondContact CB-O 3.34Å
107	C	96.2	Very high	94.7	Very high	53 Å²	53	75.8 Å²	75.8	36%	0.358	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	157.3	172.5	-60.3	0	0	0	0	110	Y114 V119	C107-Y114 PolarHBondContact N-O 2.84Å; C107-Y114 PolarHBondContact O-N 2.96Å; C107-V119 HydrophobicContact CB-CB 4.5Å; C107-V119 HydrophobicContact CB-CG1 4.08Å; C107-V119 HydrophobicContact CB-CG2 3.54Å
108	I	94.6	Very high	94.6	Very high	87 Å²	87	77.3 Å²	77.3	45%	0.446	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	176.7	-60.4	173.6	0	0	0	107.8	Y82 F106 G112 Y113	Y82-I108 HydrophobicContact CE1-CD1 3.47Å; Y82-I108 VanDerWaalsContact CE1-CD1 3.47Å; Y82-I108 VanDerWaalsContact CZ-CD1 3.42Å; Y82-I108 WeakPolarHBondContact OH-CD1 3.28Å; F106-I108 HydrophobicContact CD2-CG1 4.33Å; F106-I108 HydrophobicContact CE2-CD1 4.32Å; F106-I108 HydrophobicContact CE2-CG1 4.15Å; I108-G112 WeakPolarHBondContact CA-O 3.42Å; I108-Y113 HydrophobicContact CD1-CD1 4.41Å; I108-Y113 HydrophobicContact CD1-CE1 4.05Å; I108-Y113 HydrophobicContact CG1-CD1 3.92Å; I108-Y113 HydrophobicContact CG1-CE1 4.04Å
109	K	93	Very high	94.1	Very high	92 Å²	92	75.3 Å²	75.3	40%	0.4	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140.8	179.7	-166.6	-170.7	177.6	175.2	0	108	N111 G112 Y114 V119	K109-N111 PolarHBondContact O-N 3.16Å; K109-G112 PolarHBondContact N-O 3.46Å; K109-G112 VanDerWaalsContact N-O 3.11Å; K109-G112 WeakPolarHBondContact O-CA 3.45Å; K109-G112 PolarHBondContact O-N 2.82Å; K109-Y114 HydrophobicContact CB-CD2 3.86Å; K109-Y114 HydrophobicContact CB-CE2 3.88Å; K109-Y114 WeakPolarHBondContact O-CE2 3.43Å; K109-V119 PolarHBondContact NZ-OXT 2.89Å
110	D	88.4	Confident	94	Very high	134 Å²	134	74.8 Å²	74.8	72%	0.717	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	39	176.2	-56.1	-55	0	0	0	114.7	G112	D110-G112 PolarHBondContact O-N 3.47Å; D110-G112 VanDerWaalsContact O-N 3.14Å
111	N	87.3	Confident	93.9	Very high	156 Å²	156	77 Å²	77	83%	0.834	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	17.3	-175.9	-165.9	56	0	0	0	115.3	K109	K109-N111 PolarHBondContact O-N 3.16Å
112	G	92.3	Very high	93.7	Very high	13 Å²	13	81.2 Å²	81.2	13%	0.134	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	164.1	173.3	0	0	0	0	0	112.7	I108 K109 D110	I108-G112 WeakPolarHBondContact CA-O 3.42Å; K109-G112 PolarHBondContact N-O 3.46Å; K109-G112 VanDerWaalsContact N-O 3.11Å; K109-G112 WeakPolarHBondContact O-CA 3.45Å; K109-G112 PolarHBondContact O-N 2.82Å; D110-G112 PolarHBondContact O-N 3.47Å; D110-G112 VanDerWaalsContact O-N 3.14Å
113	Y	95.9	Very high	93.6	Very high	40 Å²	40	84.6 Å²	84.6	16%	0.157	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.1	173.6	-55	-69.6	0	0	0	109.5	Y82 Y87 F92 C94 A95 F106 I108	Y82-Y113 AromaticContact CD1-CE1 3.71Å; Y82-Y113 HydrophobicContact CD1-CE1 3.71Å; Y82-Y113 AromaticContact CD1-CZ 3.99Å; Y82-Y113 WeakPolarHBondContact CD1-OH 3.47Å; Y82-Y113 AromaticContact CE1-CE1 3.86Å; Y82-Y113 HydrophobicContact CE1-CE1 3.86Å; Y87-Y113 HydrophobicContact CE1-CE2 4.23Å; Y87-Y113 PolarHBondContact OH-OH 2.93Å; F92-Y113 HydrophobicContact CD2-CD2 4.05Å; F92-Y113 HydrophobicContact CD2-CE2 4.08Å; F92-Y113 HydrophobicContact CD2-CG 4.5Å; F92-Y113 AromaticContact CE2-CD1 3.82Å; F92-Y113 HydrophobicContact CE2-CD1 3.82Å; F92-Y113 AromaticContact CE2-CD2 3.63Å; F92-Y113 HydrophobicContact CE2-CD2 3.63Å; F92-Y113 AromaticContact CE2-CE1 3.79Å; F92-Y113 HydrophobicContact CE2-CE1 3.79Å; F92-Y113 AromaticContact CE2-CE2 3.58Å; F92-Y113 HydrophobicContact CE2-CE2 3.58Å; F92-Y113 AromaticContact CE2-CG 3.76Å; F92-Y113 HydrophobicContact CE2-CG 3.76Å; F92-Y113 AromaticContact CE2-CZ 3.68Å; F92-Y113 AromaticContact CZ-CD1 3.89Å; F92-Y113 