A0A077Z5M8_TRITR Loading...

Mediator of RNA polymerase II transcription subun it 22

AlphaFold DB , UniProt , Accession A0A077Z5M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 aa.

						>A0A077Z5M8_TRITR|A0A077Z5M8
MCGDKPASGVKVKLATSFSDLISDDVMAEDHTPASGEFLLDGTEDEVTKIDPVLKIYHDCDDDWKPCQRRWSIRIPDKYITKPGSAHPKTFDLGVVNLEARIKEDRNCV
					

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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	97.7	Very high	97.7	Very high	65 Å²	65	63.2 Å²	63.2	32%	0.32	37%	0.372	S	S	.	.				0	153	0	-61.6	-63	-72.9	0	0	109.7	K5 V95 V96 N97 L98	M1-K5 CarbonylContact C-O 3.54Å; M1-K5 VanDerWaalsContact CA-O 3.3Å; M1-K5 WeakPolarHBondContact CA-O 3.13Å; M1-K5 WeakPolarHBondContact CE-O 3.46Å; M1-V95 HydrophobicContact CG-CG1 3.65Å; M1-V96 WeakPolarHBondContact CB-O 3.09Å; M1-V96 PolarHBondContact N-O 2.87Å; M1-N97 HydrophobicContact CB-CB 4.18Å; M1-N97 PolarHBondContact O-OD1 3.02Å; M1-L98 WeakPolarHBondContact O-CB 3.43Å; M1-L98 WeakPolarHBondContact O-CG 3.45Å; M1-L98 PolarHBondContact O-N 2.98Å
2	C	97.6	Very high	97.7	Very high	45 Å²	45	58 Å²	58	30%	0.304	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-133.6	101.4	166.7	-178.4	0	0	0	0	107.6	D4 K5 A7 C60	C2-D4 PolarHBondContact O-N 2.65Å; C2-K5 PolarHBondContact N-O 3.46Å; C2-K5 PolarHBondContact O-N 3.41Å; C2-A7 HydrophobicContact CB-CB 4.18Å; C2-C60 WeakPolarHBondContact CA-SG 3.16Å; C2-C60 HydrophobicContact CB-CB 3.8Å; C2-C60 WeakPolarHBondContact CB-SG 3.27Å; C2-C60 WeakPolarHBondContact SG-CA 3.39Å; C2-C60 WeakPolarHBondContact SG-CB 3.02Å; C2-C60 CovalentContact SG-SG 2.03Å; C2-C60 PolarHBondContact SG-SG 3.33Å
3	G	97.2	Very high	97.7	Very high	12 Å²	12	56.4 Å²	56.4	12%	0.124	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-134.8	-164.1	0	0	0	0	0	110.9	K5 N97 E99	G3-K5 PolarHBondContact O-N 2.73Å; G3-N97 PolarHBondContact N-OD1 2.74Å; G3-N97 VanDerWaalsContact N-OD1 3.1Å; G3-E99 WeakPolarHBondContact CA-OE2 3.1Å; G3-E99 VanDerWaalsContact N-CD 3.35Å; G3-E99 PolarHBondContact N-OE2 3.3Å
4	D	97.2	Very high	97.6	Very high	164 Å²	164	53.7 Å²	53.7	88%	0.877	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	6.6	-176.5	-55.4	-35.9	0	0	0	113.5	C2	C2-D4 PolarHBondContact O-N 2.65Å
5	K	97.8	Very high	97.5	Very high	155 Å²	155	50.2 Å²	50.2	67%	0.674	29%	0.291	S	S	*	.	B	Isolated β-bridge	trans	-117.3	148.6	-176	-64.7	-179.2	-175.9	174.4	0	112.3	M1 C2 G3 A7	M1-K5 CarbonylContact C-O 3.54Å; M1-K5 VanDerWaalsContact CA-O 3.3Å; M1-K5 WeakPolarHBondContact CA-O 3.13Å; M1-K5 WeakPolarHBondContact CE-O 3.46Å; C2-K5 PolarHBondContact N-O 3.46Å; C2-K5 PolarHBondContact O-N 3.41Å; G3-K5 PolarHBondContact O-N 2.73Å; K5-A7 PolarHBondContact O-N 2.79Å
6	P	98.3	Very high	97.2	Very high	60 Å²	60	47.1 Å²	47.1	39%	0.39	27%	0.273	S	S	.	.			trans	-51	138.1	162.8	-28	37.1	0	0	0	111.3	S8 A34 S35	P6-S8 PolarHBondContact O-N 3.29Å; P6-A34 WeakPolarHBondContact CB-O 2.95Å; P6-S35 WeakPolarHBondContact CB-O 3.43Å
7	A	98.2	Very high	96.7	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	27%	0.274	C	S	.	.			trans	-90.1	93	177.1	0	0	0	0	0	108.6	C2 K5 V10 T32 G36 L98	C2-A7 HydrophobicContact CB-CB 4.18Å; K5-A7 PolarHBondContact O-N 2.79Å; A7-V10 HydrophobicContact CB-CG2 3.66Å; A7-T32 WeakPolarHBondContact O-CB 3.44Å; A7-T32 PolarHBondContact O-OG1 3.33Å; A7-G36 WeakPolarHBondContact O-CA 3.45Å; A7-L98 HydrophobicContact CB-CD1 3.75Å
8	S	97.8	Very high	96	Very high	75 Å²	75	49.1 Å²	49.1	52%	0.524	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	148.5	179.4	62.5	0	0	0	0	112.2	P6 V10 P33	P6-S8 PolarHBondContact O-N 3.29Å; S8-V10 PolarHBondContact O-N 3.47Å; S8-P33 WeakPolarHBondContact CA-O 3.43Å; S8-P33 WeakPolarHBondContact CB-O 3.34Å
9	G	97.7	Very high	95.1	Very high	50 Å²	50	47.5 Å²	47.5	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	14.3	178.3	0	0	0	0	0	113.8	K11 T32	G9-K11 PolarHBondContact O-N 2.72Å; G9-T32 PolarHBondContact N-O 3.35Å; G9-T32 PolarHBondContact N-OG1 2.62Å; G9-T32 VanDerWaalsContact N-OG1 3.17Å
10	V	97.9	Very high	94.4	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.085	28%	0.282	C	S	.	.			trans	-75.5	124.2	176.9	172.9	0	0	0	0	108.2	A7 S8 V12 H31 T32 I56 Y57 H58 L98	A7-V10 HydrophobicContact CB-CG2 3.66Å; S8-V10 PolarHBondContact O-N 3.47Å; V10-V12 HydrophobicContact CG1-CG1 4.34Å; V10-V12 PolarHBondContact O-N 3.06Å; V10-H31 WeakPolarHBondContact O-CA 3.3Å; V10-T32 HydrophobicContact CB-CG2 4.06Å; V10-T32 WeakPolarHBondContact CB-OG1 3.31Å; V10-T32 PolarHBondContact N-OG1 3.21Å; V10-T32 PolarHBondContact O-N 3.16Å; V10-I56 HydrophobicContact CG1-CG2 3.45Å; V10-I56 VanDerWaalsContact CG1-CG2 3.45Å; V10-Y57 WeakPolarHBondContact CG1-O 3.18Å; V10-H58 HydrophobicContact CG1-CB 4.21Å; V10-H58 HydrophobicContact CG2-CB 4.31Å; V10-L98 HydrophobicContact CG1-CD1 4.24Å; V10-L98 HydrophobicContact CG2-CD1 3.89Å
11	K	97.6	Very high	93.7	Very high	46 Å²	46	53.8 Å²	53.8	20%	0.2	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.8	175.9	-173.7	173.4	-165.4	175.7	0	109.3	G9 E29 Y57	G9-K11 PolarHBondContact O-N 2.72Å; K11-E29 WeakPolarHBondContact CE-OE2 3.4Å; K11-E29 IonicContact NZ-OE1 3.81Å; K11-E29 IonicContact NZ-OE2 3.51Å; K11-E29 PolarHBondContact NZ-OE2 3.46Å; K11-Y57 HydrophobicContact CB-CD2 4.37Å; K11-Y57 HydrophobicContact CG-CD2 4.32Å; K11-Y57 PolarHBondContact N-O 2.76Å; K11-Y57 PolarHBondContact O-N 3.36Å
12	V	98	Very high	92.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.5	175.4	-68.1	0	0	0	0	109.4	V10 E29 D30 T32 F38 L40 L54 K55 I56	V10-V12 HydrophobicContact CG1-CG1 4.34Å; V10-V12 PolarHBondContact O-N 3.06Å; V12-E29 VanDerWaalsContact O-CA 3.31Å; V12-E29 WeakPolarHBondContact O-CA 2.98Å; V12-D30 HydrophobicContact CG2-CB 4.26Å; V12-D30 WeakPolarHBondContact CG2-O 3.39Å; V12-D30 PolarHBondContact N-O 3.27Å; V12-D30 PolarHBondContact O-N 3.25Å; V12-T32 HydrophobicContact CG1-CG2 4.42Å; V12-F38 HydrophobicContact CB-CD2 4.44Å; V12-F38 HydrophobicContact CG1-CD1 4.24Å; V12-F38 HydrophobicContact CG1-CD2 4.39Å; V12-F38 HydrophobicContact CG1-CG 4.19Å; V12-F38 HydrophobicContact CG2-CB 3.96Å; V12-F38 HydrophobicContact CG2-CD2 4.21Å; V12-F38 HydrophobicContact CG2-CG 4.13Å; V12-L40 HydrophobicContact CB-CD1 4.02Å; V12-L40 HydrophobicContact CG2-CD1 3.9Å; V12-L40 HydrophobicContact CG2-CD2 4.28Å; V12-L40 HydrophobicContact CG2-CG 4.26Å; V12-L54 HydrophobicContact CB-CD1 4.42Å; V12-K55 CarbonylContact C-O 3.56Å; V12-K55 WeakPolarHBondContact CA-O 3.48Å; V12-I56 HydrophobicContact CG1-CG1 4.29Å; V12-I56 HydrophobicContact CG1-CG2 4.35Å
13	K	96.7	Very high	91.2	Very high	37 Å²	37	58 Å²	58	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.1	176.8	-57.7	-169.8	174.3	-157.1	0	110.9	V26 A28 E29 L54 K55 Y57	K13-V26 HydrophobicContact CD-CG1 4.45Å; K13-A28 CarbonylContact C-O 3.48Å; K13-A28 WeakPolarHBondContact CA-O 3.35Å; K13-E29 HydrophobicContact CB-CB 4.45Å; K13-E29 WeakPolarHBondContact CE-OE2 3Å; K13-E29 HydrophobicContact CG-CB 3.84Å; K13-E29 IonicContact NZ-OE2 2.65Å; K13-E29 PolarHBondContact NZ-OE2 3.42Å; K13-L54 CarbonylContact O-C 3.45Å; K13-L54 WeakPolarHBondContact O-CA 3Å; K13-K55 HydrophobicContact CB-CB 4.26Å; K13-K55 PolarHBondContact N-O 2.79Å; K13-K55 PolarHBondContact O-N 3.39Å; K13-Y57 HydrophobicContact CB-CE2 4.3Å; K13-Y57 HydrophobicContact CD-CE2 3.8Å; K13-Y57 HydrophobicContact CG-CE2 3.76Å
