A0A3Q0KSH0_SCHMA Loading...

Putative chaperone binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KSH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 112 aa.

						>A0A3Q0KSH0_SCHMA|A0A3Q0KSH0
MPSPGGRYAWFQSDGNICINYFRKNMALTDVRVEIERRKVSLYLTIPTGDELLKKFQLLHEVVPEDSSYRVTATKIEIKLKKADKVCWSHLESQDCVTGSGIRKLKLVRVQL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	38.6	Very low	69.9	Low	224 Å²	224	100.1 Å²	100.1	100%	1.103	55%	0.545	S	S	*	.				0	113.5	0	-63.1	-68.1	-163	0	0	108.1	S3	M1-S3 PolarHBondContact O-N 3.25Å
2	P	43.9	Very low	72.1	Confident	115 Å²	115	96.8 Å²	96.8	75%	0.747	52%	0.523	S	S	*	.			trans	-66.1	117.2	167.2	25.8	-28	0	0	0	108.5
3	S	42.6	Very low	73.8	Confident	68 Å²	68	94 Å²	94	48%	0.476	52%	0.516	S	S	.	.			trans	-64.8	144.7	-178.8	-53	0	0	0	0	111	M1 G5	M1-S3 PolarHBondContact O-N 3.25Å; S3-G5 PolarHBondContact O-N 2.8Å
4	P	49.4	Very low	75	Confident	149 Å²	149	95.4 Å²	95.4	97%	0.968	52%	0.523	S	S	*	.	S	Bend	trans	-69.8	26.9	-171.1	25.7	-33.9	0	0	0	116.5
5	G	57.3	Low	76.4	Confident	26 Å²	26	90.1 Å²	90.1	27%	0.268	50%	0.499	S	S	.	.	S	Bend	trans	-149.2	85.4	178.6	0	0	0	0	0	111.1	S3	S3-G5 PolarHBondContact O-N 2.8Å
6	G	69	Low	77.6	Confident	33 Å²	33	86.4 Å²	86.4	34%	0.34	48%	0.478	S	S	.	.			trans	63.5	142.1	178.1	0	0	0	0	0	115	Y8 Y21	G6-Y8 PolarHBondContact O-N 2.81Å; G6-Y21 WeakPolarHBondContact CA-OH 3.36Å
7	R	88.4	Confident	78.8	Confident	196 Å²	196	81.4 Å²	81.4	74%	0.74	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.9	170.5	-69.2	-175.8	71.2	178.3	1.6	108	F22	R7-F22 HydrophobicContact CB-CB 4.31Å; R7-F22 HydrophobicContact CB-CD2 4.4Å; R7-F22 WeakPolarHBondContact O-CB 3.41Å; R7-F22 WeakPolarHBondContact O-CD2 3.43Å; R7-F22 PolarHBondContact O-N 3.4Å
8	Y	93.6	Very high	79.8	Confident	60 Å²	60	78.1 Å²	78.1	24%	0.235	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.1	168.3	67.9	-80.8	0	0	0	110.6	G6 N20 F56 L91 E92	G6-Y8 PolarHBondContact O-N 2.81Å; Y8-N20 CarbonylContact C-O 3.52Å; Y8-N20 WeakPolarHBondContact CA-O 3.2Å; Y8-N20 WeakPolarHBondContact CB-O 3.3Å; Y8-F56 HydrophobicContact CD1-CE1 4.04Å; Y8-F56 HydrophobicContact CD1-CZ 4.33Å; Y8-F56 AromaticContact CD2-CE1 3.61Å; Y8-F56 HydrophobicContact CD2-CE1 3.61Å; Y8-F56 HydrophobicContact CD2-CZ 4.09Å; Y8-F56 HydrophobicContact CE1-CE1 4.03Å; Y8-F56 HydrophobicContact CE2-CD1 4.31Å; Y8-F56 AromaticContact CE2-CE1 3.57Å; Y8-F56 HydrophobicContact CE2-CE1 3.57Å; Y8-F56 HydrophobicContact CE2-CZ 4.48Å; Y8-F56 AromaticContact CG-CE1 3.84Å; Y8-F56 HydrophobicContact CG-CE1 3.84Å; Y8-F56 AromaticContact CG-CZ 4Å; Y8-F56 HydrophobicContact CG-CZ 4Å; Y8-F56 AromaticContact CZ-CE1 3.79Å; Y8-L91 HydrophobicContact CD2-CD2 4.33Å; Y8-L91 HydrophobicContact CE2-CD2 3.9Å; Y8-E92 PolarHBondContact OH-OE2 2.7Å
9	A	94	Very high	80.7	Confident	42 Å²	42	74 Å²	74	35%	0.347	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.4	166.6	0	0	0	0	0	108	N20 F22	A9-N20 PolarHBondContact N-O 3.27Å; A9-N20 PolarHBondContact O-N 3.19Å; A9-F22 HydrophobicContact CB-CE2 3.75Å; A9-F22 HydrophobicContact CB-CZ 4.29Å
10	W	96.3	Very high	81.4	Confident	80 Å²	80	71.2 Å²	71.2	30%	0.303	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.5	174.6	70.1	-80.1	0	0	0	109.8	I17 C18 I19 W88 L91	W10-I17 HydrophobicContact CE3-CG2 4.35Å; W10-I17 HydrophobicContact CZ3-CD1 4.44Å; W10-C18 CarbonylContact C-O 3.16Å; W10-C18 WeakPolarHBondContact CA-O 3.5Å; W10-C18 WeakPolarHBondContact CB-O 3.28Å; W10-I19 HydrophobicContact CB-CG1 4.37Å; W10-W88 HydrophobicContact CH2-CB 4.49Å; W10-W88 HydrophobicContact CZ3-CB 4.35Å; W10-L91 HydrophobicContact CB-CD1 4.42Å; W10-L91 HydrophobicContact CB-CD2 4.12Å; W10-L91 HydrophobicContact CD2-CB 3.85Å; W10-L91 HydrophobicContact CD2-CD1 4.31Å; W10-L91 HydrophobicContact CE3-CB 4.44Å; W10-L91 HydrophobicContact CE3-CD1 4.35Å; W10-L91 HydrophobicContact CG-CB 3.96Å; W10-L91 HydrophobicContact CG-CD1 4.33Å; W10-L91 HydrophobicContact CG-CD2 4.05Å; W10-L91 HydrophobicContact CG-CG 4.35Å; W10-L91 HydrophobicContact CZ2-CB 4.44Å
11	F	95.9	Very high	82	Confident	108 Å²	108	68.1 Å²	68.1	47%	0.474	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.5	176.5	57.3	-83.6	0	0	0	109	C18	F11-C18 HydrophobicContact CD1-CB 4.02Å; F11-C18 HydrophobicContact CD2-CB 3.88Å; F11-C18 HydrophobicContact CE1-CB 3.55Å; F11-C18 HydrophobicContact CE2-CB 3.41Å; F11-C18 VanDerWaalsContact CE2-CB 3.41Å; F11-C18 HydrophobicContact CG-CB 4.17Å; F11-C18 HydrophobicContact CZ-CB 3.23Å; F11-C18 PolarHBondContact N-O 3Å; F11-C18 PolarHBondContact O-N 3.43Å
12	Q	96.4	Very high	84.6	Confident	60 Å²	60	61.8 Å²	61.8	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.8	-178	69.3	-174.9	-55.6	0	0	112.8	N16 I17 W88	Q12-N16 CarbonylContact C-O 3.54Å; Q12-N16 WeakPolarHBondContact CA-O 2.87Å; Q12-I17 HydrophobicContact CB-CD1 3.41Å; Q12-I17 VanDerWaalsContact CB-CD1 3.41Å; Q12-I17 HydrophobicContact CG-CD1 4.46Å; Q12-W88 PolarHBondContact NE2-O 3.39Å
13	S	93.9	Very high	86.7	Confident	61 Å²	61	60.7 Å²	60.7	43%	0.427	33%	0.325	S	S	.	.			trans	-115.9	-178.9	162.7	57.5	0	0	0	0	108.9	G15 N16 K82	S13-G15 VanDerWaalsContact C-N 3.28Å; S13-G15 PolarHBondContact O-N 3.36Å; S13-N16 PolarHBondContact N-O 3.49Å; S13-N16 WeakPolarHBondContact OG-CB 3.46Å; S13-N16 PolarHBondContact OG-N 3.03Å; S13-N16 PolarHBondContact OG-O 3.02Å; S13-K82 PolarHBondContact O-NZ 2.86Å
14	D	91.1	Very high	88.8	Confident	114 Å²	114	65.4 Å²	65.4	61%	0.61	34%	0.337	S	S	*	.	S	Bend	trans	-49.5	-49.2	177.5	-173.8	-105.9	0	0	0	112	K82	D14-K82 WeakPolarHBondContact O-CD 3.4Å; D14-K82 PolarHBondContact O-NZ 3.45Å
15	G	95	Very high	90.4	Very high	16 Å²	16	65.9 Å²	65.9	17%	0.165	33%	0.331	C	S	.	.	S	Bend	trans	-109.1	-0.6	-174.8	0	0	0	0	0	116.7	S13 K82	S13-G15 VanDerWaalsContact C-N 3.28Å; S13-G15 PolarHBondContact O-N 3.36Å; G15-K82 PolarHBondContact O-N 3.27Å
16	N	96.6	Very high	91.6	Very high	31 Å²	31	65.4 Å²	65.4	17%	0.166	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.9	-175.2	-53.8	-89.7	0	0	0	113	Q12 S13 K79 L80	Q12-N16 CarbonylContact C-O 3.54Å; Q12-N16 WeakPolarHBondContact CA-O 2.87Å; S13-N16 PolarHBondContact N-O 3.49Å; S13-N16 WeakPolarHBondContact OG-CB 3.46Å; S13-N16 PolarHBondContact OG-N 3.03Å; S13-N16 PolarHBondContact OG-O 3.02Å; N16-K79 HydrophobicContact CB-CG 4.45Å; N16-L80 CarbonylContact C-O 3.48Å; N16-L80 WeakPolarHBondContact CA-O 3.1Å; N16-L80 WeakPolarHBondContact CB-O 3.34Å
17	I	96.9	Very high	92.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.8	163.5	-58.4	-59.9	0	0	0	108.1	W10 Q12 I19 L80 K82 W88 L91	W10-I17 HydrophobicContact CE3-CG2 4.35Å; W10-I17 HydrophobicContact CZ3-CD1 4.44Å; Q12-I17 HydrophobicContact CB-CD1 3.41Å; Q12-I17 VanDerWaalsContact CB-CD1 3.41Å; Q12-I17 HydrophobicContact CG-CD1 4.46Å; I17-I19 HydrophobicContact CG2-CG1 4.23Å; I17-L80 HydrophobicContact CB-CB 4.26Å; I17-L80 HydrophobicContact CB-CD1 4.48Å; I17-L80 HydrophobicContact CG2-CD1 4.48Å; I17-L80 PolarHBondContact N-O 2.8Å; I17-L80 PolarHBondContact O-N 3.12Å; I17-K82 HydrophobicContact CG1-CG 4.1Å; I17-W88 HydrophobicContact CD1-CB 4.2Å; I17-W88 HydrophobicContact CD1-CD2 3.77Å; I17-W88 HydrophobicContact CD1-CE3 4.14Å; I17-W88 HydrophobicContact CD1-CG 3.82Å; I17-W88 HydrophobicContact CG1-CD2 3.87Å; I17-W88 HydrophobicContact CG1-CE3 4.03Å; I17-W88 HydrophobicContact CG1-CG 4.41Å; I17-W88 HydrophobicContact CG1-CH2 4.19Å; I17-W88 HydrophobicContact CG1-CZ2 4.06Å; I17-W88 HydrophobicContact CG1-CZ3 4.19Å; I17-L91 HydrophobicContact CG2-CD1 3.71Å