HydrophobicContact CZ-CD1 3.89Å; F92-Y113 HydrophobicContact CZ-CD2 4.37Å; F92-Y113 HydrophobicContact CZ-CE1 4.12Å; F92-Y113 HydrophobicContact CZ-CG 4.04Å; C94-Y113 CarbonylContact C-O 3.43Å; C94-Y113 VanDerWaalsContact CA-O 3.23Å; C94-Y113 WeakPolarHBondContact CA-O 3.41Å; A95-Y113 PolarHBondContact N-O 3.36Å; F106-Y113 AromaticContact CD2-CD1 3.89Å; F106-Y113 HydrophobicContact CD2-CD1 3.89Å; F106-Y113 AromaticContact CE2-CD1 3.84Å; F106-Y113 HydrophobicContact CE2-CD1 3.84Å; F106-Y113 HydrophobicContact CE2-CE1 4.23Å; I108-Y113 HydrophobicContact CD1-CD1 4.41Å; I108-Y113 HydrophobicContact CD1-CE1 4.05Å; I108-Y113 HydrophobicContact CG1-CD1 3.92Å; I108-Y113 HydrophobicContact CG1-CE1 4.04Å
114	Y	97.6	Very high	93.8	Very high	43 Å²	43	85.1 Å²	85.1	17%	0.169	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.4	-178	-66.2	-98.8	0	0	0	110.7	A95 A96 F106 C107 K109 H118	A95-Y114 HydrophobicContact CB-CD1 4.45Å; A95-Y114 HydrophobicContact CB-CE1 3.9Å; A95-Y114 HydrophobicContact CB-CE2 4.1Å; A96-Y114 HydrophobicContact CB-CD1 4.16Å; A96-Y114 HydrophobicContact CB-CE1 4.21Å; F106-Y114 CarbonylContact C-O 3.49Å; F106-Y114 WeakPolarHBondContact CA-O 3.48Å; F106-Y114 VanDerWaalsContact CB-O 3.32Å; F106-Y114 WeakPolarHBondContact CB-O 3.34Å; C107-Y114 PolarHBondContact N-O 2.84Å; C107-Y114 PolarHBondContact O-N 2.96Å; K109-Y114 HydrophobicContact CB-CD2 3.86Å; K109-Y114 HydrophobicContact CB-CE2 3.88Å; K109-Y114 WeakPolarHBondContact O-CE2 3.43Å; Y114-H118 HydrophobicContact CD1-CB 4.25Å; Y114-H118 VanDerWaalsContact CD1-O 3.22Å; Y114-H118 WeakPolarHBondContact CD1-O 3.25Å
115	C	97.2	Very high	93.8	Very high	3 Å²	3	84.4 Å²	84.4	2%	0.02	43%	0.434	C	S	.	.			trans	-72.4	159.9	167.4	62.9	0	0	0	0	109.6	C94 L101 E117 H118 V119	C94-C115 HydrophobicContact CB-CB 4.3Å; C94-C115 PolarHBondContact SG-N 3.09Å; C94-C115 VanDerWaalsContact SG-N 3.41Å; L101-C115 HydrophobicContact CD2-CB 3.73Å; C115-E117 PolarHBondContact O-N 3.37Å; C115-H118 PolarHBondContact O-N 3.15Å; C115-H118 PolarHBondContact SG-ND1 3.25Å; C115-V119 WeakPolarHBondContact O-CG2 3.28Å
116	P	96.3	Very high	93.7	Very high	81 Å²	81	78.6 Å²	78.6	53%	0.526	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-55.2	-26.6	-176.9	-27.8	36.2	0	0	0	114.6	Q105 H118	Q105-P116 HydrophobicContact CB-CG 4.32Å; P116-H118 VanDerWaalsContact C-N 3.32Å; P116-H118 PolarHBondContact O-N 3.31Å
117	E	96	Very high	93.5	Very high	164 Å²	164	80.2 Å²	80.2	77%	0.766	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-76.5	-11.2	179.6	-60.3	179.9	109.5	0	0	114.5	C115	C115-E117 PolarHBondContact O-N 3.37Å
118	H	95.1	Very high	93.3	Very high	82 Å²	82	82.5 Å²	82.5	38%	0.38	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-127.8	26.8	-175.5	-62	115.2	0	0	0	113.5	A96 C97 Y114 C115 P116	A96-H118 HydrophobicContact CB-CB 3.64Å; C97-H118 VanDerWaalsContact CB-CE1 3.41Å; C97-H118 WeakPolarHBondContact CB-CE1 3.18Å; Y114-H118 HydrophobicContact CD1-CB 4.25Å; Y114-H118 VanDerWaalsContact CD1-O 3.22Å; Y114-H118 WeakPolarHBondContact CD1-O 3.25Å; C115-H118 PolarHBondContact O-N 3.15Å; C115-H118 PolarHBondContact SG-ND1 3.25Å; P116-H118 VanDerWaalsContact C-N 3.32Å; P116-H118 PolarHBondContact O-N 3.31Å
119	V	85.7	Confident	93.2	Very high	95 Å²	95	82.1 Å²	82.1	58%	0.576	43%	0.425	S	S	*	.			trans	-88.6	0	177.5	-173.5	0	0	0	0	111.1	C107 K109 C115	C107-V119 HydrophobicContact CB-CB 4.5Å; C107-V119 HydrophobicContact CB-CG1 4.08Å; C107-V119 HydrophobicContact CB-CG2 3.54Å; K109-V119 PolarHBondContact NZ-OXT 2.89Å; C115-V119 WeakPolarHBondContact O-CG2 3.28Å

Retrieved 119 of 119 residues in 106 ms (Link to these results)

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