14	L	96.9	Very high	90.1	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.099	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.8	163.9	-178.5	62.6	0	0	0	107.1	M27 A28 L40 P52 I75	L14-M27 HydrophobicContact CD1-CE 4.06Å; L14-M27 HydrophobicContact CD2-CE 4.36Å; L14-M27 HydrophobicContact CG-CB 4.45Å; L14-M27 HydrophobicContact CG-CE 3.67Å; L14-M27 PolarHBondContact O-N 2.78Å; L14-A28 HydrophobicContact CB-CB 4.23Å; L14-A28 PolarHBondContact N-O 2.69Å; L14-A28 PolarHBondContact O-N 2.83Å; L14-A28 VanDerWaalsContact O-N 3.11Å; L14-L40 HydrophobicContact CB-CB 4.14Å; L14-L40 HydrophobicContact CB-CD1 4.03Å; L14-P52 HydrophobicContact CD1-CB 4.02Å; L14-I75 HydrophobicContact CD1-CD1 3.62Å
15	A	95.4	Very high	89.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.7	-176	0	0	0	0	0	111.4	S19 D25 V26 M27 P52 V53	A15-S19 VanDerWaalsContact CB-OG 3.3Å; A15-S19 WeakPolarHBondContact CB-OG 3.29Å; A15-D25 CarbonylContact C-O 3.55Å; A15-D25 WeakPolarHBondContact CA-O 3.42Å; A15-D25 WeakPolarHBondContact CB-O 3.38Å; A15-V26 HydrophobicContact CB-CG2 4.4Å; A15-M27 WeakPolarHBondContact O-CE 3.47Å; A15-P52 CarbonylContact O-C 3.43Å; A15-P52 WeakPolarHBondContact O-CA 3.44Å; A15-V53 PolarHBondContact N-O 2.63Å; A15-V53 PolarHBondContact O-N 2.91Å
16	T	93.6	Very high	89.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	167.5	169.4	83.4	0	0	0	0	109.7	F18 S19 D25 M27 E44 E46	T16-F18 PolarHBondContact O-N 3.14Å; T16-F18 PolarHBondContact OG1-N 3.26Å; T16-S19 WeakPolarHBondContact O-CB 3.45Å; T16-S19 PolarHBondContact O-N 2.92Å; T16-S19 PolarHBondContact O-OG 2.84Å; T16-D25 HydrophobicContact CG2-CB 4.18Å; T16-D25 PolarHBondContact N-O 3.16Å; T16-D25 WeakPolarHBondContact OG1-CB 3.3Å; T16-D25 PolarHBondContact OG1-OD1 3.04Å; T16-D25 PolarHBondContact OG1-OD2 2.77Å; T16-M27 HydrophobicContact CG2-CE 4.37Å; T16-E44 HydrophobicContact CG2-CG 4.42Å; T16-E46 WeakPolarHBondContact CG2-OE1 3.23Å
17	S	88.7	Confident	89.2	Confident	43 Å²	43	48.7 Å²	48.7	30%	0.301	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.5	-15.3	178.2	73	0	0	0	0	113.8	S19 D51	S17-S19 VanDerWaalsContact C-N 3.3Å; S17-D51 VanDerWaalsContact CB-CG 3.41Å; S17-D51 WeakPolarHBondContact CB-OD1 3.39Å; S17-D51 WeakPolarHBondContact CB-OD2 3.33Å; S17-D51 PolarHBondContact N-O 3.24Å; S17-D51 PolarHBondContact N-OD1 3.4Å; S17-D51 PolarHBondContact OG-OD1 2.93Å; S17-D51 PolarHBondContact OG-OD2 2.91Å
18	F	84.1	Confident	89	Confident	88 Å²	88	49.1 Å²	49.1	39%	0.386	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-82.1	-8.4	178.5	-60.2	-71.9	0	0	0	112.9	T16 D20 L21 I22 D25	T16-F18 PolarHBondContact O-N 3.14Å; T16-F18 PolarHBondContact OG1-N 3.26Å; F18-D20 PolarHBondContact O-N 3.42Å; F18-L21 HydrophobicContact CD1-CD1 4.29Å; F18-L21 WeakPolarHBondContact O-CA 3.38Å; F18-L21 VanDerWaalsContact O-CB 3.32Å; F18-L21 WeakPolarHBondContact O-CB 3.33Å; F18-L21 PolarHBondContact O-N 3.26Å; F18-I22 HydrophobicContact CB-CD1 4.26Å; F18-I22 HydrophobicContact CB-CG1 4.24Å; F18-I22 PolarHBondContact O-N 3.1Å; F18-D25 WeakPolarHBondContact CA-OD2 3.37Å; F18-D25 WeakPolarHBondContact CB-OD2 3.43Å
19	S	79.2	Confident	89	Confident	18 Å²	18	50.1 Å²	50.1	13%	0.126	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.1	-11.7	-174.8	56.9	0	0	0	0	117.2	A15 T16 S17 I22 D25 K55	A15-S19 VanDerWaalsContact CB-OG 3.3Å; A15-S19 WeakPolarHBondContact CB-OG 3.29Å; T16-S19 WeakPolarHBondContact O-CB 3.45Å; T16-S19 PolarHBondContact O-N 2.92Å; T16-S19 PolarHBondContact O-OG 2.84Å; S17-S19 VanDerWaalsContact C-N 3.3Å; S19-I22 CarbonylContact C-O 3.53Å; S19-I22 VanDerWaalsContact CA-O 3.31Å; S19-I22 WeakPolarHBondContact CA-O 3.46Å; S19-D25 PolarHBondContact N-OD2 3.44Å; S19-D25 VanDerWaalsContact N-OD2 3.11Å; S19-K55 WeakPolarHBondContact OG-CE 3.09Å; S19-K55 PolarHBondContact OG-NZ 3.35Å
20	D	80	Confident	89	Confident	86 Å²	86	51.8 Å²	51.8	46%	0.46	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-89.5	-11.6	169.3	-68.7	-51.2	0	0	0	113.1	F18 K55 R70	F18-D20 PolarHBondContact O-N 3.42Å; D20-K55 IonicContact OD1-NZ 3.61Å; D20-K55 PolarHBondContact OD1-NZ 2.01Å; D20-K55 IonicContact OD2-NZ 3.16Å; D20-K55 PolarHBondContact OD2-NZ 2.8Å; D20-R70 IonicContact OD1-CZ 2.72Å; D20-R70 VanDerWaalsContact OD1-CZ 3.25Å; D20-R70 IonicContact OD1-NH1 3.2Å; D20-R70 PolarHBondContact OD1-NH1 3.1Å; D20-R70 IonicContact OD1-NH2 3.27Å; D20-R70 PolarHBondContact OD1-NH2 2.89Å; D20-R70 IonicContact OD2-NH2 3.78Å
21	L	79.9	Confident	89	Confident	142 Å²	142	55.7 Å²	55.7	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-38.1	179.1	-57.4	176.1	0	0	0	111.5	F18	F18-L21 HydrophobicContact CD1-CD1 4.29Å; F18-L21 WeakPolarHBondContact O-CA 3.38Å; F18-L21 VanDerWaalsContact O-CB 3.32Å; F18-L21 WeakPolarHBondContact O-CB 3.33Å; F18-L21 PolarHBondContact O-N 3.26Å
22	I	75.1	Confident	89.1	Confident	85 Å²	85	53.9 Å²	53.9	44%	0.436	29%	0.292	S	S	.	.			trans	-138.2	150.3	-178.9	61.8	-177.1	0	0	0	110.1	F18 S19 D24 D25	F18-I22 HydrophobicContact CB-CD1 4.26Å; F18-I22 HydrophobicContact CB-CG1 4.24Å; F18-I22 PolarHBondContact O-N 3.1Å; S19-I22 CarbonylContact C-O 3.53Å; S19-I22 VanDerWaalsContact CA-O 3.31Å; S19-I22 WeakPolarHBondContact CA-O 3.46Å; I22-D24 VanDerWaalsContact CB-OD1 3.3Å; I22-D24 WeakPolarHBondContact CB-OD1 3.39Å; I22-D24 WeakPolarHBondContact CD1-OD1 3.46Å; I22-D24 WeakPolarHBondContact CG1-OD1 3.38Å; I22-D25 WeakPolarHBondContact CD1-OD2 3.44Å; I22-D25 WeakPolarHBondContact CG1-OD2 3.42Å
23	S	68.5	Low	89.1	Confident	113 Å²	113	57 Å²	57	79%	0.79	31%	0.312	S	S	*	.	S	Bend	trans	-87.9	-16.3	-169.2	63.4	0	0	0	0	114.9	D25	S23-D25 PolarHBondContact O-N 2.85Å
24	D	73	Confident	89.2	Confident	109 Å²	109	59.4 Å²	59.4	58%	0.583	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.9	-175.7	48.6	-28.6	0	0	0	114.1	I22 V26	I22-D24 VanDerWaalsContact CB-OD1 3.3Å; I22-D24 WeakPolarHBondContact CB-OD1 3.39Å; I22-D24 WeakPolarHBondContact CD1-OD1 3.46Å; I22-D24 WeakPolarHBondContact CG1-OD1 3.38Å; D24-V26 PolarHBondContact O-N 3.1Å
25	D	87.8	Confident	89.2	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.032	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5.5	-174.5	-72	-43.9	0	0	0	116.1	A15 T16 F18 S19 I22 S23 M27	A15-D25 CarbonylContact C-O 3.55Å; A15-D25 WeakPolarHBondContact CA-O 3.42Å; A15-D25 WeakPolarHBondContact CB-O 3.38Å; T16-D25 HydrophobicContact CG2-CB 4.18Å; T16-D25 PolarHBondContact N-O 3.16Å; T16-D25 WeakPolarHBondContact OG1-CB 3.3Å; T16-D25 PolarHBondContact OG1-OD1 3.04Å; T16-D25 PolarHBondContact OG1-OD2 2.77Å; F18-D25 WeakPolarHBondContact CA-OD2 3.37Å; F18-D25 WeakPolarHBondContact CB-OD2 3.43Å; S19-D25 PolarHBondContact N-OD2 3.44Å; S19-D25 VanDerWaalsContact N-OD2 3.11Å; I22-D25 WeakPolarHBondContact CD1-OD2 3.44Å; I22-D25 WeakPolarHBondContact CG1-OD2 3.42Å; S23-D25 PolarHBondContact O-N 2.85Å; D25-M27 PolarHBondContact O-N 2.03Å
26	V	93.4	Very high	89.4	Confident	54 Å²	54	62 Å²	62	33%	0.327	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	111.6	176.7	-179.1	0	0	0	0	109.1	K13 A15 D24	K13-V26 HydrophobicContact CD-CG1 4.45Å; A15-V26 HydrophobicContact CB-CG2 4.4Å; D24-V26 PolarHBondContact O-N 3.1Å