18	C	97	Very high	92.1	Very high	23 Å²	23	61.9 Å²	61.9	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.6	173	-66.2	0	0	0	0	109.5	W10 F11 I78	W10-C18 CarbonylContact C-O 3.16Å; W10-C18 WeakPolarHBondContact CA-O 3.5Å; W10-C18 WeakPolarHBondContact CB-O 3.28Å; F11-C18 HydrophobicContact CD1-CB 4.02Å; F11-C18 HydrophobicContact CD2-CB 3.88Å; F11-C18 HydrophobicContact CE1-CB 3.55Å; F11-C18 HydrophobicContact CE2-CB 3.41Å; F11-C18 VanDerWaalsContact CE2-CB 3.41Å; F11-C18 HydrophobicContact CG-CB 4.17Å; F11-C18 HydrophobicContact CZ-CB 3.23Å; F11-C18 PolarHBondContact N-O 3Å; F11-C18 PolarHBondContact O-N 3.43Å; C18-I78 CarbonylContact C-O 3.46Å; C18-I78 VanDerWaalsContact CA-O 3.28Å; C18-I78 WeakPolarHBondContact CA-O 3.44Å
19	I	97	Very high	91.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.7	176.3	-52.4	169.4	0	0	0	108.2	W10 I17 F56 E77 I78 L80 L91	W10-I19 HydrophobicContact CB-CG1 4.37Å; I17-I19 HydrophobicContact CG2-CG1 4.23Å; I19-F56 HydrophobicContact CD1-CD2 4.27Å; I19-F56 HydrophobicContact CD1-CG 4.41Å; I19-F56 HydrophobicContact CG2-CE1 4.38Å; I19-F56 HydrophobicContact CG2-CE2 4.04Å; I19-F56 HydrophobicContact CG2-CZ 3.83Å; I19-E77 WeakPolarHBondContact O-CA 3.45Å; I19-I78 HydrophobicContact CB-CB 4.24Å; I19-I78 HydrophobicContact CB-CD1 4.35Å; I19-I78 PolarHBondContact N-O 2.88Å; I19-I78 PolarHBondContact O-N 3.39Å; I19-L80 HydrophobicContact CD1-CD1 3.83Å; I19-L91 HydrophobicContact CD1-CD1 3.96Å; I19-L91 HydrophobicContact CD1-CD2 3.98Å; I19-L91 HydrophobicContact CG1-CD1 4.01Å; I19-L91 HydrophobicContact CG1-CD2 4.06Å
20	N	95.6	Very high	91.6	Very high	17 Å²	17	64.9 Å²	64.9	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.1	173	-69.3	-11.3	0	0	0	108.8	Y8 A9 F22 K75 I76 E77	Y8-N20 CarbonylContact C-O 3.52Å; Y8-N20 WeakPolarHBondContact CA-O 3.2Å; Y8-N20 WeakPolarHBondContact CB-O 3.3Å; A9-N20 PolarHBondContact N-O 3.27Å; A9-N20 PolarHBondContact O-N 3.19Å; N20-F22 HydrophobicContact CB-CE2 4.12Å; N20-F22 HydrophobicContact CB-CZ 4Å; N20-K75 HydrophobicContact CB-CD 4.29Å; N20-I76 WeakPolarHBondContact CA-O 3.39Å; N20-E77 WeakPolarHBondContact OD1-CG 3.14Å
21	Y	94.4	Very high	91.4	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.027	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.7	173	-173.2	-96	0	0	0	109.6	G6 R23 L42 L53 K54 F56 K75 I76	G6-Y21 WeakPolarHBondContact CA-OH 3.36Å; Y21-R23 HydrophobicContact CD1-CB 4.28Å; Y21-R23 HydrophobicContact CE1-CB 4.02Å; Y21-R23 PolarHBondContact O-N 3.27Å; Y21-L42 HydrophobicContact CD1-CD1 4.04Å; Y21-L42 HydrophobicContact CD2-CD1 3.77Å; Y21-L42 HydrophobicContact CE2-CD1 4.44Å; Y21-L42 HydrophobicContact CG-CD1 3.54Å; Y21-L53 HydrophobicContact CE1-CD1 4.24Å; Y21-K54 HydrophobicContact CD2-CB 4.32Å; Y21-K54 HydrophobicContact CD2-CG 4.46Å; Y21-K54 HydrophobicContact CE2-CB 3.75Å; Y21-K54 HydrophobicContact CE2-CG 4.13Å; Y21-F56 HydrophobicContact CD2-CZ 4.49Å; Y21-K75 CarbonylContact O-C 3.48Å; Y21-K75 WeakPolarHBondContact O-CA 3.32Å; Y21-K75 WeakPolarHBondContact O-CB 3.49Å; Y21-I76 HydrophobicContact CD1-CD1 4.09Å; Y21-I76 PolarHBondContact N-O 2.8Å; Y21-I76 PolarHBondContact O-N 2.88Å
22	F	92.1	Very high	91.3	Very high	91 Å²	91	61.5 Å²	61.5	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.1	-173.1	-61.8	-84.2	0	0	0	110.9	R7 A9 N20 K75	R7-F22 HydrophobicContact CB-CB 4.31Å; R7-F22 HydrophobicContact CB-CD2 4.4Å; R7-F22 WeakPolarHBondContact O-CB 3.41Å; R7-F22 WeakPolarHBondContact O-CD2 3.43Å; R7-F22 PolarHBondContact O-N 3.4Å; A9-F22 HydrophobicContact CB-CE2 3.75Å; A9-F22 HydrophobicContact CB-CZ 4.29Å; N20-F22 HydrophobicContact CB-CE2 4.12Å; N20-F22 HydrophobicContact CB-CZ 4Å; F22-K75 HydrophobicContact CD1-CB 4.07Å; F22-K75 HydrophobicContact CE1-CD 4.19Å
23	R	88.2	Confident	91.3	Very high	93 Å²	93	59.4 Å²	59.4	35%	0.351	31%	0.31	S	S	.	.			trans	-152.5	134.6	170.2	173.4	169	-173.3	156.1	-0.9	108.5	Y21 M26 T74	Y21-R23 HydrophobicContact CD1-CB 4.28Å; Y21-R23 HydrophobicContact CE1-CB 4.02Å; Y21-R23 PolarHBondContact O-N 3.27Å; R23-M26 HydrophobicContact CB-CE 3.33Å; R23-M26 HydrophobicContact CB-SD 4.07Å; R23-M26 VanDerWaalsContact CD-SD 3.58Å; R23-M26 HydrophobicContact CG-CE 3.55Å; R23-M26 HydrophobicContact CG-CG 4.15Å; R23-M26 HydrophobicContact CG-SD 3.63Å; R23-M26 WeakPolarHBondContact O-CE 3.33Å; R23-T74 CarbonylContact C-O 3.54Å; R23-T74 PolarHBondContact N-O 3.02Å; R23-T74 CarbonylContact O-C 3.51Å; R23-T74 VanDerWaalsContact O-O 3.1Å
24	K	86.6	Confident	91.4	Very high	166 Å²	166	59.1 Å²	59.1	72%	0.722	30%	0.302	S	S	*	.	S	Bend	trans	-88	159.9	-175.6	-64.4	-177.5	178.9	-178.2	0	110.4	M26	K24-M26 PolarHBondContact O-N 2.96Å
25	N	83	Confident	91.8	Very high	159 Å²	159	55.3 Å²	55.3	85%	0.85	28%	0.281	S	S	*	.	S	Bend	trans	59.2	46	169.4	-159.6	45.8	0	0	0	113.6	A73	N25-A73 PolarHBondContact N-O 2.92Å
26	M	82.5	Confident	91.9	Very high	17 Å²	17	58.5 Å²	58.5	8%	0.084	29%	0.292	C	S	.	.			trans	-112.3	130.6	172.4	-68.3	-173.2	-66.7	0	0	109.4	R23 K24 V31 L44 V71 I76	R23-M26 HydrophobicContact CB-CE 3.33Å; R23-M26 HydrophobicContact CB-SD 4.07Å; R23-M26 VanDerWaalsContact CD-SD 3.58Å; R23-M26 HydrophobicContact CG-CE 3.55Å; R23-M26 HydrophobicContact CG-CG 4.15Å; R23-M26 HydrophobicContact CG-SD 3.63Å; R23-M26 WeakPolarHBondContact O-CE 3.33Å; K24-M26 PolarHBondContact O-N 2.96Å; M26-V31 HydrophobicContact CB-CG2 3.99Å; M26-V31 HydrophobicContact CG-CG2 4.4Å; M26-V31 HydrophobicContact SD-CG2 3.85Å; M26-L44 HydrophobicContact SD-CD1 4.42Å; M26-V71 HydrophobicContact CB-CG1 4.31Å; M26-I76 HydrophobicContact CE-CD1 3.48Å; M26-I76 VanDerWaalsContact CE-CD1 3.48Å; M26-I76 HydrophobicContact CE-CG1 3.58Å; M26-I76 HydrophobicContact SD-CD1 4.03Å
27	A	83.3	Confident	91.9	Very high	45 Å²	45	65.2 Å²	65.2	37%	0.372	32%	0.315	S	S	.	.			trans	-84.1	161.6	165.1	0	0	0	0	0	110.1	T29 D30	A27-T29 WeakPolarHBondContact CB-OG1 3.44Å; A27-T29 PolarHBondContact O-N 2.77Å; A27-D30 WeakPolarHBondContact CB-OD2 3.36Å; A27-D30 PolarHBondContact N-OD2 2.83Å; A27-D30 PolarHBondContact O-N 2.86Å; A27-D30 VanDerWaalsContact O-N 3.12Å
28	L	85.3	Confident	91.9	Very high	110 Å²	110	70.8 Å²	70.8	58%	0.576	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.1	-32.6	175.1	-175.6	65.7	0	0	0	111.8	D30 V31 Y69 V71	L28-D30 PolarHBondContact O-N 2.85Å; L28-V31 PolarHBondContact O-N 2.77Å; L28-Y69 HydrophobicContact CD1-CE2 4.09Å; L28-V71 HydrophobicContact CD1-CB 4.07Å; L28-V71 HydrophobicContact CD1-CG2 3.62Å
29	T	88.1	Confident	91.8	Very high	109 Å²	109	71.9 Å²	71.9	67%	0.669	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-66	-25.9	177.5	48.5	0	0	0	0	113.4	A27 V31	A27-T29 WeakPolarHBondContact CB-OG1 3.44Å; A27-T29 PolarHBondContact O-N 2.77Å; T29-V31 VanDerWaalsContact C-N 3.31Å
30	D	89.4	Confident	91.8	Very high	56 Å²	56	71.9 Å²	71.9	30%	0.299	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-89	-4.3	-174.8	-47	-26.1	0	0	0	111.3	A27 L28 L44 T45	A27-D30 WeakPolarHBondContact CB-OD2 3.36Å; A27-D30 PolarHBondContact N-OD2 2.83Å; A27-D30 PolarHBondContact O-N 2.86Å; A27-D30 VanDerWaalsContact O-N 3.12Å; L28-D30 PolarHBondContact O-N 2.85Å; D30-L44 HydrophobicContact CB-CD1 4.22Å; D30-L44 CarbonylContact O-C 3.51Å; D30-L44 VanDerWaalsContact O-CA 3.28Å; D30-L44 WeakPolarHBondContact O-CA 3.46Å; D30-L44 WeakPolarHBondContact O-CD1 3.42Å; D30-T45 PolarHBondContact O-N 2.8Å
31	V	92.2	Very high	91.9	Very high	5 Å²	5	71 Å²	71	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	-172.5	179.2	0	0	0	0	109.9	M26 L28 T29 V33 V71 I76	M26-V31 HydrophobicContact CB-CG2 3.99Å; M26-V31 HydrophobicContact CG-CG2 4.4Å; M26-V31 HydrophobicContact SD-CG2 3.85Å; L28-V31 PolarHBondContact O-N 2.77Å; T29-V31 VanDerWaalsContact C-N 3.31Å; V31-V33 HydrophobicContact CG1-CG2 3.93Å; V31-V71 HydrophobicContact CB-CG2 3.96Å; V31-V71 HydrophobicContact CG1-CG2 4.13Å; V31-V71 HydrophobicContact CG2-CG1 4.49Å; V31-V71 HydrophobicContact CG2-CG2 4.16Å; V31-I76 HydrophobicContact CB-CD1 4.39Å; V31-I76 HydrophobicContact CG1-CD1 3.53Å; V31-I76 HydrophobicContact CG1-CG1 4.07Å; V31-I76 HydrophobicContact CG1-CG2 4.34Å; V31-I76 HydrophobicContact CG2-CD1 3.87Å; V31-I76 HydrophobicContact CG2-CG1 4.27Å
32	R	93.8	Very high	91.9	Very high	112 Å²	112	70.7 Å²	70.7	42%	0.423	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.7	167.9	175.5	-176.8	174.9	176.8	2.6	109.3	E34 Y43 D50	R32-E34 HydrophobicContact CG-CG 4.5Å; R32-E34 IonicContact CZ-OE1 2.77Å; R32-E34 IonicContact NE-OE1 3.56Å; R32-E34 PolarHBondContact NE-OE1 3.14Å; R32-E34 IonicContact NH2-OE1 3.93Å; R32-E34 PolarHBondContact NH2-OE1 3.48Å; R32-Y43 HydrophobicContact CG-CD2 4.33Å; R32-Y43 PolarHBondContact N-O 3.45Å; R32-Y43 VanDerWaalsContact N-O 3.08Å; R32-Y43 PolarHBondContact O-N 2.77Å; R32-D50 WeakPolarHBondContact CD-OD2 3.43Å; R32-D50 IonicContact CZ-OD2 3.1Å; R32-D50 IonicContact NE-OD2 3.39Å; R32-D50 IonicContact NH1-OD2 2.86Å; R32-D50 PolarHBondContact NH1-OD2 3.39Å
33	V	95.5	Very high	91.9	Very high	16 Å²	16	68.4 Å²	68.4	10%	0.097	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.4	176	-173.5	0	0	0	0	108.5	V31 I35 V40 S41 L42 Y69 I76 I78	V31-V33 HydrophobicContact CG1-CG2 3.93Å; V33-I35 HydrophobicContact CG1-CD1 4.43Å; V33-I35 HydrophobicContact CG1-CG1 3.99Å; V33-V40 HydrophobicContact CG1-CG1 4.09Å; V33-S41 WeakPolarHBondContact CA-O 3.39Å; V33-L42 HydrophobicContact CB-CD2 4.18Å; V33-L42 HydrophobicContact CG1-CD2 3.93Å; V33-L42 HydrophobicContact CG2-CD2 3.48Å; V33-L42 VanDerWaalsContact CG2-CD2 3.48Å; V33-Y69 HydrophobicContact CB-CD1 3.68Å; V33-Y69 HydrophobicContact CB-CD2 4.14Å; V33-Y69 HydrophobicContact CB-CE1 3.9Å; V33-Y69 HydrophobicContact CB-CE2 4.34Å; V33-Y69 HydrophobicContact CB-CG 3.81Å; V33-Y69 HydrophobicContact CG1-CD1 4.27Å; V33-Y69 HydrophobicContact CG1-CG 4.35Å; V33-Y69 HydrophobicContact CG2-CD1 3.97Å; V33-Y69 HydrophobicContact CG2-CD2 3.47Å; V33-Y69 VanDerWaalsContact CG2-CD2 3.47Å; V33-Y69 HydrophobicContact CG2-CE1 4.25Å; V33-Y69 HydrophobicContact CG2-CE2 3.78Å; V33-Y69 HydrophobicContact CG2-CG 3.57Å; V33-I76 HydrophobicContact CG2-CG2 4.28Å; V33-I78 HydrophobicContact CG1-CD1 4.26Å; V33-I78 HydrophobicContact CG1-CG1 4.44Å; V33-I78 HydrophobicContact CG1-CG2 4.39Å
34	E	96.9	Very high	92.1	Very high	55 Å²	55	65.2 Å²	65.2	26%	0.257	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.7	171.9	-63.9	-176.1	150.3	0	0	109.2	R32 V40 S41 Y43	R32-E34 HydrophobicContact CG-CG 4.5Å; R32-E34 IonicContact CZ-OE1 2.77Å; R32-E34 IonicContact NE-OE1 3.56Å; R32-E34 PolarHBondContact NE-OE1 3.14Å; R32-E34 IonicContact NH2-OE1 3.93Å; R32-E34 PolarHBondContact NH2-OE1 3.48Å; E34-V40 CarbonylContact O-C 3.6Å; E34-V40 WeakPolarHBondContact O-CA 3.02Å; E34-S41 PolarHBondContact N-O 3Å; E34-S41 PolarHBondContact O-N 2.94Å; E34-Y43 HydrophobicContact CB-CE2 4.19Å; E34-Y43 HydrophobicContact CG-CD2 4.39Å; E34-Y43 HydrophobicContact CG-CE2 3.75Å; E34-Y43 WeakPolarHBondContact OE2-CE2 3.16Å; E34-Y43 PolarHBondContact OE2-OH 2.8Å
35	I	98	Very high	92.3	Very high	34 Å²	34	59.8 Å²	59.8	17%	0.174	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122	179.2	-54.1	175.3	0	0	0	107.4	V33 V40 V62 P64 I78 L80	V33-I35 HydrophobicContact CG1-CD1 4.43Å; V33-I35 HydrophobicContact CG1-CG1 3.99Å; I35-V40 HydrophobicContact CG2-CG2 4.41Å; I35-V62 HydrophobicContact CG2-CG2 4.13Å; I35-P64 HydrophobicContact CB-CB 4.43Å; I35-P64 HydrophobicContact CG2-CB 4.04Å; I35-P64 WeakPolarHBondContact O-CB 3.32Å; I35-I78 HydrophobicContact CD1-CG2 4.11Å; I35-L80 HydrophobicContact CD1-CD2 3.94Å; I35-L80 HydrophobicContact CG1-CD2 4.27Å; I35-L80 HydrophobicContact CG2-CD2 3.72Å
36	E	97.5	Very high	92.5	Very high	82 Å²	82	55 Å²	55	38%	0.383	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	167.6	172.8	-67.6	169.3	-121.2	0	0	108.9	R38 K39 V62	E36-R38 PolarHBondContact O-N 2.98Å; E36-R38 VanDerWaalsContact O-N 3.07Å; E36-K39 HydrophobicContact CB-CB 4.18Å; E36-K39 VanDerWaalsContact CD-CE 3.47Å; E36-K39 PolarHBondContact N-O 3.46Å; E36-K39 PolarHBondContact O-N 2.97Å; E36-K39 VanDerWaalsContact O-O 3.09Å; E36-K39 WeakPolarHBondContact OE1-CE 3.44Å; E36-K39 IonicContact OE1-NZ 2.67Å; E36-K39 PolarHBondContact OE1-NZ 2.85Å; E36-K39 IonicContact OE2-NZ 2.69Å; E36-K39 PolarHBondContact OE2-NZ 3.17Å; E36-V62 WeakPolarHBondContact O-CG2 3.12Å
37	R	96.8	Very high	92.7	Very high	172 Å²	172	61.1 Å²	61.1	65%	0.649	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-40.5	-174	-61	-170.1	-163.8	-150.8	1.5	113.6	E61 V62 P64	R37-E61 HydrophobicContact CB-CG 4.15Å; R37-E61 CarbonylContact O-C 3.32Å; R37-E61 WeakPolarHBondContact O-CA 3.18Å; R37-V62 WeakPolarHBondContact O-CG2 3.49Å; R37-V62 PolarHBondContact O-N 2.69Å; R37-P64 HydrophobicContact CG-CG 4.32Å
38	R	96.1	Very high	92.9	Very high	118 Å²	118	65.2 Å²	65.2	45%	0.445	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	20	179.6	-65.8	-171.9	177.3	-113.2	-6.4	113.7	E36 Q57 L58 L59 E61	E36-R38 PolarHBondContact O-N 2.98Å; E36-R38 VanDerWaalsContact O-N 3.07Å; R38-Q57 PolarHBondContact O-NE2 2.84Å; R38-L58 PolarHBondContact O-N 2.67Å; R38-L59 PolarHBondContact NH1-O 3.35Å; R38-E61 HydrophobicContact CG-CG 3.41Å; R38-E61 VanDerWaalsContact CG-CG 3.41Å; R38-E61 IonicContact CZ-OE2 2.74Å; R38-E61 VanDerWaalsContact NE-CG 3.34Å; R38-E61 IonicContact NE-OE2 2.84Å; R38-E61 PolarHBondContact NE-OE2 3.43Å; R38-E61 IonicContact NH2-OE2 3.35Å; R38-E61 PolarHBondContact NH2-OE2 2.99Å