27	M	93.5	Very high	89.6	Confident	26 Å²	26	68.2 Å²	68.2	13%	0.128	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-33.9	-178.5	-61.1	177.3	-83.1	0	0	112.7	L14 A15 T16 D25 E44 I50 P52	L14-M27 HydrophobicContact CD1-CE 4.06Å; L14-M27 HydrophobicContact CD2-CE 4.36Å; L14-M27 HydrophobicContact CG-CB 4.45Å; L14-M27 HydrophobicContact CG-CE 3.67Å; L14-M27 PolarHBondContact O-N 2.78Å; A15-M27 WeakPolarHBondContact O-CE 3.47Å; T16-M27 HydrophobicContact CG2-CE 4.37Å; D25-M27 PolarHBondContact O-N 2.03Å; M27-E44 HydrophobicContact CG-CB 3.93Å; M27-E44 HydrophobicContact CG-CG 3.98Å; M27-E44 HydrophobicContact SD-CB 4.06Å; M27-I50 HydrophobicContact SD-CD1 4.17Å; M27-P52 HydrophobicContact CE-CB 3.97Å
28	A	95.3	Very high	90	Very high	18 Å²	18	69.8 Å²	69.8	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	150.3	175.9	0	0	0	0	0	111.3	K13 L14 L40 D41	K13-A28 CarbonylContact C-O 3.48Å; K13-A28 WeakPolarHBondContact CA-O 3.35Å; L14-A28 HydrophobicContact CB-CB 4.23Å; L14-A28 PolarHBondContact N-O 2.69Å; L14-A28 PolarHBondContact O-N 2.83Å; L14-A28 VanDerWaalsContact O-N 3.11Å; A28-L40 HydrophobicContact CB-CB 4.48Å; A28-L40 HydrophobicContact CB-CD2 4.27Å; A28-D41 VanDerWaalsContact CB-O 3.27Å; A28-D41 WeakPolarHBondContact CB-O 3.45Å
29	E	96.6	Very high	90.7	Very high	96 Å²	96	72 Å²	72	45%	0.449	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.9	170.2	66.5	168.4	-142.7	0	0	111.7	K11 V12 K13	K11-E29 WeakPolarHBondContact CE-OE2 3.4Å; K11-E29 IonicContact NZ-OE1 3.81Å; K11-E29 IonicContact NZ-OE2 3.51Å; K11-E29 PolarHBondContact NZ-OE2 3.46Å; V12-E29 VanDerWaalsContact O-CA 3.31Å; V12-E29 WeakPolarHBondContact O-CA 2.98Å; K13-E29 HydrophobicContact CB-CB 4.45Å; K13-E29 WeakPolarHBondContact CE-OE2 3Å; K13-E29 HydrophobicContact CG-CB 3.84Å; K13-E29 IonicContact NZ-OE2 2.65Å; K13-E29 PolarHBondContact NZ-OE2 3.42Å
30	D	97.8	Very high	91.5	Very high	85 Å²	85	72.8 Å²	72.8	46%	0.455	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	173.5	173.8	-156.5	-1.5	0	0	0	110.9	V12 L40	V12-D30 HydrophobicContact CG2-CB 4.26Å; V12-D30 WeakPolarHBondContact CG2-O 3.39Å; V12-D30 PolarHBondContact N-O 3.27Å; V12-D30 PolarHBondContact O-N 3.25Å; D30-L40 HydrophobicContact CB-CD2 3.84Å
31	H	98.5	Very high	92.2	Very high	96 Å²	96	75 Å²	75	44%	0.444	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.2	168	-65.2	73.5	0	0	0	110	V10	V10-H31 WeakPolarHBondContact O-CA 3.3Å
32	T	98.5	Very high	92.8	Very high	9 Å²	9	69.1 Å²	69.1	6%	0.055	40%	0.396	C	S	.	.			trans	-60	136.3	178.3	58.2	0	0	0	0	110.9	A7 G9 V10 V12 F38	A7-T32 WeakPolarHBondContact O-CB 3.44Å; A7-T32 PolarHBondContact O-OG1 3.33Å; G9-T32 PolarHBondContact N-O 3.35Å; G9-T32 PolarHBondContact N-OG1 2.62Å; G9-T32 VanDerWaalsContact N-OG1 3.17Å; V10-T32 HydrophobicContact CB-CG2 4.06Å; V10-T32 WeakPolarHBondContact CB-OG1 3.31Å; V10-T32 PolarHBondContact N-OG1 3.21Å; V10-T32 PolarHBondContact O-N 3.16Å; V12-T32 HydrophobicContact CG1-CG2 4.42Å; T32-F38 HydrophobicContact CG2-CB 4.19Å; T32-F38 HydrophobicContact CG2-CD1 4.17Å
33	P	98.3	Very high	93.5	Very high	66 Å²	66	69.4 Å²	69.4	43%	0.429	40%	0.402	S	S	.	.			trans	-75.6	-172.5	174.9	31.9	-30.1	0	0	0	110.8	S8 S35 G36 E37	S8-P33 WeakPolarHBondContact CA-O 3.43Å; S8-P33 WeakPolarHBondContact CB-O 3.34Å; P33-S35 WeakPolarHBondContact CG-OG 3.03Å; P33-S35 PolarHBondContact O-N 2.92Å; P33-S35 VanDerWaalsContact O-N 3.12Å; P33-G36 PolarHBondContact O-N 2.65Å; P33-E37 WeakPolarHBondContact CD-O 3.39Å; P33-E37 HydrophobicContact CG-CG 4.2Å
34	A	98.4	Very high	94.5	Very high	87 Å²	87	67.5 Å²	67.5	72%	0.719	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.4	-179.3	0	0	0	0	0	114	P6 G36	P6-A34 WeakPolarHBondContact CB-O 2.95Å; A34-G36 VanDerWaalsContact C-N 3.31Å
35	S	98.2	Very high	95.2	Very high	57 Å²	57	69.3 Å²	69.3	40%	0.399	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-13	175	47.5	0	0	0	0	113.7	P6 P33 E37	P6-S35 WeakPolarHBondContact CB-O 3.43Å; P33-S35 WeakPolarHBondContact CG-OG 3.03Å; P33-S35 PolarHBondContact O-N 2.92Å; P33-S35 VanDerWaalsContact O-N 3.12Å; S35-E37 WeakPolarHBondContact CB-OE1 3.38Å; S35-E37 PolarHBondContact O-N 3.2Å; S35-E37 WeakPolarHBondContact OG-CG 3.3Å; S35-E37 PolarHBondContact OG-OE1 2.77Å
36	G	98.3	Very high	94.8	Very high	19 Å²	19	70.7 Å²	70.7	20%	0.196	40%	0.397	C	S	.	.			trans	75.1	4.7	178.9	0	0	0	0	0	115.2	A7 P33 A34	A7-G36 WeakPolarHBondContact O-CA 3.45Å; P33-G36 PolarHBondContact O-N 2.65Å; A34-G36 VanDerWaalsContact C-N 3.31Å
37	E	98.4	Very high	94.2	Very high	130 Å²	130	75.7 Å²	75.7	61%	0.607	43%	0.427	S	S	*	.			trans	-81	154.4	178.7	69.3	-148.8	153.1	0	0	112	P33 S35	P33-E37 WeakPolarHBondContact CD-O 3.39Å; P33-E37 HydrophobicContact CG-CG 4.2Å; S35-E37 WeakPolarHBondContact CB-OE1 3.38Å; S35-E37 PolarHBondContact O-N 3.2Å; S35-E37 WeakPolarHBondContact OG-CG 3.3Å; S35-E37 PolarHBondContact OG-OE1 2.77Å
38	F	98.2	Very high	93.8	Very high	75 Å²	75	79 Å²	79	33%	0.329	45%	0.449	S	S	.	.			trans	-148	151.8	172.3	64.9	-83.7	0	0	0	110.3	V12 T32 L40 L54 L93	V12-F38 HydrophobicContact CB-CD2 4.44Å; V12-F38 HydrophobicContact CG1-CD1 4.24Å; V12-F38 HydrophobicContact CG1-CD2 4.39Å; V12-F38 HydrophobicContact CG1-CG 4.19Å; V12-F38 HydrophobicContact CG2-CB 3.96Å; V12-F38 HydrophobicContact CG2-CD2 4.21Å; V12-F38 HydrophobicContact CG2-CG 4.13Å; T32-F38 HydrophobicContact CG2-CB 4.19Å; T32-F38 HydrophobicContact CG2-CD1 4.17Å; F38-L40 HydrophobicContact CD2-CG 4.39Å; F38-L54 HydrophobicContact CE2-CD1 3.95Å; F38-L54 HydrophobicContact CE2-CD2 3.88Å; F38-L54 HydrophobicContact CZ-CD1 4.49Å; F38-L54 HydrophobicContact CZ-CD2 3.82Å; F38-L93 HydrophobicContact CZ-CD2 4.3Å
39	L	97.3	Very high	93.4	Very high	135 Å²	135	83.6 Å²	83.6	71%	0.707	47%	0.465	S	S	*	.			trans	-140.6	120.2	169.8	178.7	65.2	0	0	0	106.8	T90	L39-T90 HydrophobicContact CD1-CG2 4.25Å
40	L	96.8	Very high	93.1	Very high	35 Å²	35	80.3 Å²	80.3	18%	0.183	45%	0.45	C	S	.	.			trans	-114.6	135.8	177.5	-65.3	175.1	0	0	0	109.1	V12 L14 A28 D30 F38 L54	V12-L40 HydrophobicContact CB-CD1 4.02Å; V12-L40 HydrophobicContact CG2-CD1 3.9Å; V12-L40 HydrophobicContact CG2-CD2 4.28Å; V12-L40 HydrophobicContact CG2-CG 4.26Å; L14-L40 HydrophobicContact CB-CB 4.14Å; L14-L40 HydrophobicContact CB-CD1 4.03Å; A28-L40 HydrophobicContact CB-CB 4.48Å; A28-L40 HydrophobicContact CB-CD2 4.27Å; D30-L40 HydrophobicContact CB-CD2 3.84Å; F38-L40 HydrophobicContact CD2-CG 4.39Å; L40-L54 HydrophobicContact CD1-CD1 4.03Å
41	D	94.1	Very high	92.8	Very high	132 Å²	132	77.2 Å²	77.2	71%	0.706	43%	0.434	S	S	*	.			trans	-133.6	135.8	169.4	-172.3	4.5	0	0	0	107.6	A28	A28-D41 VanDerWaalsContact CB-O 3.27Å; A28-D41 WeakPolarHBondContact CB-O 3.45Å
42	G	92.5	Very high	92.7	Very high	19 Å²	19	73 Å²	73	20%	0.196	42%	0.415	C	S	.	.			trans	-155.4	154	-172.4	0	0	0	0	0	110.5
43	T	91	Very high	92.6	Very high	91 Å²	91	73.2 Å²	73.2	56%	0.558	42%	0.416	S	S	*	.			trans	-128.3	145	178.9	-62.4	0	0	0	0	108.1	P83	T43-P83 HydrophobicContact CG2-CG 4.27Å
44	E	88.8	Confident	92.5	Very high	72 Å²	72	70.4 Å²	70.4	34%	0.336	40%	0.397	S	S	.	.			trans	-136.3	154.5	165.7	-125.4	-51.2	-108.5	0	0	112.2	T16 M27 I50	T16-E44 HydrophobicContact CG2-CG 4.42Å; M27-E44 HydrophobicContact CG-CB 3.93Å; M27-E44 HydrophobicContact CG-CG 3.98Å; M27-E44 HydrophobicContact SD-CB 4.06Å; E44-I50 HydrophobicContact CB-CG2 3.95Å