39	K	96.6	Very high	92.9	Very high	45 Å²	45	61.8 Å²	61.8	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	139.5	-172.8	-163.1	177.4	74.3	-145.2	0	111.2	E36 K55 F56	E36-K39 HydrophobicContact CB-CB 4.18Å; E36-K39 VanDerWaalsContact CD-CE 3.47Å; E36-K39 PolarHBondContact N-O 3.46Å; E36-K39 PolarHBondContact O-N 2.97Å; E36-K39 VanDerWaalsContact O-O 3.09Å; E36-K39 WeakPolarHBondContact OE1-CE 3.44Å; E36-K39 IonicContact OE1-NZ 2.67Å; E36-K39 PolarHBondContact OE1-NZ 2.85Å; E36-K39 IonicContact OE2-NZ 2.69Å; E36-K39 PolarHBondContact OE2-NZ 3.17Å; K39-K55 HydrophobicContact CD-CD 4.12Å; K39-K55 HydrophobicContact CD-CG 4.31Å; K39-K55 HydrophobicContact CG-CD 4.47Å; K39-K55 HydrophobicContact CG-CG 4.13Å; K39-F56 WeakPolarHBondContact CA-O 3.49Å
40	V	97	Very high	93	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127	167.7	178.5	0	0	0	0	108.5	V33 E34 I35 K55 F56 L58 I78 L80	V33-V40 HydrophobicContact CG1-CG1 4.09Å; E34-V40 CarbonylContact O-C 3.6Å; E34-V40 WeakPolarHBondContact O-CA 3.02Å; I35-V40 HydrophobicContact CG2-CG2 4.41Å; V40-K55 CarbonylContact O-C 3.59Å; V40-K55 WeakPolarHBondContact O-CA 3.45Å; V40-F56 HydrophobicContact CB-CB 4.31Å; V40-F56 HydrophobicContact CB-CD2 4.15Å; V40-F56 HydrophobicContact CG1-CD2 4.26Å; V40-F56 PolarHBondContact N-O 2.81Å; V40-F56 PolarHBondContact O-N 2.82Å; V40-L58 HydrophobicContact CG2-CD1 4.09Å; V40-L58 HydrophobicContact CG2-CD2 4.2Å; V40-L58 HydrophobicContact CG2-CG 4.41Å; V40-I78 HydrophobicContact CG1-CD1 3.76Å; V40-I78 HydrophobicContact CG1-CG2 4.42Å; V40-L80 HydrophobicContact CG2-CD1 3.83Å; V40-L80 HydrophobicContact CG2-CD2 3.82Å; V40-L80 HydrophobicContact CG2-CG 4.46Å
41	S	95.8	Very high	93.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.5	175.3	-55.4	0	0	0	0	109.4	V33 E34	V33-S41 WeakPolarHBondContact CA-O 3.39Å; E34-S41 PolarHBondContact N-O 3Å; E34-S41 PolarHBondContact O-N 2.94Å
42	L	94.3	Very high	93.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.6	172.3	-71	178.4	0	0	0	108.9	Y21 V33 L53 K54 F56 I76 I78	Y21-L42 HydrophobicContact CD1-CD1 4.04Å; Y21-L42 HydrophobicContact CD2-CD1 3.77Å; Y21-L42 HydrophobicContact CE2-CD1 4.44Å; Y21-L42 HydrophobicContact CG-CD1 3.54Å; V33-L42 HydrophobicContact CB-CD2 4.18Å; V33-L42 HydrophobicContact CG1-CD2 3.93Å; V33-L42 HydrophobicContact CG2-CD2 3.48Å; V33-L42 VanDerWaalsContact CG2-CD2 3.48Å; L42-L53 HydrophobicContact CB-CB 4.32Å; L42-L53 WeakPolarHBondContact O-CB 3.47Å; L42-L53 PolarHBondContact O-N 2.78Å; L42-K54 HydrophobicContact CB-CB 4.43Å; L42-K54 HydrophobicContact CD1-CB 4.38Å; L42-K54 PolarHBondContact N-O 2.83Å; L42-K54 PolarHBondContact O-N 2.96Å; L42-F56 HydrophobicContact CD1-CE2 3.92Å; L42-F56 HydrophobicContact CG-CE2 4.42Å; L42-I76 HydrophobicContact CD2-CD1 4.46Å; L42-I76 HydrophobicContact CD2-CG2 4.29Å; L42-I78 HydrophobicContact CD1-CD1 4.07Å; L42-I78 HydrophobicContact CD2-CD1 3.59Å; L42-I78 HydrophobicContact CD2-CG1 4.37Å; L42-I78 HydrophobicContact CG-CD1 3.99Å
43	Y	93.5	Very high	92.9	Very high	43 Å²	43	61 Å²	61	17%	0.169	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.2	175.7	-52.9	-96.6	0	0	0	111	R32 E34 D50 E51 L52	R32-Y43 HydrophobicContact CG-CD2 4.33Å; R32-Y43 PolarHBondContact N-O 3.45Å; R32-Y43 VanDerWaalsContact N-O 3.08Å; R32-Y43 PolarHBondContact O-N 2.77Å; E34-Y43 HydrophobicContact CB-CE2 4.19Å; E34-Y43 HydrophobicContact CG-CD2 4.39Å; E34-Y43 HydrophobicContact CG-CE2 3.75Å; E34-Y43 WeakPolarHBondContact OE2-CE2 3.16Å; E34-Y43 PolarHBondContact OE2-OH 2.8Å; Y43-D50 HydrophobicContact CD1-CB 4.16Å; Y43-D50 HydrophobicContact CG-CB 4.38Å; Y43-E51 CarbonylContact C-O 3.49Å; Y43-E51 WeakPolarHBondContact CA-O 3.14Å; Y43-L52 HydrophobicContact CD1-CB 4.03Å; Y43-L52 HydrophobicContact CD1-CD1 3.9Å; Y43-L52 HydrophobicContact CE1-CB 4.06Å; Y43-L52 HydrophobicContact CE1-CD1 3.55Å; Y43-L52 HydrophobicContact CE1-CG 4.4Å; Y43-L52 HydrophobicContact CE2-CD1 4.47Å; Y43-L52 HydrophobicContact CG-CD1 4.49Å
44	L	91.2	Very high	92.8	Very high	25 Å²	25	62 Å²	62	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.1	164.7	-173.9	74	0	0	0	107.7	M26 D30 I46 E51 L53	M26-L44 HydrophobicContact SD-CD1 4.42Å; D30-L44 HydrophobicContact CB-CD1 4.22Å; D30-L44 CarbonylContact O-C 3.51Å; D30-L44 VanDerWaalsContact O-CA 3.28Å; D30-L44 WeakPolarHBondContact O-CA 3.46Å; D30-L44 WeakPolarHBondContact O-CD1 3.42Å; L44-I46 HydrophobicContact CD2-CG2 3.79Å; L44-I46 HydrophobicContact CG-CG2 3.91Å; L44-I46 PolarHBondContact O-N 3.08Å; L44-E51 HydrophobicContact CB-CB 4.44Å; L44-E51 PolarHBondContact N-O 3.12Å; L44-E51 PolarHBondContact O-N 3.38Å; L44-L53 HydrophobicContact CB-CD1 3.92Å; L44-L53 HydrophobicContact CB-CD2 3.73Å; L44-L53 HydrophobicContact CB-CG 3.76Å; L44-L53 HydrophobicContact CD2-CD2 4.49Å
45	T	91	Very high	92.7	Very high	52 Å²	52	63.8 Å²	63.8	32%	0.319	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	110.5	173.9	-45.9	0	0	0	0	108.1	D30 D50	D30-T45 PolarHBondContact O-N 2.8Å; T45-D50 WeakPolarHBondContact CA-OD1 3.5Å
46	I	87.2	Confident	92.5	Very high	59 Å²	59	62.2 Å²	62.2	30%	0.303	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	159.4	172.5	58.9	172.5	0	0	0	109.8	L44 T48 G49	L44-I46 HydrophobicContact CD2-CG2 3.79Å; L44-I46 HydrophobicContact CG-CG2 3.91Å; L44-I46 PolarHBondContact O-N 3.08Å; I46-T48 VanDerWaalsContact CD1-OG1 3.3Å; I46-T48 WeakPolarHBondContact CD1-OG1 3.39Å; I46-T48 PolarHBondContact O-N 2.84Å; I46-G49 WeakPolarHBondContact CG1-O 3.48Å; I46-G49 PolarHBondContact N-O 3.4Å; I46-G49 CarbonylContact O-C 3.55Å; I46-G49 PolarHBondContact O-N 2.78Å; I46-G49 VanDerWaalsContact O-O 3.05Å
47	P	86.9	Confident	92.4	Very high	146 Å²	146	61.3 Å²	61.3	95%	0.948	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.4	-175.8	-28	36	0	0	0	114.8
48	T	87.6	Confident	92.4	Very high	131 Å²	131	53.3 Å²	53.3	80%	0.804	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.1	179.4	53.6	0	0	0	0	114	I46	I46-T48 VanDerWaalsContact CD1-OG1 3.3Å; I46-T48 WeakPolarHBondContact CD1-OG1 3.39Å; I46-T48 PolarHBondContact O-N 2.84Å
49	G	86.1	Confident	92.3	Very high	37 Å²	37	49.3 Å²	49.3	38%	0.381	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130	177.3	-176.3	0	0	0	0	0	112.9	I46	I46-G49 WeakPolarHBondContact CG1-O 3.48Å; I46-G49 PolarHBondContact N-O 3.4Å; I46-G49 CarbonylContact O-C 3.55Å; I46-G49 PolarHBondContact O-N 2.78Å; I46-G49 VanDerWaalsContact O-O 3.05Å
50	D	90.4	Very high	92.3	Very high	66 Å²	66	49.7 Å²	49.7	35%	0.353	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.9	-179.2	-68	-17.4	0	0	0	111.4	R32 Y43 T45	R32-D50 WeakPolarHBondContact CD-OD2 3.43Å; R32-D50 IonicContact CZ-OD2 3.1Å; R32-D50 IonicContact NE-OD2 3.39Å; R32-D50 IonicContact NH1-OD2 2.86Å; R32-D50 PolarHBondContact NH1-OD2 3.39Å; Y43-D50 HydrophobicContact CD1-CB 4.16Å; Y43-D50 HydrophobicContact CG-CB 4.38Å; T45-D50 WeakPolarHBondContact CA-OD1 3.5Å
51	E	90.9	Very high	92.3	Very high	99 Å²	99	52.5 Å²	52.5	46%	0.463	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.8	171.8	-178.2	-177.8	85.9	0	0	110.2	Y43 L44 L53	Y43-E51 CarbonylContact C-O 3.49Å; Y43-E51 WeakPolarHBondContact CA-O 3.14Å; L44-E51 HydrophobicContact CB-CB 4.44Å; L44-E51 PolarHBondContact N-O 3.12Å; L44-E51 PolarHBondContact O-N 3.38Å; E51-L53 PolarHBondContact O-N 3.3Å; E51-L53 VanDerWaalsContact O-N 3.12Å