45	D	86.9	Confident	92.4	Very high	148 Å²	148	66.5 Å²	66.5	79%	0.791	36%	0.364	S	S	*	.			trans	-105.5	81.5	172.7	-166.7	12.9	0	0	0	111
46	E	79.8	Confident	92.4	Very high	35 Å²	35	64 Å²	64	16%	0.164	35%	0.346	C	S	.	.			trans	-95.1	145.5	172.1	-79.3	-164.4	-176.4	0	0	112.4	T16 T48 I50	T16-E46 WeakPolarHBondContact CG2-OE1 3.23Å; E46-T48 CarbonylContact C-O 3.57Å; E46-T48 WeakPolarHBondContact CB-O 3.27Å; E46-T48 PolarHBondContact O-N 3.29Å; E46-T48 VanDerWaalsContact O-O 3.09Å; E46-T48 PolarHBondContact OE2-OG1 3.01Å; E46-I50 HydrophobicContact CB-CG2 3.99Å; E46-I50 HydrophobicContact CG-CG2 3.96Å
47	V	81.6	Confident	92.3	Very high	158 Å²	158	63.7 Å²	63.7	96%	0.958	34%	0.339	S	S	*	.	S	Bend	trans	-60.9	-34.6	170	179.4	0	0	0	0	111.1
48	T	84.4	Confident	92.2	Very high	97 Å²	97	57.7 Å²	57.7	60%	0.595	31%	0.311	S	S	*	.	S	Bend	trans	-97.5	-177.9	174.2	49.3	0	0	0	0	111.1	E46 I50	E46-T48 CarbonylContact C-O 3.57Å; E46-T48 WeakPolarHBondContact CB-O 3.27Å; E46-T48 PolarHBondContact O-N 3.29Å; E46-T48 VanDerWaalsContact O-O 3.09Å; E46-T48 PolarHBondContact OE2-OG1 3.01Å; T48-I50 PolarHBondContact O-N 2.85Å
49	K	86.1	Confident	92.1	Very high	114 Å²	114	58.3 Å²	58.3	50%	0.496	32%	0.318	S	S	.	.			trans	-72.6	127.5	169.6	-174.1	178.6	177.1	-176.7	0	109.1	D77 I80	K49-D77 WeakPolarHBondContact CD-OD2 3.16Å; K49-D77 VanDerWaalsContact CE-OD2 3.23Å; K49-D77 WeakPolarHBondContact CE-OD2 3.38Å; K49-D77 VanDerWaalsContact NZ-CG 3.28Å; K49-D77 PolarHBondContact NZ-O 2.73Å; K49-D77 VanDerWaalsContact NZ-O 3.09Å; K49-D77 IonicContact NZ-OD2 3.02Å; K49-D77 PolarHBondContact NZ-OD2 3.47Å; K49-I80 HydrophobicContact CD-CD1 4.4Å; K49-I80 HydrophobicContact CG-CD1 4.15Å
50	I	91.1	Very high	92.1	Very high	26 Å²	26	52.4 Å²	52.4	13%	0.133	29%	0.288	C	S	.	.			trans	-53.1	145.7	172.6	63.8	171.1	0	0	0	110.9	M27 E44 E46 T48 P52 I80	M27-I50 HydrophobicContact SD-CD1 4.17Å; E44-I50 HydrophobicContact CB-CG2 3.95Å; E46-I50 HydrophobicContact CB-CG2 3.99Å; E46-I50 HydrophobicContact CG-CG2 3.96Å; T48-I50 PolarHBondContact O-N 2.85Å; I50-P52 WeakPolarHBondContact O-CD 3.41Å; I50-I80 HydrophobicContact CD1-CD1 4.45Å; I50-I80 HydrophobicContact CD1-CG1 4.03Å; I50-I80 HydrophobicContact CD1-CG2 3.86Å; I50-I80 HydrophobicContact CG1-CB 4.5Å; I50-I80 HydrophobicContact CG1-CD1 3.72Å; I50-I80 HydrophobicContact CG1-CG1 3.85Å; I50-I80 HydrophobicContact CG1-CG2 3.82Å; I50-I80 WeakPolarHBondContact O-CD1 3.41Å
51	D	92.6	Very high	92	Very high	20 Å²	20	54.8 Å²	54.8	11%	0.107	30%	0.301	C	S	.	.			trans	-121.3	80.6	174.3	74.8	-24.6	0	0	0	112.9	S17 V53 R74	S17-D51 VanDerWaalsContact CB-CG 3.41Å; S17-D51 WeakPolarHBondContact CB-OD1 3.39Å; S17-D51 WeakPolarHBondContact CB-OD2 3.33Å; S17-D51 PolarHBondContact N-O 3.24Å; S17-D51 PolarHBondContact N-OD1 3.4Å; S17-D51 PolarHBondContact OG-OD1 2.93Å; S17-D51 PolarHBondContact OG-OD2 2.91Å; D51-V53 PolarHBondContact O-N 3.3Å; D51-R74 VanDerWaalsContact CB-NH2 3.31Å; D51-R74 IonicContact OD2-CZ 3.82Å; D51-R74 VanDerWaalsContact OD2-CZ 3.27Å; D51-R74 IonicContact OD2-NH1 2.69Å; D51-R74 PolarHBondContact OD2-NH1 2.82Å; D51-R74 IonicContact OD2-NH2 3.35Å; D51-R74 PolarHBondContact OD2-NH2 2.76Å
52	P	95.4	Very high	92	Very high	8 Å²	8	48.7 Å²	48.7	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.2	-168.3	24.5	-32.3	0	0	0	112.3	L14 A15 M27 I50 I75 I80	L14-P52 HydrophobicContact CD1-CB 4.02Å; A15-P52 CarbonylContact O-C 3.43Å; A15-P52 WeakPolarHBondContact O-CA 3.44Å; M27-P52 HydrophobicContact CE-CB 3.97Å; I50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-I75 HydrophobicContact CB-CB 4.17Å; P52-I75 HydrophobicContact CB-CD1 4.4Å; P52-I75 HydrophobicContact CG-CB 3.96Å; P52-I75 HydrophobicContact CG-CG2 4.24Å; P52-I75 PolarHBondContact O-N 3.36Å; P52-I80 HydrophobicContact CG-CD1 4.08Å; P52-I80 HydrophobicContact CG-CG1 3.82Å
53	V	96.1	Very high	91.8	Very high	13 Å²	13	54 Å²	54	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126	175.8	-178.8	0	0	0	0	107.9	A15 D51 K55 I73	A15-V53 PolarHBondContact N-O 2.63Å; A15-V53 PolarHBondContact O-N 2.91Å; D51-V53 PolarHBondContact O-N 3.3Å; V53-K55 HydrophobicContact CG1-CG 4.1Å; V53-I73 CarbonylContact C-O 3.59Å; V53-I73 WeakPolarHBondContact CA-O 2.93Å
54	L	97.1	Very high	91.5	Very high	7 Å²	7	62 Å²	62	4%	0.037	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.2	165.3	172	64.7	0	0	0	108.5	V12 K13 F38 L40 I56 I73 I75 L93	V12-L54 HydrophobicContact CB-CD1 4.42Å; K13-L54 CarbonylContact O-C 3.45Å; K13-L54 WeakPolarHBondContact O-CA 3Å; F38-L54 HydrophobicContact CE2-CD1 3.95Å; F38-L54 HydrophobicContact CE2-CD2 3.88Å; F38-L54 HydrophobicContact CZ-CD1 4.49Å; F38-L54 HydrophobicContact CZ-CD2 3.82Å; L40-L54 HydrophobicContact CD1-CD1 4.03Å; L54-I56 HydrophobicContact CD1-CG1 4.38Å; L54-I56 HydrophobicContact CD2-CD1 4.15Å; L54-I56 HydrophobicContact CD2-CG1 4.28Å; L54-I56 HydrophobicContact CG-CD1 4.44Å; L54-I56 HydrophobicContact CG-CG1 4.03Å; L54-I73 HydrophobicContact CB-CB 4.33Å; L54-I73 HydrophobicContact CD2-CD1 4.35Å; L54-I73 PolarHBondContact N-O 2.71Å; L54-I73 PolarHBondContact O-N 2.84Å; L54-I75 HydrophobicContact CB-CD1 4.2Å; L54-I75 HydrophobicContact CB-CG1 4.4Å; L54-L93 HydrophobicContact CD2-CD2 3.9Å
55	K	96.2	Very high	91.6	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.022	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.7	172.5	-61.2	-178.1	171.5	-178.5	0	109.8	V12 K13 S19 D20 V53 Y57 W71	V12-K55 CarbonylContact C-O 3.56Å; V12-K55 WeakPolarHBondContact CA-O 3.48Å; K13-K55 HydrophobicContact CB-CB 4.26Å; K13-K55 PolarHBondContact N-O 2.79Å; K13-K55 PolarHBondContact O-N 3.39Å; S19-K55 WeakPolarHBondContact OG-CE 3.09Å; S19-K55 PolarHBondContact OG-NZ 3.35Å; D20-K55 IonicContact OD1-NZ 3.61Å; D20-K55 PolarHBondContact OD1-NZ 2.01Å; D20-K55 IonicContact OD2-NZ 3.16Å; D20-K55 PolarHBondContact OD2-NZ 2.8Å; V53-K55 HydrophobicContact CG1-CG 4.1Å; K55-Y57 HydrophobicContact CB-CD2 4.37Å; K55-Y57 HydrophobicContact CB-CE2 3.51Å; K55-Y57 WeakPolarHBondContact CD-OH 3.35Å; K55-W71 CarbonylContact C-O 3.58Å; K55-W71 VanDerWaalsContact CA-O 3.23Å; K55-W71 WeakPolarHBondContact CA-O 3.36Å
56	I	97.4	Very high	91.8	Very high	4 Å²	4	61 Å²	61	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.6	178.5	-53.1	177.3	0	0	0	107.8	V10 V12 L54 R70 W71 I73 L93 L98	V10-I56 HydrophobicContact CG1-CG2 3.45Å; V10-I56 VanDerWaalsContact CG1-CG2 3.45Å; V12-I56 HydrophobicContact CG1-CG1 4.29Å; V12-I56 HydrophobicContact CG1-CG2 4.35Å; L54-I56 HydrophobicContact CD1-CG1 4.38Å; L54-I56 HydrophobicContact CD2-CD1 4.15Å; L54-I56 HydrophobicContact CD2-CG1 4.28Å; L54-I56 HydrophobicContact CG-CD1 4.44Å; L54-I56 HydrophobicContact CG-CG1 4.03Å; I56-R70 VanDerWaalsContact O-CA 3.27Å; I56-R70 WeakPolarHBondContact O-CA 3.32Å; I56-W71 HydrophobicContact CB-CB 4.28Å; I56-W71 HydrophobicContact CD1-CE3 4.37Å; I56-W71 PolarHBondContact N-O 2.56Å; I56-W71 PolarHBondContact O-N 3.12Å; I56-I73 HydrophobicContact CD1-CD1 4.08Å; I56-L93 HydrophobicContact CD1-CD2 4.16Å; I56-L98 HydrophobicContact CG2-CD2 4.03Å