52	L	92	Very high	92.3	Very high	79 Å²	79	52.6 Å²	52.6	41%	0.414	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	109.1	175.5	-178.9	72.5	0	0	0	110.5	Y43 K55	Y43-L52 HydrophobicContact CD1-CB 4.03Å; Y43-L52 HydrophobicContact CD1-CD1 3.9Å; Y43-L52 HydrophobicContact CE1-CB 4.06Å; Y43-L52 HydrophobicContact CE1-CD1 3.55Å; Y43-L52 HydrophobicContact CE1-CG 4.4Å; Y43-L52 HydrophobicContact CE2-CD1 4.47Å; Y43-L52 HydrophobicContact CG-CD1 4.49Å; L52-K55 HydrophobicContact CD2-CB 4.38Å
53	L	90.2	Very high	92.5	Very high	21 Å²	21	54.7 Å²	54.7	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-48.4	177.5	-67	-174	0	0	0	112.5	Y21 L42 L44 E51	Y21-L53 HydrophobicContact CE1-CD1 4.24Å; L42-L53 HydrophobicContact CB-CB 4.32Å; L42-L53 WeakPolarHBondContact O-CB 3.47Å; L42-L53 PolarHBondContact O-N 2.78Å; L44-L53 HydrophobicContact CB-CD1 3.92Å; L44-L53 HydrophobicContact CB-CD2 3.73Å; L44-L53 HydrophobicContact CB-CG 3.76Å; L44-L53 HydrophobicContact CD2-CD2 4.49Å; E51-L53 PolarHBondContact O-N 3.3Å; E51-L53 VanDerWaalsContact O-N 3.12Å
54	K	92.6	Very high	92.7	Very high	37 Å²	37	54.5 Å²	54.5	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	136.9	-175.6	-178.3	61.6	175.1	158	0	109.8	Y21 L42 F56 E92	Y21-K54 HydrophobicContact CD2-CB 4.32Å; Y21-K54 HydrophobicContact CD2-CG 4.46Å; Y21-K54 HydrophobicContact CE2-CB 3.75Å; Y21-K54 HydrophobicContact CE2-CG 4.13Å; L42-K54 HydrophobicContact CB-CB 4.43Å; L42-K54 HydrophobicContact CD1-CB 4.38Å; L42-K54 PolarHBondContact N-O 2.83Å; L42-K54 PolarHBondContact O-N 2.96Å; K54-F56 HydrophobicContact CB-CE2 4.4Å; K54-F56 HydrophobicContact CB-CZ 4.48Å; K54-F56 HydrophobicContact CD-CE1 4.29Å; K54-F56 HydrophobicContact CD-CZ 4.34Å; K54-F56 HydrophobicContact CG-CD1 4.39Å; K54-F56 HydrophobicContact CG-CD2 4.22Å; K54-F56 HydrophobicContact CG-CE1 3.81Å; K54-F56 HydrophobicContact CG-CE2 3.63Å; K54-F56 HydrophobicContact CG-CZ 3.41Å; K54-F56 VanDerWaalsContact CG-CZ 3.41Å; K54-E92 IonicContact NZ-OE1 3.39Å; K54-E92 IonicContact NZ-OE2 2.63Å; K54-E92 PolarHBondContact NZ-OE2 3.06Å
55	K	94.2	Very high	93	Very high	94 Å²	94	61.8 Å²	61.8	41%	0.409	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.1	169.8	-175	177.3	-71.6	175.8	0	108.3	K39 V40 L52	K39-K55 HydrophobicContact CD-CD 4.12Å; K39-K55 HydrophobicContact CD-CG 4.31Å; K39-K55 HydrophobicContact CG-CD 4.47Å; K39-K55 HydrophobicContact CG-CG 4.13Å; V40-K55 CarbonylContact O-C 3.59Å; V40-K55 WeakPolarHBondContact O-CA 3.45Å; L52-K55 HydrophobicContact CD2-CB 4.38Å
56	F	94.5	Very high	93.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.7	171.7	-58	-79.5	0	0	0	108.5	Y8 I19 Y21 K39 V40 L42 K54 L58 L91 E92	Y8-F56 HydrophobicContact CD1-CE1 4.04Å; Y8-F56 HydrophobicContact CD1-CZ 4.33Å; Y8-F56 AromaticContact CD2-CE1 3.61Å; Y8-F56 HydrophobicContact CD2-CE1 3.61Å; Y8-F56 HydrophobicContact CD2-CZ 4.09Å; Y8-F56 HydrophobicContact CE1-CE1 4.03Å; Y8-F56 HydrophobicContact CE2-CD1 4.31Å; Y8-F56 AromaticContact CE2-CE1 3.57Å; Y8-F56 HydrophobicContact CE2-CE1 3.57Å; Y8-F56 HydrophobicContact CE2-CZ 4.48Å; Y8-F56 AromaticContact CG-CE1 3.84Å; Y8-F56 HydrophobicContact CG-CE1 3.84Å; Y8-F56 AromaticContact CG-CZ 4Å; Y8-F56 HydrophobicContact CG-CZ 4Å; Y8-F56 AromaticContact CZ-CE1 3.79Å; I19-F56 HydrophobicContact CD1-CD2 4.27Å; I19-F56 HydrophobicContact CD1-CG 4.41Å; I19-F56 HydrophobicContact CG2-CE1 4.38Å; I19-F56 HydrophobicContact CG2-CE2 4.04Å; I19-F56 HydrophobicContact CG2-CZ 3.83Å; Y21-F56 HydrophobicContact CD2-CZ 4.49Å; K39-F56 WeakPolarHBondContact CA-O 3.49Å; V40-F56 HydrophobicContact CB-CB 4.31Å; V40-F56 HydrophobicContact CB-CD2 4.15Å; V40-F56 HydrophobicContact CG1-CD2 4.26Å; V40-F56 PolarHBondContact N-O 2.81Å; V40-F56 PolarHBondContact O-N 2.82Å; L42-F56 HydrophobicContact CD1-CE2 3.92Å; L42-F56 HydrophobicContact CG-CE2 4.42Å; K54-F56 HydrophobicContact CB-CE2 4.4Å; K54-F56 HydrophobicContact CB-CZ 4.48Å; K54-F56 HydrophobicContact CD-CE1 4.29Å; K54-F56 HydrophobicContact CD-CZ 4.34Å; K54-F56 HydrophobicContact CG-CD1 4.39Å; K54-F56 HydrophobicContact CG-CD2 4.22Å; K54-F56 HydrophobicContact CG-CE1 3.81Å; K54-F56 HydrophobicContact CG-CE2 3.63Å; K54-F56 HydrophobicContact CG-CZ 3.41Å; K54-F56 VanDerWaalsContact CG-CZ 3.41Å; F56-L58 HydrophobicContact CB-CD2 4.22Å; F56-L91 HydrophobicContact CD1-CD2 3.69Å; F56-L91 HydrophobicContact CE1-CD2 4.01Å; F56-L91 HydrophobicContact CG-CD2 4.38Å; F56-E92 WeakPolarHBondContact CA-OE1 3.27Å; F56-E92 HydrophobicContact CB-CG 4.32Å; F56-E92 HydrophobicContact CD1-CG 4.11Å
57	Q	95.1	Very high	93.8	Very high	64 Å²	64	62.6 Å²	62.6	30%	0.299	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	98.4	173.2	-153.7	60.8	64.6	0	0	108.2	R38 E92 S93	R38-Q57 PolarHBondContact O-NE2 2.84Å; Q57-E92 PolarHBondContact N-OE1 2.96Å; Q57-E92 CarbonylContact O-C 3.51Å; Q57-E92 WeakPolarHBondContact O-CA 3.42Å; Q57-E92 WeakPolarHBondContact O-CB 3.31Å; Q57-S93 WeakPolarHBondContact CG-OG 3.4Å; Q57-S93 PolarHBondContact O-N 2.88Å; Q57-S93 PolarHBondContact O-OG 2.93Å
58	L	96	Very high	94.3	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-68.3	143	-165.9	-57.8	177.5	0	0	0	112.7	R38 V40 F56 V62 L80 W88 L91	R38-L58 PolarHBondContact O-N 2.67Å; V40-L58 HydrophobicContact CG2-CD1 4.09Å; V40-L58 HydrophobicContact CG2-CD2 4.2Å; V40-L58 HydrophobicContact CG2-CG 4.41Å; F56-L58 HydrophobicContact CB-CD2 4.22Å; L58-V62 HydrophobicContact CD1-CB 4.4Å; L58-V62 HydrophobicContact CD1-CG1 3.76Å; L58-V62 HydrophobicContact CD1-CG2 3.73Å; L58-L80 HydrophobicContact CD1-CD1 4.02Å; L58-L80 HydrophobicContact CD2-CD1 3.98Å; L58-W88 HydrophobicContact CB-CH2 3.75Å; L58-W88 HydrophobicContact CB-CZ3 3.9Å; L58-W88 HydrophobicContact CD1-CH2 4.19Å; L58-W88 HydrophobicContact CD2-CH2 4.24Å; L58-W88 HydrophobicContact CD2-CZ3 4.04Å; L58-W88 HydrophobicContact CG-CH2 4.28Å; L58-W88 HydrophobicContact CG-CZ3 4.44Å; L58-L91 HydrophobicContact CD2-CD1 4.27Å
59	L	95.2	Very high	94.7	Very high	35 Å²	35	57 Å²	57	18%	0.183	30%	0.296	C	S	.	.	S	Bend	trans	-63	-45.1	178.1	-178.7	61.1	0	0	0	112.8	R38 W88 H90 L91	R38-L59 PolarHBondContact NH1-O 3.35Å; L59-W88 HydrophobicContact CB-CD2 4.48Å; L59-W88 HydrophobicContact CB-CE3 4.05Å; L59-W88 HydrophobicContact CB-CZ3 4.37Å; L59-H90 WeakPolarHBondContact CD1-NE2 3.43Å; L59-H90 WeakPolarHBondContact CD2-O 3.49Å; L59-L91 PolarHBondContact N-O 2.74Å
60	H	95.4	Very high	95.1	Very high	52 Å²	52	62.6 Å²	62.6	24%	0.241	31%	0.305	C	S	.	.	S	Bend	trans	-125.8	173	177.4	-59.3	-87.1	0	0	0	111.6	W88	H60-W88 HydrophobicContact CB-CH2 4.46Å; H60-W88 HydrophobicContact CB-CZ2 3.62Å; H60-W88 AromaticContact CD2-CD1 3.57Å; H60-W88 AromaticContact CD2-CE2 3.93Å; H60-W88 AromaticContact CD2-CG 3.9Å; H60-W88 AromaticContact CD2-NE1 3.59Å; H60-W88 AromaticContact CG-NE1 3.89Å; H60-W88 VanDerWaalsContact O-CH2 3.24Å; H60-W88 WeakPolarHBondContact O-CH2 3.48Å; H60-W88 WeakPolarHBondContact O-CZ2 2.85Å