57	Y	96.7	Very high	92.4	Very high	13 Å²	13	61.1 Å²	61.1	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.4	-177.7	-52.4	-114.7	0	0	0	109.1	V10 K11 K13 K55 R69 R70 N107	V10-Y57 WeakPolarHBondContact CG1-O 3.18Å; K11-Y57 HydrophobicContact CB-CD2 4.37Å; K11-Y57 HydrophobicContact CG-CD2 4.32Å; K11-Y57 PolarHBondContact N-O 2.76Å; K11-Y57 PolarHBondContact O-N 3.36Å; K13-Y57 HydrophobicContact CB-CE2 4.3Å; K13-Y57 HydrophobicContact CD-CE2 3.8Å; K13-Y57 HydrophobicContact CG-CE2 3.76Å; K55-Y57 HydrophobicContact CB-CD2 4.37Å; K55-Y57 HydrophobicContact CB-CE2 3.51Å; K55-Y57 WeakPolarHBondContact CD-OH 3.35Å; Y57-R69 CarbonylContact C-O 3.55Å; Y57-R69 WeakPolarHBondContact CA-O 3.32Å; Y57-R70 HydrophobicContact CD1-CB 4.28Å; Y57-R70 HydrophobicContact CD1-CG 4.06Å; Y57-R70 HydrophobicContact CE1-CG 3.99Å; Y57-R70 HydrophobicContact CG-CG 4.39Å; Y57-N107 HydrophobicContact CD1-CB 3.84Å; Y57-N107 HydrophobicContact CE1-CB 3.81Å; Y57-N107 VanDerWaalsContact CE1-CG 3.45Å
58	H	96.5	Very high	93.1	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.019	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	156.7	-171.4	66.5	95.9	0	0	0	113.4	V10 R69 W71 L98	V10-H58 HydrophobicContact CG1-CB 4.21Å; V10-H58 HydrophobicContact CG2-CB 4.31Å; H58-R69 VanDerWaalsContact CE1-CZ 3.45Å; H58-R69 PolarHBondContact N-O 3.17Å; H58-R69 WeakPolarHBondContact O-CB 3.4Å; H58-R69 PolarHBondContact O-N 2.95Å; H58-W71 AromaticContact NE2-CD1 3.63Å; H58-W71 AromaticContact NE2-CE2 3.84Å; H58-W71 AromaticContact NE2-NE1 3.4Å; H58-W71 PolarHBondContact NE2-NE1 2.95Å; H58-L98 HydrophobicContact CB-CD1 3.85Å; H58-L98 PolarHBondContact CE1-O 3.06Å
59	D	95.5	Very high	93.6	Very high	89 Å²	89	51.9 Å²	51.9	48%	0.476	25%	0.254	S	S	.	.			trans	-112.2	16.1	176.1	-56.8	-54.7	0	0	0	111.9	D61 D62 Q68	D59-D61 PolarHBondContact O-N 3.03Å; D59-D62 HydrophobicContact CB-CB 4.31Å; D59-D62 VanDerWaalsContact O-CB 3.31Å; D59-D62 WeakPolarHBondContact O-CB 3.38Å; D59-D62 PolarHBondContact O-N 2.82Å; D59-D62 VanDerWaalsContact O-N 3.14Å; D59-Q68 WeakPolarHBondContact OD1-CG 3.32Å; D59-Q68 PolarHBondContact OD2-NE2 2.84Å
60	C	96.7	Very high	94.1	Very high	10 Å²	10	47.3 Å²	47.3	7%	0.068	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	125.7	175.5	-174.3	0	0	0	0	110.9	C2 D62 R69 L98	C2-C60 WeakPolarHBondContact CA-SG 3.16Å; C2-C60 HydrophobicContact CB-CB 3.8Å; C2-C60 WeakPolarHBondContact CB-SG 3.27Å; C2-C60 WeakPolarHBondContact SG-CA 3.39Å; C2-C60 WeakPolarHBondContact SG-CB 3.02Å; C2-C60 CovalentContact SG-SG 2.03Å; C2-C60 PolarHBondContact SG-SG 3.33Å; C60-D62 PolarHBondContact O-N 2.95Å; C60-R69 PolarHBondContact O-NH1 2.8Å; C60-L98 HydrophobicContact CB-CB 3.68Å
61	D	95	Very high	94.3	Very high	85 Å²	85	46.5 Å²	46.5	46%	0.455	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	37.1	-176.3	-169.7	43.7	0	0	0	112.4	D59 R101	D59-D61 PolarHBondContact O-N 3.03Å; D61-R101 PolarHBondContact O-NH2 3.11Å; D61-R101 IonicContact OD2-CZ 3.72Å; D61-R101 IonicContact OD2-NE 3.88Å; D61-R101 IonicContact OD2-NH2 2.73Å; D61-R101 PolarHBondContact OD2-NH2 2.75Å
62	D	94.1	Very high	94.5	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	24%	0.243	C	C	.	.			trans	-111	9.5	-172.6	-151.9	24	0	0	0	114.9	D59 C60 W64 K65 R69 R106	D59-D62 HydrophobicContact CB-CB 4.31Å; D59-D62 VanDerWaalsContact O-CB 3.31Å; D59-D62 WeakPolarHBondContact O-CB 3.38Å; D59-D62 PolarHBondContact O-N 2.82Å; D59-D62 VanDerWaalsContact O-N 3.14Å; C60-D62 PolarHBondContact O-N 2.95Å; D62-W64 PolarHBondContact O-N 3.34Å; D62-K65 WeakPolarHBondContact O-CB 3.39Å; D62-K65 WeakPolarHBondContact O-CG 3.31Å; D62-K65 PolarHBondContact O-N 3.48Å; D62-R69 HydrophobicContact CB-CG 4.42Å; D62-R69 WeakPolarHBondContact OD1-CD 3.34Å; D62-R69 WeakPolarHBondContact OD2-CG 3.18Å; D62-R106 IonicContact OD1-CZ 3.36Å; D62-R106 IonicContact OD1-NE 3.25Å; D62-R106 IonicContact OD1-NH2 2.76Å; D62-R106 PolarHBondContact OD1-NH2 2.86Å; D62-R106 IonicContact OD2-CZ 3.53Å; D62-R106 IonicContact OD2-NE 3.16Å; D62-R106 IonicContact OD2-NH2 3.33Å; D62-R106 PolarHBondContact OD2-NH2 3.43Å
63	D	89	Confident	94.5	Very high	130 Å²	130	49.4 Å²	49.4	70%	0.695	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	-133.6	-179.2	-61.2	-47.3	0	0	0	112
64	W	85.4	Confident	94.5	Very high	260 Å²	260	55.8 Å²	55.8	99%	0.985	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	29.5	-179.8	-69.8	32.4	0	0	0	110.8	D62	D62-W64 PolarHBondContact O-N 3.34Å
65	K	90.4	Very high	94.4	Very high	98 Å²	98	56.3 Å²	56.3	43%	0.426	27%	0.274	S	S	.	.			trans	-77.4	134.4	-177.1	-64.1	177.5	-172.3	156.5	0	109.6	D62 R106	D62-K65 WeakPolarHBondContact O-CB 3.39Å; D62-K65 WeakPolarHBondContact O-CG 3.31Å; D62-K65 PolarHBondContact O-N 3.48Å; K65-R106 VanDerWaalsContact CB-NH1 3.33Å; K65-R106 PolarHBondContact O-NH2 3.09Å
66	P	90.2	Very high	94.4	Very high	101 Å²	101	58.8 Å²	58.8	66%	0.656	29%	0.29	S	S	*	.	S	Bend	trans	-64.4	152.8	179.2	28.8	-35.4	0	0	0	110.2	R106	P66-R106 PolarHBondContact O-NH1 2.86Å; P66-R106 PolarHBondContact O-NH2 2.93Å
67	C	93.4	Very high	94.3	Very high	38 Å²	38	62 Å²	62	26%	0.257	31%	0.307	S	S	.	.	S	Bend	trans	71	158.9	-177.8	-37.6	0	0	0	0	113	R106 N107 C108	C67-R106 HydrophobicContact CB-CB 4.37Å; C67-R106 PolarHBondContact O-NH2 3.39Å; C67-N107 VanDerWaalsContact CB-O 3.3Å; C67-N107 WeakPolarHBondContact CB-O 3.39Å; C67-C108 HydrophobicContact CB-CB 3.8Å; C67-C108 WeakPolarHBondContact CB-SG 3.49Å; C67-C108 WeakPolarHBondContact SG-CA 3.34Å; C67-C108 WeakPolarHBondContact SG-CB 3.37Å; C67-C108 CovalentContact SG-SG 2.01Å; C67-C108 PolarHBondContact SG-SG 3.38Å
68	Q	94.9	Very high	94.2	Very high	59 Å²	59	67.7 Å²	67.7	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.5	-180	-56.4	-166.2	-71.6	0	0	111.1	D59 R106 N107	D59-Q68 WeakPolarHBondContact OD1-CG 3.32Å; D59-Q68 PolarHBondContact OD2-NE2 2.84Å; Q68-R106 CarbonylContact O-C 3.52Å; Q68-R106 VanDerWaalsContact O-CA 3.29Å; Q68-R106 WeakPolarHBondContact O-CA 3.3Å; Q68-N107 PolarHBondContact N-O 3.43Å; Q68-N107 PolarHBondContact O-N 3.48Å
69	R	96	Very high	94.1	Very high	1 Å²	1	70.3 Å²	70.3	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.5	164.4	-67.5	164.4	69.3	-164.1	-5.6	109	Y57 H58 C60 D62 L98 A100 R101 E104	Y57-R69 CarbonylContact C-O 3.55Å; Y57-R69 WeakPolarHBondContact CA-O 3.32Å; H58-R69 VanDerWaalsContact CE1-CZ 3.45Å; H58-R69 PolarHBondContact N-O 3.17Å; H58-R69 WeakPolarHBondContact O-CB 3.4Å; H58-R69 PolarHBondContact O-N 2.95Å; C60-R69 PolarHBondContact O-NH1 2.8Å; D62-R69 HydrophobicContact CB-CG 4.42Å; D62-R69 WeakPolarHBondContact OD1-CD 3.34Å; D62-R69 WeakPolarHBondContact OD2-CG 3.18Å; R69-L98 PolarHBondContact NH1-O 3.41Å; R69-A100 PolarHBondContact NH2-O 2.74Å; R69-R101 VanDerWaalsContact CZ-CZ 3.4Å; R69-R101 VanDerWaalsContact NH1-CZ 3.3Å; R69-E104 IonicContact CZ-OE1 2.8Å; R69-E104 IonicContact CZ-OE2 3.51Å; R69-E104 VanDerWaalsContact NE-CD 3.29Å; R69-E104 IonicContact NE-OE1 3.4Å; R69-E104 PolarHBondContact NE-OE1 3.42Å; R69-E104 IonicContact NE-OE2 3.27Å; R69-E104 PolarHBondContact NE-OE2 3.02Å; R69-E104 VanDerWaalsContact NE-OE2 3.16Å; R69-E104 VanDerWaalsContact NH2-CD 3.32Å; R69-E104 IonicContact NH2-OE1 3.57Å; R69-E104 PolarHBondContact NH2-OE1 3.2Å; R69-E104 VanDerWaalsContact NH2-OE1 3.16Å; R69-E104 IonicContact NH2-OE2 3.06Å; R69-E104 PolarHBondContact NH2-OE2 3.09Å