61	E	97.2	Very high	95.2	Very high	59 Å²	59	61 Å²	61	28%	0.276	30%	0.298	S	S	.	.			trans	-73.8	145.6	179.3	-77.3	171.6	98	0	0	113	R37 R38 A83	R37-E61 HydrophobicContact CB-CG 4.15Å; R37-E61 CarbonylContact O-C 3.32Å; R37-E61 WeakPolarHBondContact O-CA 3.18Å; R38-E61 HydrophobicContact CG-CG 3.41Å; R38-E61 VanDerWaalsContact CG-CG 3.41Å; R38-E61 IonicContact CZ-OE2 2.74Å; R38-E61 VanDerWaalsContact NE-CG 3.34Å; R38-E61 IonicContact NE-OE2 2.84Å; R38-E61 PolarHBondContact NE-OE2 3.43Å; R38-E61 IonicContact NH2-OE2 3.35Å; R38-E61 PolarHBondContact NH2-OE2 2.99Å; E61-A83 HydrophobicContact CB-CB 3.78Å; E61-A83 WeakPolarHBondContact O-CB 3.32Å; E61-A83 PolarHBondContact O-N 3.48Å
62	V	97.7	Very high	95.3	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.1	170.6	-58.9	0	0	0	0	109.1	I35 E36 R37 L58 P64 L80 K81 W88	I35-V62 HydrophobicContact CG2-CG2 4.13Å; E36-V62 WeakPolarHBondContact O-CG2 3.12Å; R37-V62 WeakPolarHBondContact O-CG2 3.49Å; R37-V62 PolarHBondContact O-N 2.69Å; L58-V62 HydrophobicContact CD1-CB 4.4Å; L58-V62 HydrophobicContact CD1-CG1 3.76Å; L58-V62 HydrophobicContact CD1-CG2 3.73Å; V62-P64 VanDerWaalsContact O-CD 3.27Å; V62-P64 WeakPolarHBondContact O-CD 3.46Å; V62-L80 HydrophobicContact CB-CB 4.2Å; V62-L80 HydrophobicContact CG1-CB 3.79Å; V62-L80 HydrophobicContact CG1-CD1 4.2Å; V62-K81 CarbonylContact C-O 3.43Å; V62-K81 WeakPolarHBondContact CA-O 3.33Å; V62-K81 WeakPolarHBondContact CB-O 3.35Å; V62-W88 HydrophobicContact CG1-CH2 3.9Å; V62-W88 HydrophobicContact CG1-CZ2 3.99Å
63	V	97.8	Very high	95.1	Very high	43 Å²	43	58.3 Å²	58.3	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	100.9	173.1	-175.2	0	0	0	0	107.2	E65 D66 S67 K81 A83	V63-E65 VanDerWaalsContact C-N 3.26Å; V63-E65 PolarHBondContact O-N 2.64Å; V63-D66 HydrophobicContact CB-CB 4.21Å; V63-D66 HydrophobicContact CG1-CB 3.98Å; V63-D66 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-N 2.84Å; V63-S67 PolarHBondContact O-OG 3.26Å; V63-K81 HydrophobicContact CB-CB 4.19Å; V63-K81 HydrophobicContact CB-CG 4.07Å; V63-K81 HydrophobicContact CG2-CG 4.2Å; V63-K81 PolarHBondContact N-O 3.32Å; V63-A83 HydrophobicContact CG2-CB 4.34Å
64	P	97.6	Very high	95.1	Very high	39 Å²	39	60.9 Å²	60.9	25%	0.253	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-35.1	-173.1	-24.8	37.7	0	0	0	113.1	I35 R37 V62 D66 S67	I35-P64 HydrophobicContact CB-CB 4.43Å; I35-P64 HydrophobicContact CG2-CB 4.04Å; I35-P64 WeakPolarHBondContact O-CB 3.32Å; R37-P64 HydrophobicContact CG-CG 4.32Å; V62-P64 VanDerWaalsContact O-CD 3.27Å; V62-P64 WeakPolarHBondContact O-CD 3.46Å; P64-D66 VanDerWaalsContact C-N 3.29Å; P64-D66 PolarHBondContact O-N 2.63Å; P64-S67 WeakPolarHBondContact O-CB 3.28Å; P64-S67 PolarHBondContact O-N 2.79Å; P64-S67 VanDerWaalsContact O-N 3.09Å
65	E	97.2	Very high	95.1	Very high	179 Å²	179	61.3 Å²	61.3	84%	0.836	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	-32.6	-179.1	-61.2	174.6	101.6	0	0	112.6	V63	V63-E65 VanDerWaalsContact C-N 3.26Å; V63-E65 PolarHBondContact O-N 2.64Å
66	D	97.2	Very high	95.2	Very high	110 Å²	110	56.8 Å²	56.8	59%	0.588	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	4	176.8	-77.6	-4.6	0	0	0	112.7	V63 P64 K81	V63-D66 HydrophobicContact CB-CB 4.21Å; V63-D66 HydrophobicContact CG1-CB 3.98Å; V63-D66 PolarHBondContact O-N 2.89Å; P64-D66 VanDerWaalsContact C-N 3.29Å; P64-D66 PolarHBondContact O-N 2.63Å; D66-K81 HydrophobicContact CB-CB 3.66Å; D66-K81 HydrophobicContact CB-CG 3.76Å
67	S	97.6	Very high	95.2	Very high	18 Å²	18	58 Å²	58	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152.3	179.3	-60.4	0	0	0	0	110.5	V63 P64 K79 L80 K81	V63-S67 PolarHBondContact O-N 2.84Å; V63-S67 PolarHBondContact O-OG 3.26Å; P64-S67 WeakPolarHBondContact O-CB 3.28Å; P64-S67 PolarHBondContact O-N 2.79Å; P64-S67 VanDerWaalsContact O-N 3.09Å; S67-K79 CarbonylContact C-O 3.57Å; S67-K79 VanDerWaalsContact CA-O 3.31Å; S67-K79 WeakPolarHBondContact CA-O 3.46Å; S67-K79 WeakPolarHBondContact CB-O 3.2Å; S67-L80 WeakPolarHBondContact OG-CA 3.17Å; S67-K81 PolarHBondContact OG-N 2.77Å
68	S	96.9	Very high	95.3	Very high	65 Å²	65	55 Å²	55	46%	0.455	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.3	-175.4	54.2	0	0	0	0	111.1	K79	S68-K79 PolarHBondContact N-O 2.84Å; S68-K79 PolarHBondContact O-N 2.77Å
69	Y	96.3	Very high	95.4	Very high	94 Å²	94	59.7 Å²	59.7	37%	0.369	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	159.2	169.6	70.8	-82.9	0	0	0	110.7	L28 V33 E77	L28-Y69 HydrophobicContact CD1-CE2 4.09Å; V33-Y69 HydrophobicContact CB-CD1 3.68Å; V33-Y69 HydrophobicContact CB-CD2 4.14Å; V33-Y69 HydrophobicContact CB-CE1 3.9Å; V33-Y69 HydrophobicContact CB-CE2 4.34Å; V33-Y69 HydrophobicContact CB-CG 3.81Å; V33-Y69 HydrophobicContact CG1-CD1 4.27Å; V33-Y69 HydrophobicContact CG1-CG 4.35Å; V33-Y69 HydrophobicContact CG2-CD1 3.97Å; V33-Y69 HydrophobicContact CG2-CD2 3.47Å; V33-Y69 VanDerWaalsContact CG2-CD2 3.47Å; V33-Y69 HydrophobicContact CG2-CE1 4.25Å; V33-Y69 HydrophobicContact CG2-CE2 3.78Å; V33-Y69 HydrophobicContact CG2-CG 3.57Å; Y69-E77 CarbonylContact C-O 3.58Å; Y69-E77 WeakPolarHBondContact CA-O 3.18Å
70	R	94.6	Very high	95.5	Very high	154 Å²	154	58 Å²	58	58%	0.581	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	147	170.6	65.3	-179.9	-172.5	-165.5	-0.2	110.5	E77	R70-E77 HydrophobicContact CG-CB 3.9Å; R70-E77 IonicContact CZ-OE2 2.64Å; R70-E77 PolarHBondContact N-O 2.92Å; R70-E77 IonicContact NE-OE2 3.21Å; R70-E77 PolarHBondContact NE-OE2 2.76Å; R70-E77 VanDerWaalsContact NH2-CD 3.33Å; R70-E77 IonicContact NH2-OE1 3.72Å; R70-E77 PolarHBondContact NH2-OE1 2.89Å; R70-E77 IonicContact NH2-OE2 3.26Å; R70-E77 PolarHBondContact NH2-OE2 2.88Å; R70-E77 PolarHBondContact O-N 3.43Å
71	V	93.6	Very high	95.6	Very high	33 Å²	33	59.3 Å²	59.3	20%	0.2	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.3	175.9	-176.1	0	0	0	0	108.5	M26 L28 V31 I76	M26-V71 HydrophobicContact CB-CG1 4.31Å; L28-V71 HydrophobicContact CD1-CB 4.07Å; L28-V71 HydrophobicContact CD1-CG2 3.62Å; V31-V71 HydrophobicContact CB-CG2 3.96Å; V31-V71 HydrophobicContact CG1-CG2 4.13Å; V31-V71 HydrophobicContact CG2-CG1 4.49Å; V31-V71 HydrophobicContact CG2-CG2 4.16Å; V71-I76 HydrophobicContact CG2-CG1 4.33Å; V71-I76 HydrophobicContact CG2-CG2 4.47Å
72	T	91.6	Very high	95.7	Very high	42 Å²	42	57 Å²	57	26%	0.258	30%	0.296	S	S	.	.			trans	-118	169.4	172.6	71.6	0	0	0	0	108.8	T74 K75 E77	T72-T74 PolarHBondContact O-N 3.41Å; T72-K75 PolarHBondContact N-O 2.96Å; T72-K75 PolarHBondContact O-N 2.83Å; T72-K75 WeakPolarHBondContact OG1-CG 3.35Å; T72-K75 PolarHBondContact OG1-N 3.25Å; T72-K75 VanDerWaalsContact OG1-N 3.14Å; T72-K75 PolarHBondContact OG1-O 2.81Å; T72-E77 WeakPolarHBondContact CG2-OE2 3.47Å
73	A	88.9	Confident	95.6	Very high	80 Å²	80	59.3 Å²	59.3	66%	0.661	32%	0.315	S	S	*	.	S	Bend	trans	-57.8	-20.7	179.5	0	0	0	0	0	115	N25	N25-A73 PolarHBondContact N-O 2.92Å
74	T	91	Very high	95.4	Very high	74 Å²	74	61.6 Å²	61.6	45%	0.454	33%	0.326	S	S	.	.	S	Bend	trans	-121.4	-13.9	-172.8	59.3	0	0	0	0	114.6	R23 T72	R23-T74 CarbonylContact C-O 3.54Å; R23-T74 PolarHBondContact N-O 3.02Å; R23-T74 CarbonylContact O-C 3.51Å; R23-T74 VanDerWaalsContact O-O 3.1Å; T72-T74 PolarHBondContact O-N 3.41Å