70	R	95.7	Very high	94.1	Very high	18 Å²	18	68.3 Å²	68.3	7%	0.068	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120	-179.7	-178.8	177.5	69.1	160.8	22.4	111.9	D20 I56 Y57 E104 D105 N107	D20-R70 IonicContact OD1-CZ 2.72Å; D20-R70 VanDerWaalsContact OD1-CZ 3.25Å; D20-R70 IonicContact OD1-NH1 3.2Å; D20-R70 PolarHBondContact OD1-NH1 3.1Å; D20-R70 IonicContact OD1-NH2 3.27Å; D20-R70 PolarHBondContact OD1-NH2 2.89Å; D20-R70 IonicContact OD2-NH2 3.78Å; I56-R70 VanDerWaalsContact O-CA 3.27Å; I56-R70 WeakPolarHBondContact O-CA 3.32Å; Y57-R70 HydrophobicContact CD1-CB 4.28Å; Y57-R70 HydrophobicContact CD1-CG 4.06Å; Y57-R70 HydrophobicContact CE1-CG 3.99Å; Y57-R70 HydrophobicContact CG-CG 4.39Å; R70-E104 WeakPolarHBondContact O-CA 3.39Å; R70-E104 WeakPolarHBondContact O-CB 3.21Å; R70-D105 WeakPolarHBondContact CB-OD1 2.88Å; R70-D105 IonicContact CZ-OD1 2.82Å; R70-D105 IonicContact CZ-OD2 2.95Å; R70-D105 PolarHBondContact N-O 3.29Å; R70-D105 IonicContact NE-OD1 2.75Å; R70-D105 PolarHBondContact NE-OD1 3.35Å; R70-D105 IonicContact NE-OD2 2.79Å; R70-D105 IonicContact NH2-OD1 2.7Å; R70-D105 PolarHBondContact NH2-OD1 3.35Å; R70-D105 IonicContact NH2-OD2 2.84Å; R70-D105 PolarHBondContact NH2-OD2 3.46Å; R70-D105 PolarHBondContact O-N 3.49Å; R70-N107 HydrophobicContact CB-CB 4.24Å; R70-N107 PolarHBondContact NH1-OD1 3.26Å; R70-N107 VanDerWaalsContact NH1-OD1 3.11Å
71	W	96.5	Very high	93.9	Very high	10 Å²	10	70.5 Å²	70.5	4%	0.038	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.2	167.5	-68	7.1	0	0	0	109.5	K55 I56 H58 I73 V96 L98 A100 I102 E104	K55-W71 CarbonylContact C-O 3.58Å; K55-W71 VanDerWaalsContact CA-O 3.23Å; K55-W71 WeakPolarHBondContact CA-O 3.36Å; I56-W71 HydrophobicContact CB-CB 4.28Å; I56-W71 HydrophobicContact CD1-CE3 4.37Å; I56-W71 PolarHBondContact N-O 2.56Å; I56-W71 PolarHBondContact O-N 3.12Å; H58-W71 AromaticContact NE2-CD1 3.63Å; H58-W71 AromaticContact NE2-CE2 3.84Å; H58-W71 AromaticContact NE2-NE1 3.4Å; H58-W71 PolarHBondContact NE2-NE1 2.95Å; W71-I73 HydrophobicContact CE3-CD1 4.34Å; W71-V96 HydrophobicContact CZ3-CB 4.21Å; W71-V96 HydrophobicContact CZ3-CG2 4.2Å; W71-L98 HydrophobicContact CD2-CD2 4.36Å; W71-L98 HydrophobicContact CE3-CD2 4.11Å; W71-L98 HydrophobicContact CH2-CD2 4Å; W71-L98 HydrophobicContact CZ2-CD2 4.22Å; W71-L98 HydrophobicContact CZ3-CD2 3.95Å; W71-A100 HydrophobicContact CH2-CB 3.94Å; W71-A100 HydrophobicContact CZ2-CB 3.96Å; W71-A100 WeakPolarHBondContact CZ2-O 3.39Å; W71-I102 HydrophobicContact CB-CD1 4.44Å; W71-I102 HydrophobicContact CD2-CD1 3.45Å; W71-I102 VanDerWaalsContact CD2-CD1 3.45Å; W71-I102 HydrophobicContact CD2-CG1 3.91Å; W71-I102 HydrophobicContact CE3-CD1 3.69Å; W71-I102 HydrophobicContact CG-CD1 3.8Å; W71-I102 HydrophobicContact CG-CG1 4.14Å; W71-I102 HydrophobicContact CH2-CD1 4.36Å; W71-I102 HydrophobicContact CZ2-CD1 4.17Å; W71-I102 HydrophobicContact CZ2-CG1 4.07Å; W71-I102 HydrophobicContact CZ3-CD1 4.13Å; W71-E104 PolarHBondContact NE1-OE2 3.11Å
72	S	95.5	Very high	93.6	Very high	57 Å²	57	74.9 Å²	74.9	40%	0.399	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.4	174.2	-66.8	0	0	0	0	109
73	I	95.9	Very high	93.1	Very high	32 Å²	32	79.8 Å²	79.8	16%	0.164	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.6	-173.8	-56.4	170.3	0	0	0	108.3	V53 L54 I56 W71 I75 F91 L93	V53-I73 CarbonylContact C-O 3.59Å; V53-I73 WeakPolarHBondContact CA-O 2.93Å; L54-I73 HydrophobicContact CB-CB 4.33Å; L54-I73 HydrophobicContact CD2-CD1 4.35Å; L54-I73 PolarHBondContact N-O 2.71Å; L54-I73 PolarHBondContact O-N 2.84Å; I56-I73 HydrophobicContact CD1-CD1 4.08Å; W71-I73 HydrophobicContact CE3-CD1 4.34Å; I73-I75 PolarHBondContact O-N 2.79Å; I73-F91 HydrophobicContact CG2-CE1 4.47Å; I73-L93 HydrophobicContact CD1-CD1 4.06Å; I73-L93 HydrophobicContact CD1-CD2 3.87Å
74	R	95.6	Very high	92.9	Very high	146 Å²	146	77.7 Å²	77.7	55%	0.551	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	122.4	175.5	-167.7	175.5	-176.8	102.5	-0.9	109.7	D51	D51-R74 VanDerWaalsContact CB-NH2 3.31Å; D51-R74 IonicContact OD2-CZ 3.82Å; D51-R74 VanDerWaalsContact OD2-CZ 3.27Å; D51-R74 IonicContact OD2-NH1 2.69Å; D51-R74 PolarHBondContact OD2-NH1 2.82Å; D51-R74 IonicContact OD2-NH2 3.35Å; D51-R74 PolarHBondContact OD2-NH2 2.76Å
75	I	96.6	Very high	93	Very high	19 Å²	19	67.9 Å²	67.9	10%	0.097	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-84.1	129.5	176.4	-62.9	176.5	0	0	0	108	L14 P52 L54 I73 D77 Y79 F91	L14-I75 HydrophobicContact CD1-CD1 3.62Å; P52-I75 HydrophobicContact CB-CB 4.17Å; P52-I75 HydrophobicContact CB-CD1 4.4Å; P52-I75 HydrophobicContact CG-CB 3.96Å; P52-I75 HydrophobicContact CG-CG2 4.24Å; P52-I75 PolarHBondContact O-N 3.36Å; L54-I75 HydrophobicContact CB-CD1 4.2Å; L54-I75 HydrophobicContact CB-CG1 4.4Å; I73-I75 PolarHBondContact O-N 2.79Å; I75-D77 PolarHBondContact O-N 3.11Å; I75-Y79 HydrophobicContact CG2-CD2 4.05Å; I75-Y79 HydrophobicContact CG2-CG 4.27Å; I75-F91 HydrophobicContact CD1-CD1 4.24Å; I75-F91 HydrophobicContact CG1-CD1 3.83Å; I75-F91 HydrophobicContact CG1-CE1 4.23Å; I75-F91 HydrophobicContact CG1-CG 4.48Å; I75-F91 HydrophobicContact CG2-CB 3.88Å; I75-F91 HydrophobicContact CG2-CD1 4.21Å; I75-F91 HydrophobicContact CG2-CG 4Å
76	P	96.3	Very high	92.9	Very high	57 Å²	57	67.3 Å²	67.3	37%	0.37	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.8	136.1	179.2	-26.3	35.1	0	0	0	113.2	K78 Y79	P76-K78 HydrophobicContact CB-CG 4.19Å; P76-K78 PolarHBondContact O-N 2.72Å; P76-Y79 HydrophobicContact CB-CD2 3.95Å; P76-Y79 HydrophobicContact CB-CE2 4.08Å; P76-Y79 HydrophobicContact CG-CD2 4.24Å; P76-Y79 HydrophobicContact CG-CE2 4.07Å; P76-Y79 VanDerWaalsContact O-CD2 3.27Å; P76-Y79 WeakPolarHBondContact O-CD2 3.37Å; P76-Y79 PolarHBondContact O-N 2.7Å
77	D	93.5	Very high	92.7	Very high	71 Å²	71	70.1 Å²	70.1	38%	0.38	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-39.9	-24.3	173.2	-90.7	48.2	0	0	0	118.4	K49 I75 Y79	K49-D77 WeakPolarHBondContact CD-OD2 3.16Å; K49-D77 VanDerWaalsContact CE-OD2 3.23Å; K49-D77 WeakPolarHBondContact CE-OD2 3.38Å; K49-D77 VanDerWaalsContact NZ-CG 3.28Å; K49-D77 PolarHBondContact NZ-O 2.73Å; K49-D77 VanDerWaalsContact NZ-O 3.09Å; K49-D77 IonicContact NZ-OD2 3.02Å; K49-D77 PolarHBondContact NZ-OD2 3.47Å; I75-D77 PolarHBondContact O-N 3.11Å; D77-Y79 VanDerWaalsContact C-N 3.27Å
78	K	94.6	Very high	92.5	Very high	132 Å²	132	71.8 Å²	71.8	57%	0.574	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-76.5	-12.5	179.8	68.5	-179.1	-178.9	178.9	0	113.6	P76 K89	P76-K78 HydrophobicContact CB-CG 4.19Å; P76-K78 PolarHBondContact O-N 2.72Å; K78-K89 VanDerWaalsContact O-CD 3.32Å; K78-K89 WeakPolarHBondContact O-CD 3.31Å
79	Y	95.8	Very high	92.4	Very high	60 Å²	60	75.2 Å²	75.2	24%	0.235	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-91.4	-11.7	177.8	-66.2	-77.7	0	0	0	112.7	I75 P76 D77 T81 K89 T90 F91	I75-Y79 HydrophobicContact CG2-CD2 4.05Å; I75-Y79 HydrophobicContact CG2-CG 4.27Å; P76-Y79 HydrophobicContact CB-CD2 3.95Å; P76-Y79 HydrophobicContact CB-CE2 4.08Å; P76-Y79 HydrophobicContact CG-CD2 4.24Å; P76-Y79 HydrophobicContact CG-CE2 4.07Å; P76-Y79 VanDerWaalsContact O-CD2 3.27Å; P76-Y79 WeakPolarHBondContact O-CD2 3.37Å; P76-Y79 PolarHBondContact O-N 2.7Å; D77-Y79 VanDerWaalsContact C-N 3.27Å; Y79-T81 PolarHBondContact O-N 2.82Å; Y79-K89 HydrophobicContact CD1-CB 3.94Å; Y79-T90 WeakPolarHBondContact CE1-O 3.3Å; Y79-F91 HydrophobicContact CD1-CB 3.79Å; Y79-F91 HydrophobicContact CD2-CB 3.92Å; Y79-F91 AromaticContact CD2-CD2 3.92Å; Y79-F91 HydrophobicContact CD2-CD2 3.92Å; Y79-F91 HydrophobicContact CD2-CG 4.26Å; Y79-F91 HydrophobicContact CE1-CB 4.03Å; Y79-F91 HydrophobicContact CE1-CD2 4.33Å; Y79-F91 HydrophobicContact CE2-CB 4.17Å; Y79-F91 AromaticContact CE2-CD2 3.45Å; Y79-F91 HydrophobicContact CE2-CD2 3.45Å; Y79-F91 VanDerWaalsContact CE2-CD2 3.45Å; Y79-F91 HydrophobicContact CE2-CE2 4.3Å; Y79-F91 HydrophobicContact CE2-CG 4.22Å; Y79-F91 HydrophobicContact CG-CB 3.74Å; Y79-F91 AromaticContact CZ-CD2 3.69Å