75	K	92.5	Very high	95	Very high	46 Å²	46	68 Å²	68	20%	0.2	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	157	-173.2	56.9	175.9	174	165.5	0	112.8	N20 Y21 F22 T72 E77	N20-K75 HydrophobicContact CB-CD 4.29Å; Y21-K75 CarbonylContact O-C 3.48Å; Y21-K75 WeakPolarHBondContact O-CA 3.32Å; Y21-K75 WeakPolarHBondContact O-CB 3.49Å; F22-K75 HydrophobicContact CD1-CB 4.07Å; F22-K75 HydrophobicContact CE1-CD 4.19Å; T72-K75 PolarHBondContact N-O 2.96Å; T72-K75 PolarHBondContact O-N 2.83Å; T72-K75 WeakPolarHBondContact OG1-CG 3.35Å; T72-K75 PolarHBondContact OG1-N 3.25Å; T72-K75 VanDerWaalsContact OG1-N 3.14Å; T72-K75 PolarHBondContact OG1-O 2.81Å; K75-E77 HydrophobicContact CD-CG 3.75Å; K75-E77 VanDerWaalsContact CE-CD 3.41Å; K75-E77 VanDerWaalsContact CE-OE1 3.32Å; K75-E77 WeakPolarHBondContact CE-OE1 3.24Å; K75-E77 HydrophobicContact CG-CG 4Å; K75-E77 VanDerWaalsContact NZ-CD 3.33Å; K75-E77 IonicContact NZ-OE1 3.92Å; K75-E77 PolarHBondContact NZ-OE1 2.89Å; K75-E77 IonicContact NZ-OE2 3.88Å
76	I	94.6	Very high	94.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.1	164.1	-54.1	159.5	0	0	0	106.9	N20 Y21 M26 V31 V33 L42 V71 I78	N20-I76 WeakPolarHBondContact CA-O 3.39Å; Y21-I76 HydrophobicContact CD1-CD1 4.09Å; Y21-I76 PolarHBondContact N-O 2.8Å; Y21-I76 PolarHBondContact O-N 2.88Å; M26-I76 HydrophobicContact CE-CD1 3.48Å; M26-I76 VanDerWaalsContact CE-CD1 3.48Å; M26-I76 HydrophobicContact CE-CG1 3.58Å; M26-I76 HydrophobicContact SD-CD1 4.03Å; V31-I76 HydrophobicContact CB-CD1 4.39Å; V31-I76 HydrophobicContact CG1-CD1 3.53Å; V31-I76 HydrophobicContact CG1-CG1 4.07Å; V31-I76 HydrophobicContact CG1-CG2 4.34Å; V31-I76 HydrophobicContact CG2-CD1 3.87Å; V31-I76 HydrophobicContact CG2-CG1 4.27Å; V33-I76 HydrophobicContact CG2-CG2 4.28Å; L42-I76 HydrophobicContact CD2-CD1 4.46Å; L42-I76 HydrophobicContact CD2-CG2 4.29Å; V71-I76 HydrophobicContact CG2-CG1 4.33Å; V71-I76 HydrophobicContact CG2-CG2 4.47Å; I76-I78 HydrophobicContact CG2-CG1 4.19Å
77	E	95.6	Very high	94.5	Very high	26 Å²	26	61.8 Å²	61.8	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.2	178.1	-58.7	-176.3	102	0	0	108.8	I19 N20 Y69 R70 T72 K75	I19-E77 WeakPolarHBondContact O-CA 3.45Å; N20-E77 WeakPolarHBondContact OD1-CG 3.14Å; Y69-E77 CarbonylContact C-O 3.58Å; Y69-E77 WeakPolarHBondContact CA-O 3.18Å; R70-E77 HydrophobicContact CG-CB 3.9Å; R70-E77 IonicContact CZ-OE2 2.64Å; R70-E77 PolarHBondContact N-O 2.92Å; R70-E77 IonicContact NE-OE2 3.21Å; R70-E77 PolarHBondContact NE-OE2 2.76Å; R70-E77 VanDerWaalsContact NH2-CD 3.33Å; R70-E77 IonicContact NH2-OE1 3.72Å; R70-E77 PolarHBondContact NH2-OE1 2.89Å; R70-E77 IonicContact NH2-OE2 3.26Å; R70-E77 PolarHBondContact NH2-OE2 2.88Å; R70-E77 PolarHBondContact O-N 3.43Å; T72-E77 WeakPolarHBondContact CG2-OE2 3.47Å; K75-E77 HydrophobicContact CD-CG 3.75Å; K75-E77 VanDerWaalsContact CE-CD 3.41Å; K75-E77 VanDerWaalsContact CE-OE1 3.32Å; K75-E77 WeakPolarHBondContact CE-OE1 3.24Å; K75-E77 HydrophobicContact CG-CG 4Å; K75-E77 VanDerWaalsContact NZ-CD 3.33Å; K75-E77 IonicContact NZ-OE1 3.92Å; K75-E77 PolarHBondContact NZ-OE1 2.89Å; K75-E77 IonicContact NZ-OE2 3.88Å
78	I	97.3	Very high	94.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.7	-179.1	-45.4	169.6	0	0	0	107.2	C18 I19 V33 I35 V40 L42 I76 L80	C18-I78 CarbonylContact C-O 3.46Å; C18-I78 VanDerWaalsContact CA-O 3.28Å; C18-I78 WeakPolarHBondContact CA-O 3.44Å; I19-I78 HydrophobicContact CB-CB 4.24Å; I19-I78 HydrophobicContact CB-CD1 4.35Å; I19-I78 PolarHBondContact N-O 2.88Å; I19-I78 PolarHBondContact O-N 3.39Å; V33-I78 HydrophobicContact CG1-CD1 4.26Å; V33-I78 HydrophobicContact CG1-CG1 4.44Å; V33-I78 HydrophobicContact CG1-CG2 4.39Å; I35-I78 HydrophobicContact CD1-CG2 4.11Å; V40-I78 HydrophobicContact CG1-CD1 3.76Å; V40-I78 HydrophobicContact CG1-CG2 4.42Å; L42-I78 HydrophobicContact CD1-CD1 4.07Å; L42-I78 HydrophobicContact CD2-CD1 3.59Å; L42-I78 HydrophobicContact CD2-CG1 4.37Å; L42-I78 HydrophobicContact CG-CD1 3.99Å; I76-I78 HydrophobicContact CG2-CG1 4.19Å; I78-L80 HydrophobicContact CG2-CD2 3.69Å; I78-L80 HydrophobicContact CG2-CG 4.19Å
79	K	97.6	Very high	94.2	Very high	101 Å²	101	62.6 Å²	62.6	44%	0.439	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.7	176.3	-176.3	-179.2	179.8	-174.4	0	108.7	N16 S67 S68	N16-K79 HydrophobicContact CB-CG 4.45Å; S67-K79 CarbonylContact C-O 3.57Å; S67-K79 VanDerWaalsContact CA-O 3.31Å; S67-K79 WeakPolarHBondContact CA-O 3.46Å; S67-K79 WeakPolarHBondContact CB-O 3.2Å; S68-K79 PolarHBondContact N-O 2.84Å; S68-K79 PolarHBondContact O-N 2.77Å
80	L	98.1	Very high	94.1	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.3	-179.7	-51.8	173.8	0	0	0	109.8	N16 I17 I19 I35 V40 L58 V62 S67 I78	N16-L80 CarbonylContact C-O 3.48Å; N16-L80 WeakPolarHBondContact CA-O 3.1Å; N16-L80 WeakPolarHBondContact CB-O 3.34Å; I17-L80 HydrophobicContact CB-CB 4.26Å; I17-L80 HydrophobicContact CB-CD1 4.48Å; I17-L80 HydrophobicContact CG2-CD1 4.48Å; I17-L80 PolarHBondContact N-O 2.8Å; I17-L80 PolarHBondContact O-N 3.12Å; I19-L80 HydrophobicContact CD1-CD1 3.83Å; I35-L80 HydrophobicContact CD1-CD2 3.94Å; I35-L80 HydrophobicContact CG1-CD2 4.27Å; I35-L80 HydrophobicContact CG2-CD2 3.72Å; V40-L80 HydrophobicContact CG2-CD1 3.83Å; V40-L80 HydrophobicContact CG2-CD2 3.82Å; V40-L80 HydrophobicContact CG2-CG 4.46Å; L58-L80 HydrophobicContact CD1-CD1 4.02Å; L58-L80 HydrophobicContact CD2-CD1 3.98Å; V62-L80 HydrophobicContact CB-CB 4.2Å; V62-L80 HydrophobicContact CG1-CB 3.79Å; V62-L80 HydrophobicContact CG1-CD1 4.2Å; S67-L80 WeakPolarHBondContact OG-CA 3.17Å; I78-L80 HydrophobicContact CG2-CD2 3.69Å; I78-L80 HydrophobicContact CG2-CG 4.19Å
81	K	98	Very high	94	Very high	78 Å²	78	53.9 Å²	53.9	34%	0.339	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.5	170.7	178.2	70.2	177.1	-170.9	0	108.6	V62 V63 D66 S67	V62-K81 CarbonylContact C-O 3.43Å; V62-K81 WeakPolarHBondContact CA-O 3.33Å; V62-K81 WeakPolarHBondContact CB-O 3.35Å; V63-K81 HydrophobicContact CB-CB 4.19Å; V63-K81 HydrophobicContact CB-CG 4.07Å; V63-K81 HydrophobicContact CG2-CG 4.2Å; V63-K81 PolarHBondContact N-O 3.32Å; D66-K81 HydrophobicContact CB-CB 3.66Å; D66-K81 HydrophobicContact CB-CG 3.76Å; S67-K81 PolarHBondContact OG-N 2.77Å
82	K	97.5	Very high	94	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.3	176.1	-62.3	175.1	176.2	178.4	0	110	S13 D14 G15 I17 D84 V86	S13-K82 PolarHBondContact O-NZ 2.86Å; D14-K82 WeakPolarHBondContact O-CD 3.4Å; D14-K82 PolarHBondContact O-NZ 3.45Å; G15-K82 PolarHBondContact O-N 3.27Å; I17-K82 HydrophobicContact CG1-CG 4.1Å; K82-D84 VanDerWaalsContact CB-O 3.23Å; K82-D84 WeakPolarHBondContact CB-O 3.23Å; K82-V86 PolarHBondContact NZ-O 3.29Å
83	A	96.5	Very high	93.9	Very high	51 Å²	51	52.8 Å²	52.8	42%	0.421	30%	0.297	S	S	.	.	S	Bend	trans	-69.8	-39.3	170.3	0	0	0	0	0	111.1	E61 V63	E61-A83 HydrophobicContact CB-CB 3.78Å; E61-A83 WeakPolarHBondContact O-CB 3.32Å; E61-A83 PolarHBondContact O-N 3.48Å; V63-A83 HydrophobicContact CG2-CB 4.34Å