80	I	94.1	Very high	92.4	Very high	46 Å²	46	79.8 Å²	79.8	24%	0.236	44%	0.441	C	S	.	.			trans	-72.1	129.4	172.8	-60.4	156.8	0	0	0	108.9	K49 I50 P52	K49-I80 HydrophobicContact CD-CD1 4.4Å; K49-I80 HydrophobicContact CG-CD1 4.15Å; I50-I80 HydrophobicContact CD1-CD1 4.45Å; I50-I80 HydrophobicContact CD1-CG1 4.03Å; I50-I80 HydrophobicContact CD1-CG2 3.86Å; I50-I80 HydrophobicContact CG1-CB 4.5Å; I50-I80 HydrophobicContact CG1-CD1 3.72Å; I50-I80 HydrophobicContact CG1-CG1 3.85Å; I50-I80 HydrophobicContact CG1-CG2 3.82Å; I50-I80 WeakPolarHBondContact O-CD1 3.41Å; P52-I80 HydrophobicContact CG-CD1 4.08Å; P52-I80 HydrophobicContact CG-CG1 3.82Å
81	T	92.7	Very high	92.5	Very high	57 Å²	57	81.7 Å²	81.7	35%	0.35	45%	0.451	S	S	.	.			trans	-124.9	158.5	176.7	56.5	0	0	0	0	111.4	Y79	Y79-T81 PolarHBondContact O-N 2.82Å
82	K	88.8	Confident	92.5	Very high	177 Å²	177	87.4 Å²	87.4	77%	0.77	48%	0.482	S	S	*	.			trans	-63.4	146	174	-67.8	-174.9	178.4	-177	0	110.3	G84 S85	K82-G84 PolarHBondContact O-N 2.78Å; K82-S85 WeakPolarHBondContact O-CB 3.45Å; K82-S85 PolarHBondContact O-N 2.97Å; K82-S85 VanDerWaalsContact O-N 3.09Å
83	P	84.4	Confident	92.6	Very high	107 Å²	107	87 Å²	87	70%	0.695	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	135.3	171.7	-26.5	34.3	0	0	0	111.2	T43 S85	T43-P83 HydrophobicContact CG2-CG 4.27Å; P83-S85 VanDerWaalsContact C-N 3.29Å; P83-S85 PolarHBondContact O-N 2.81Å
84	G	84.3	Confident	92.7	Very high	86 Å²	86	87.7 Å²	87.7	89%	0.887	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	14.5	-179.7	0	0	0	0	0	115.4	K82 A86	K82-G84 PolarHBondContact O-N 2.78Å; G84-A86 PolarHBondContact O-N 3.41Å
85	S	88.4	Confident	92.8	Very high	54 Å²	54	86.9 Å²	86.9	38%	0.378	50%	0.501	S	S	.	.			trans	-56.5	130.7	171.5	-172.4	0	0	0	0	110.7	K82 P83 H87 P88	K82-S85 WeakPolarHBondContact O-CB 3.45Å; K82-S85 PolarHBondContact O-N 2.97Å; K82-S85 VanDerWaalsContact O-N 3.09Å; P83-S85 VanDerWaalsContact C-N 3.29Å; P83-S85 PolarHBondContact O-N 2.81Å; S85-H87 PolarHBondContact O-N 2.96Å; S85-H87 PolarHBondContact OG-N 2.8Å; S85-P88 WeakPolarHBondContact O-CD 3.23Å
86	A	87.3	Confident	92.8	Very high	85 Å²	85	88 Å²	88	70%	0.702	51%	0.508	S	S	*	.	S	Bend	trans	-67.7	-17.4	175.6	0	0	0	0	0	113.2	G84	G84-A86 PolarHBondContact O-N 3.41Å
87	H	86.6	Confident	92.9	Very high	160 Å²	160	87.9 Å²	87.9	74%	0.741	51%	0.505	S	S	*	.	S	Bend	trans	-135.7	68.1	-175.9	-55.7	-50.7	0	0	0	110.4	S85	S85-H87 PolarHBondContact O-N 2.96Å; S85-H87 PolarHBondContact OG-N 2.8Å
88	P	89.2	Confident	93.1	Very high	73 Å²	73	84.8 Å²	84.8	47%	0.474	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-60.9	142.1	173.2	27.7	-32.4	0	0	0	109.6	S85	S85-P88 WeakPolarHBondContact O-CD 3.23Å
89	K	92.9	Very high	93.2	Very high	132 Å²	132	82.7 Å²	82.7	57%	0.574	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-91.2	117	177.3	-73.2	179.5	-179.4	176.4	0	109.2	K78 Y79	K78-K89 VanDerWaalsContact O-CD 3.32Å; K78-K89 WeakPolarHBondContact O-CD 3.31Å; Y79-K89 HydrophobicContact CD1-CB 3.94Å
90	T	95.4	Very high	93.2	Very high	96 Å²	96	82 Å²	82	59%	0.589	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-80.9	126.6	175.6	-50.6	0	0	0	0	110.8	L39 Y79 D92	L39-T90 HydrophobicContact CD1-CG2 4.25Å; Y79-T90 WeakPolarHBondContact CE1-O 3.3Å; T90-D92 PolarHBondContact O-N 2.83Å
91	F	97.5	Very high	93	Very high	59 Å²	59	85.7 Å²	85.7	26%	0.259	50%	0.498	S	S	.	.			trans	-79.8	107.3	164.6	175.3	-114.1	0	0	0	108.8	I73 I75 Y79 L93	I73-F91 HydrophobicContact CG2-CE1 4.47Å; I75-F91 HydrophobicContact CD1-CD1 4.24Å; I75-F91 HydrophobicContact CG1-CD1 3.83Å; I75-F91 HydrophobicContact CG1-CE1 4.23Å; I75-F91 HydrophobicContact CG1-CG 4.48Å; I75-F91 HydrophobicContact CG2-CB 3.88Å; I75-F91 HydrophobicContact CG2-CD1 4.21Å; I75-F91 HydrophobicContact CG2-CG 4Å; Y79-F91 HydrophobicContact CD1-CB 3.79Å; Y79-F91 HydrophobicContact CD2-CB 3.92Å; Y79-F91 AromaticContact CD2-CD2 3.92Å; Y79-F91 HydrophobicContact CD2-CD2 3.92Å; Y79-F91 HydrophobicContact CD2-CG 4.26Å; Y79-F91 HydrophobicContact CE1-CB 4.03Å; Y79-F91 HydrophobicContact CE1-CD2 4.33Å; Y79-F91 HydrophobicContact CE2-CB 4.17Å; Y79-F91 AromaticContact CE2-CD2 3.45Å; Y79-F91 HydrophobicContact CE2-CD2 3.45Å; Y79-F91 VanDerWaalsContact CE2-CD2 3.45Å; Y79-F91 HydrophobicContact CE2-CE2 4.3Å; Y79-F91 HydrophobicContact CE2-CG 4.22Å; Y79-F91 HydrophobicContact CG-CB 3.74Å; Y79-F91 AromaticContact CZ-CD2 3.69Å; F91-L93 HydrophobicContact CE1-CB 4.35Å; F91-L93 HydrophobicContact CE1-CD1 4.24Å; F91-L93 HydrophobicContact CZ-CD1 4.36Å
92	D	97.6	Very high	93	Very high	129 Å²	129	87 Å²	87	69%	0.69	50%	0.502	S	S	*	.			trans	-89.1	111.1	175.8	-171.3	-4.9	0	0	0	109.9	T90 G94	T90-D92 PolarHBondContact O-N 2.83Å; D92-G94 WeakPolarHBondContact OD1-CA 3.41Å; D92-G94 PolarHBondContact OD1-N 2.97Å
93	L	97.2	Very high	93.1	Very high	49 Å²	49	88.3 Å²	88.3	26%	0.257	51%	0.507	S	S	.	.			trans	-74.5	-17.3	174.8	-176.1	62.5	0	0	0	111.9	F38 L54 I56 I73 F91 V96	F38-L93 HydrophobicContact CZ-CD2 4.3Å; L54-L93 HydrophobicContact CD2-CD2 3.9Å; I56-L93 HydrophobicContact CD1-CD2 4.16Å; I73-L93 HydrophobicContact CD1-CD1 4.06Å; I73-L93 HydrophobicContact CD1-CD2 3.87Å; F91-L93 HydrophobicContact CE1-CB 4.35Å; F91-L93 HydrophobicContact CE1-CD1 4.24Å; F91-L93 HydrophobicContact CZ-CD1 4.36Å; L93-V96 HydrophobicContact CD1-CG1 4.37Å; L93-V96 HydrophobicContact CD2-CG1 4.12Å; L93-V96 HydrophobicContact CD2-CG2 4.16Å; L93-V96 HydrophobicContact CG-CG1 3.9Å
94	G	97.7	Very high	93.5	Very high	46 Å²	46	86 Å²	86	47%	0.474	49%	0.487	S	S	.	.			trans	71.5	-153.7	-170.1	0	0	0	0	0	112.4	D92	D92-G94 WeakPolarHBondContact OD1-CA 3.41Å; D92-G94 PolarHBondContact OD1-N 2.97Å
95	V	97.6	Very high	93.9	Very high	130 Å²	130	85.1 Å²	85.1	79%	0.788	46%	0.462	S	S	*	.			trans	-98.2	118.3	177.8	-177.4	0	0	0	0	109.4	M1	M1-V95 HydrophobicContact CG-CG1 3.65Å
96	V	97.5	Very high	94.1	Very high	41 Å²	41	86.8 Å²	86.8	25%	0.248	46%	0.46	C	S	.	.			trans	-112.4	145.2	176.3	-62.5	0	0	0	0	111.5	M1 W71 L93	M1-V96 WeakPolarHBondContact CB-O 3.09Å; M1-V96 PolarHBondContact N-O 2.87Å; W71-V96 HydrophobicContact CZ3-CB 4.21Å; W71-V96 HydrophobicContact CZ3-CG2 4.2Å; L93-V96 HydrophobicContact CD1-CG1 4.37Å; L93-V96 HydrophobicContact CD2-CG1 4.12Å; L93-V96 HydrophobicContact CD2-CG2 4.16Å; L93-V96 HydrophobicContact CG-CG1 3.9Å
97	N	97.8	Very high	94.2	Very high	56 Å²	56	84.1 Å²	84.1	30%	0.299	43%	0.434	S	S	.	.			trans	-103.5	119.4	171.2	-172.7	-8.8	0	0	0	109.9	M1 G3 E99 A100	M1-N97 HydrophobicContact CB-CB 4.18Å; M1-N97 PolarHBondContact O-OD1 3.02Å; G3-N97 PolarHBondContact N-OD1 2.74Å; G3-N97 VanDerWaalsContact N-OD1 3.1Å; N97-E99 PolarHBondContact ND2-OE2 3.19Å; N97-E99 PolarHBondContact O-N 2.75Å; N97-E99 WeakPolarHBondContact OD1-CG 3.32Å; N97-E99 PolarHBondContact OD1-N 2.93Å; N97-E99 VanDerWaalsContact OD1-N 3.1Å; N97-E99 PolarHBondContact OD1-OE2 3.23Å; N97-A100 VanDerWaalsContact O-CB 3.3Å; N97-A100 WeakPolarHBondContact O-CB 3.27Å; N97-A100 PolarHBondContact O-N 2.95Å; N97-A100 VanDerWaalsContact O-N 3.1Å
98	L	97.8	Very high	94.3	Very high	6 Å²	6	80.8 Å²	80.8	3%	0.031	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.5	-175.4	-61.9	174.9	0	0	0	113.3	M1 A7 V10 I56 H58 C60 R69 W71 A100	M1-L98 WeakPolarHBondContact O-CB 3.43Å; M1-L98 WeakPolarHBondContact O-CG 3.45Å; M1-L98 PolarHBondContact O-N 2.98Å; A7-L98 HydrophobicContact CB-CD1 3.75Å; V10-L98 HydrophobicContact CG1-CD1 4.24Å; V10-L98 HydrophobicContact CG2-CD1 3.89Å; I56-L98 HydrophobicContact CG2-CD2 4.03Å; H58-L98 HydrophobicContact CB-CD1 3.85Å; H58-L98 PolarHBondContact CE1-O 3.06Å; C60-L98 HydrophobicContact CB-CB 3.68Å; R69-L98 PolarHBondContact NH1-O 3.41Å; W71-L98 HydrophobicContact CD2-CD2 4.36Å; W71-L98 HydrophobicContact CE3-CD2 4.11Å; W71-L98 HydrophobicContact CH2-CD2 4Å; W71-L98 HydrophobicContact CZ2-CD2 4.22Å; W71-L98 HydrophobicContact CZ3-CD2 3.95Å; L98-A100 PolarHBondContact O-N 3.42Å
99	E	96.7	Very high	93.4	Very high	88 Å²	88	86 Å²	86	41%	0.411	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.2	164.2	-69.5	178.7	129.9	0	0	112.1	G3 N97 R101	G3-E99 WeakPolarHBondContact CA-OE2 3.1Å; G3-E99 VanDerWaalsContact N-CD 3.35Å; G3-E99 PolarHBondContact N-OE2 3.3Å; N97-E99 PolarHBondContact ND2-OE2 3.19Å; N97-E99 PolarHBondContact O-N 2.75Å; N97-E99 WeakPolarHBondContact OD1-CG 3.32Å; N97-E99 PolarHBondContact OD1-N 2.93Å; N97-E99 VanDerWaalsContact OD1-N 3.1Å; N97-E99 PolarHBondContact OD1-OE2 3.23Å; E99-R101 PolarHBondContact O-N 3.21Å
100	A	95.8	Very high	93.4	Very high	44 Å²	44	83.8 Å²	83.8	36%	0.364	45%	0.452	S	S	.	.			trans	-57	138.3	179.3	0	0	0	0	0	111	R69 W71 N97 L98	R69-A100 PolarHBondContact NH2-O 2.74Å; W71-A100 HydrophobicContact CH2-CB 3.94Å; W71-A100 HydrophobicContact CZ2-CB 3.96Å; W71-A100 WeakPolarHBondContact CZ2-O 3.39Å; N97-A100 VanDerWaalsContact O-CB 3.3Å; N97-A100 WeakPolarHBondContact O-CB 3.27Å; N97-A100 PolarHBondContact O-N 2.95Å; N97-A100 VanDerWaalsContact O-N 3.1Å; L98-A100 PolarHBondContact O-N 3.42Å
101	R	90.7	Very high	93.3	Very high	125 Å²	125	83.1 Å²	83.1	47%	0.472	45%	0.445	S	S	.	.			trans	-104.2	87.1	175.6	-61.2	-67.4	175.2	171.3	2.5	108.5	D61 R69 E99 E104	D61-R101 PolarHBondContact O-NH2 3.11Å; D61-R101 IonicContact OD2-CZ 3.72Å; D61-R101 IonicContact OD2-NE 3.88Å; D61-R101 IonicContact OD2-NH2 2.73Å; D61-R101 PolarHBondContact OD2-NH2 2.75Å; R69-R101 VanDerWaalsContact CZ-CZ 3.4Å; R69-R101 VanDerWaalsContact NH1-CZ 3.3Å; E99-R101 PolarHBondContact O-N 3.21Å; R101-E104 IonicContact NH1-OE1 3.6Å
102	I	90.8	Very high	93	Very high	85 Å²	85	84.4 Å²	84.4	44%	0.436	46%	0.456	S	S	.	.			trans	-95.9	-176.7	171.7	64.3	172.5	0	0	0	109.9	W71 E104	W71-I102 HydrophobicContact CB-CD1 4.44Å; W71-I102 HydrophobicContact CD2-CD1 3.45Å; W71-I102 VanDerWaalsContact CD2-CD1 3.45Å; W71-I102 HydrophobicContact CD2-CG1 3.91Å; W71-I102 HydrophobicContact CE3-CD1 3.69Å; W71-I102 HydrophobicContact CG-CD1 3.8Å; W71-I102 HydrophobicContact CG-CG1 4.14Å; W71-I102 HydrophobicContact CH2-CD1 4.36Å; W71-I102 HydrophobicContact CZ2-CD1 4.17Å; W71-I102 HydrophobicContact CZ2-CG1 4.07Å; W71-I102 HydrophobicContact CZ3-CD1 4.13Å; I102-E104 PolarHBondContact O-N 2.93Å
103	K	90.9	Very high	92.8	Very high	204 Å²	204	81.8 Å²	81.8	89%	0.887	44%	0.442	S	S	*	.	S	Bend	trans	-62.1	113.2	168.8	-174.1	179.4	179.8	-177.1	0	108.7
104	E	92.9	Very high	92.5	Very high	57 Å²	57	83.9 Å²	83.9	27%	0.266	45%	0.453	S	S	.	.			trans	-139.7	159.8	-179	66.5	-172.9	-160.8	0	0	109.9	R69 R70 W71 R101 I102	R69-E104 IonicContact CZ-OE1 2.8Å; R69-E104 IonicContact CZ-OE2 3.51Å; R69-E104 VanDerWaalsContact NE-CD 3.29Å; R69-E104 IonicContact NE-OE1 3.4Å; R69-E104 PolarHBondContact NE-OE1 3.42Å; R69-E104 IonicContact NE-OE2 3.27Å; R69-E104 PolarHBondContact NE-OE2 3.02Å; R69-E104 VanDerWaalsContact NE-OE2 3.16Å; R69-E104 VanDerWaalsContact NH2-CD 3.32Å; R69-E104 IonicContact NH2-OE1 3.57Å; R69-E104 PolarHBondContact NH2-OE1 3.2Å; R69-E104 VanDerWaalsContact NH2-OE1 3.16Å; R69-E104 IonicContact NH2-OE2 3.06Å; R69-E104 PolarHBondContact NH2-OE2 3.09Å; R70-E104 WeakPolarHBondContact O-CA 3.39Å; R70-E104 WeakPolarHBondContact O-CB 3.21Å; W71-E104 PolarHBondContact NE1-OE2 3.11Å; R101-E104 IonicContact NH1-OE1 3.6Å; I102-E104 PolarHBondContact O-N 2.93Å
105	D	93.3	Very high	92.2	Very high	68 Å²	68	86.4 Å²	86.4	36%	0.364	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-174.8	168.1	65.1	36.1	0	0	0	110	R70	R70-D105 WeakPolarHBondContact CB-OD1 2.88Å; R70-D105 IonicContact CZ-OD1 2.82Å; R70-D105 IonicContact CZ-OD2 2.95Å; R70-D105 PolarHBondContact N-O 3.29Å; R70-D105 IonicContact NE-OD1 2.75Å; R70-D105 PolarHBondContact NE-OD1 3.35Å; R70-D105 IonicContact NE-OD2 2.79Å; R70-D105 IonicContact NH2-OD1 2.7Å; R70-D105 PolarHBondContact NH2-OD1 3.35Å; R70-D105 IonicContact NH2-OD2 2.84Å; R70-D105 PolarHBondContact NH2-OD2 3.46Å; R70-D105 PolarHBondContact O-N 3.49Å
106	R	93.2	Very high	91.8	Very high	89 Å²	89	83.3 Å²	83.3	34%	0.336	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.7	176.2	-56.4	-164	83.3	-131.1	-3.1	110.3	D62 K65 P66 C67 Q68	D62-R106 IonicContact OD1-CZ 3.36Å; D62-R106 IonicContact OD1-NE 3.25Å; D62-R106 IonicContact OD1-NH2 2.76Å; D62-R106 PolarHBondContact OD1-NH2 2.86Å; D62-R106 IonicContact OD2-CZ 3.53Å; D62-R106 IonicContact OD2-NE 3.16Å; D62-R106 IonicContact OD2-NH2 3.33Å; D62-R106 PolarHBondContact OD2-NH2 3.43Å; K65-R106 VanDerWaalsContact CB-NH1 3.33Å; K65-R106 PolarHBondContact O-NH2 3.09Å; P66-R106 PolarHBondContact O-NH1 2.86Å; P66-R106 PolarHBondContact O-NH2 2.93Å; C67-R106 HydrophobicContact CB-CB 4.37Å; C67-R106 PolarHBondContact O-NH2 3.39Å; Q68-R106 CarbonylContact O-C 3.52Å; Q68-R106 VanDerWaalsContact O-CA 3.29Å; Q68-R106 WeakPolarHBondContact O-CA 3.3Å
107	N	89.9	Confident	91.3	Very high	29 Å²	29	86.5 Å²	86.5	16%	0.155	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.5	-175	-176.4	89	0	0	0	110.8	Y57 C67 Q68 R70 V109	Y57-N107 HydrophobicContact CD1-CB 3.84Å; Y57-N107 HydrophobicContact CE1-CB 3.81Å; Y57-N107 VanDerWaalsContact CE1-CG 3.45Å; C67-N107 VanDerWaalsContact CB-O 3.3Å; C67-N107 WeakPolarHBondContact CB-O 3.39Å; Q68-N107 PolarHBondContact N-O 3.43Å; Q68-N107 PolarHBondContact O-N 3.48Å; R70-N107 HydrophobicContact CB-CB 4.24Å; R70-N107 PolarHBondContact NH1-OD1 3.26Å; R70-N107 VanDerWaalsContact NH1-OD1 3.11Å; N107-V109 PolarHBondContact ND2-O 3.33Å
108	C	87.9	Confident	90.8	Very high	91 Å²	91	89.1 Å²	89.1	62%	0.615	45%	0.454	S	S	*	.			trans	-100.1	6.3	-174.1	-58.4	0	0	0	0	114.4	C67	C67-C108 HydrophobicContact CB-CB 3.8Å; C67-C108 WeakPolarHBondContact CB-SG 3.49Å; C67-C108 WeakPolarHBondContact SG-CA 3.34Å; C67-C108 WeakPolarHBondContact SG-CB 3.37Å; C67-C108 CovalentContact SG-SG 2.01Å; C67-C108 PolarHBondContact SG-SG 3.38Å
109	V	69.5	Low	90.1	Very high	183 Å²	183	96.6 Å²	96.6	100%	1.109	49%	0.492	S	S	*	.			trans	-129.2	0	-165.5	-147.5	0	0	0	0	111	N107	N107-V109 PolarHBondContact ND2-O 3.33Å

Retrieved 109 of 109 residues in 83.4 ms (Link to these results)

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