84	D	93	Very high	93.2	Very high	92 Å²	92	57 Å²	57	49%	0.492	30%	0.303	S	S	.	.	S	Bend	trans	-118.3	153.6	178.9	-59	-75.4	0	0	0	112.1	K82 V86	K82-D84 VanDerWaalsContact CB-O 3.23Å; K82-D84 WeakPolarHBondContact CB-O 3.23Å; D84-V86 HydrophobicContact CB-CG2 3.94Å; D84-V86 PolarHBondContact O-N 2.86Å
85	K	88.7	Confident	91.6	Very high	174 Å²	174	59.8 Å²	59.8	76%	0.757	32%	0.315	S	S	*	.			trans	-78.5	45.1	175.2	-62.1	-169.9	179.4	-171.7	0	112.9
86	V	91.3	Very high	89.5	Confident	58 Å²	58	61.4 Å²	61.4	35%	0.352	33%	0.332	S	S	.	.			trans	-91.8	139.9	178.5	177.8	0	0	0	0	109.9	K82 D84	K82-V86 PolarHBondContact NZ-O 3.29Å; D84-V86 HydrophobicContact CB-CG2 3.94Å; D84-V86 PolarHBondContact O-N 2.86Å
87	C	93.6	Very high	87.2	Confident	100 Å²	100	68.1 Å²	68.1	68%	0.676	37%	0.372	S	S	*	.			trans	-81.2	114.4	169.3	-170.3	0	0	0	0	109.2	S89	C87-S89 PolarHBondContact O-N 3.07Å
88	W	94.1	Very high	84.7	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.015	41%	0.407	C	S	.	.			trans	-76	121.8	-176.8	-69.2	27.2	0	0	0	109.2	W10 Q12 I17 L58 L59 H60 V62 H90 L91	W10-W88 HydrophobicContact CH2-CB 4.49Å; W10-W88 HydrophobicContact CZ3-CB 4.35Å; Q12-W88 PolarHBondContact NE2-O 3.39Å; I17-W88 HydrophobicContact CD1-CB 4.2Å; I17-W88 HydrophobicContact CD1-CD2 3.77Å; I17-W88 HydrophobicContact CD1-CE3 4.14Å; I17-W88 HydrophobicContact CD1-CG 3.82Å; I17-W88 HydrophobicContact CG1-CD2 3.87Å; I17-W88 HydrophobicContact CG1-CE3 4.03Å; I17-W88 HydrophobicContact CG1-CG 4.41Å; I17-W88 HydrophobicContact CG1-CH2 4.19Å; I17-W88 HydrophobicContact CG1-CZ2 4.06Å; I17-W88 HydrophobicContact CG1-CZ3 4.19Å; L58-W88 HydrophobicContact CB-CH2 3.75Å; L58-W88 HydrophobicContact CB-CZ3 3.9Å; L58-W88 HydrophobicContact CD1-CH2 4.19Å; L58-W88 HydrophobicContact CD2-CH2 4.24Å; L58-W88 HydrophobicContact CD2-CZ3 4.04Å; L58-W88 HydrophobicContact CG-CH2 4.28Å; L58-W88 HydrophobicContact CG-CZ3 4.44Å; L59-W88 HydrophobicContact CB-CD2 4.48Å; L59-W88 HydrophobicContact CB-CE3 4.05Å; L59-W88 HydrophobicContact CB-CZ3 4.37Å; H60-W88 HydrophobicContact CB-CH2 4.46Å; H60-W88 HydrophobicContact CB-CZ2 3.62Å; H60-W88 AromaticContact CD2-CD1 3.57Å; H60-W88 AromaticContact CD2-CE2 3.93Å; H60-W88 AromaticContact CD2-CG 3.9Å; H60-W88 AromaticContact CD2-NE1 3.59Å; H60-W88 AromaticContact CG-NE1 3.89Å; H60-W88 VanDerWaalsContact O-CH2 3.24Å; H60-W88 WeakPolarHBondContact O-CH2 3.48Å; H60-W88 WeakPolarHBondContact O-CZ2 2.85Å; V62-W88 HydrophobicContact CG1-CH2 3.9Å; V62-W88 HydrophobicContact CG1-CZ2 3.99Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-L91 HydrophobicContact CE3-CD1 4.34Å; W88-L91 HydrophobicContact CZ3-CD1 4.12Å; W88-L91 WeakPolarHBondContact CZ3-O 3.18Å
89	S	93.7	Very high	81.9	Confident	96 Å²	96	76.4 Å²	76.4	67%	0.671	44%	0.437	S	S	*	.	S	Bend	trans	-72.7	-25.9	177.9	56.4	0	0	0	0	112.3	C87	C87-S89 PolarHBondContact O-N 3.07Å
90	H	93.8	Very high	79	Confident	60 Å²	60	77.9 Å²	77.9	28%	0.278	46%	0.46	S	S	.	.	S	Bend	trans	-154.8	163.4	174.6	50.1	-86.7	0	0	0	109.5	L59 W88 E92	L59-H90 WeakPolarHBondContact CD1-NE2 3.43Å; L59-H90 WeakPolarHBondContact CD2-O 3.49Å; W88-H90 VanDerWaalsContact C-N 3.28Å; H90-E92 PolarHBondContact CD2-O 2.83Å
91	L	94.2	Very high	76.2	Confident	5 Å²	5	81 Å²	81	3%	0.026	49%	0.492	C	S	.	.	S	Bend	trans	-75.2	-45.1	-175.5	-176.9	66.3	0	0	0	113.1	Y8 W10 I17 I19 F56 L58 L59 W88	Y8-L91 HydrophobicContact CD2-CD2 4.33Å; Y8-L91 HydrophobicContact CE2-CD2 3.9Å; W10-L91 HydrophobicContact CB-CD1 4.42Å; W10-L91 HydrophobicContact CB-CD2 4.12Å; W10-L91 HydrophobicContact CD2-CB 3.85Å; W10-L91 HydrophobicContact CD2-CD1 4.31Å; W10-L91 HydrophobicContact CE3-CB 4.44Å; W10-L91 HydrophobicContact CE3-CD1 4.35Å; W10-L91 HydrophobicContact CG-CB 3.96Å; W10-L91 HydrophobicContact CG-CD1 4.33Å; W10-L91 HydrophobicContact CG-CD2 4.05Å; W10-L91 HydrophobicContact CG-CG 4.35Å; W10-L91 HydrophobicContact CZ2-CB 4.44Å; I17-L91 HydrophobicContact CG2-CD1 3.71Å; I19-L91 HydrophobicContact CD1-CD1 3.96Å; I19-L91 HydrophobicContact CD1-CD2 3.98Å; I19-L91 HydrophobicContact CG1-CD1 4.01Å; I19-L91 HydrophobicContact CG1-CD2 4.06Å; F56-L91 HydrophobicContact CD1-CD2 3.69Å; F56-L91 HydrophobicContact CE1-CD2 4.01Å; F56-L91 HydrophobicContact CG-CD2 4.38Å; L58-L91 HydrophobicContact CD2-CD1 4.27Å; L59-L91 PolarHBondContact N-O 2.74Å; W88-L91 HydrophobicContact CE3-CD1 4.34Å; W88-L91 HydrophobicContact CZ3-CD1 4.12Å; W88-L91 WeakPolarHBondContact CZ3-O 3.18Å
92	E	93.3	Very high	73.8	Confident	31 Å²	31	84.2 Å²	84.2	15%	0.145	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-110.6	131	-167.2	-62.8	-174.4	81.9	0	0	112.7	Y8 K54 F56 Q57 H90 Q94	Y8-E92 PolarHBondContact OH-OE2 2.7Å; K54-E92 IonicContact NZ-OE1 3.39Å; K54-E92 IonicContact NZ-OE2 2.63Å; K54-E92 PolarHBondContact NZ-OE2 3.06Å; F56-E92 WeakPolarHBondContact CA-OE1 3.27Å; F56-E92 HydrophobicContact CB-CG 4.32Å; F56-E92 HydrophobicContact CD1-CG 4.11Å; Q57-E92 PolarHBondContact N-OE1 2.96Å; Q57-E92 CarbonylContact O-C 3.51Å; Q57-E92 WeakPolarHBondContact O-CA 3.42Å; Q57-E92 WeakPolarHBondContact O-CB 3.31Å; H90-E92 PolarHBondContact CD2-O 2.83Å; E92-Q94 PolarHBondContact O-N 2.84Å
93	S	89.5	Confident	71.5	Confident	20 Å²	20	94.2 Å²	94.2	14%	0.14	55%	0.549	C	S	.	.			trans	-52.9	139.1	169.2	58.9	0	0	0	0	110.1	Q57 D95	Q57-S93 WeakPolarHBondContact CG-OG 3.4Å; Q57-S93 PolarHBondContact O-N 2.88Å; Q57-S93 PolarHBondContact O-OG 2.93Å; S93-D95 PolarHBondContact O-N 2.82Å
94	Q	73.5	Confident	68.8	Low	170 Å²	170	101.3 Å²	101.3	79%	0.794	57%	0.57	S	S	*	*	S	Bend	trans	-65.7	-4.3	-178.7	-65.3	-178.7	3.9	0	0	113.8	E92 C96	E92-Q94 PolarHBondContact O-N 2.84Å; Q94-C96 PolarHBondContact O-N 3.3Å
95	D	58	Low	66.2	Low	132 Å²	132	105.2 Å²	105.2	71%	0.706	59%	0.59	S	S	*	*			trans	-80.9	59.8	176.1	-55.8	-65.5	0	0	0	112.3	S93 V97	S93-D95 PolarHBondContact O-N 2.82Å; D95-V97 PolarHBondContact O-N 3.24Å
96	C	48.5	Very low	64.2	Low	80 Å²	80	106.2 Å²	106.2	54%	0.541	60%	0.595	S	S	.	*			trans	-90.5	87.9	166.6	-75.2	0	0	0	0	109.3	Q94 T98	Q94-C96 PolarHBondContact O-N 3.3Å; C96-T98 VanDerWaalsContact C-N 3.32Å; C96-T98 PolarHBondContact O-N 3.25Å
97	V	45.5	Very low	62.1	Low	140 Å²	140	111.3 Å²	111.3	85%	0.848	62%	0.619	S	S	*	*			trans	-73.5	88.2	164.6	-78.2	0	0	0	0	109.7	D95 G99	D95-V97 PolarHBondContact O-N 3.24Å; V97-G99 VanDerWaalsContact C-N 3.35Å; V97-G99 PolarHBondContact O-N 3.4Å
98	T	42.8	Very low	59.6	Low	140 Å²	140	112.1 Å²	112.1	86%	0.859	62%	0.621	S	S	*	*			trans	-62.4	100.2	154.9	-61.4	0	0	0	0	107.7	C96	C96-T98 VanDerWaalsContact C-N 3.32Å; C96-T98 PolarHBondContact O-N 3.25Å
99	G	38.7	Very low	57.6	Low	62 Å²	62	123.6 Å²	123.6	64%	0.639	66%	0.664	S	S	*	*	S	Bend	trans	66.9	113.7	159.9	0	0	0	0	0	116.6	V97	V97-G99 VanDerWaalsContact C-N 3.35Å; V97-G99 PolarHBondContact O-N 3.4Å
100	S	37.5	Very low	55	Low	132 Å²	132	123.8 Å²	123.8	92%	0.923	66%	0.661	S	S	*	*	S	Bend	trans	50.2	96.8	150.1	-157.2	0	0	0	0	117.1
101	G	38.5	Very low	52.2	Low	64 Å²	64	128.8 Å²	128.8	66%	0.66	68%	0.684	S	S	*	*			trans	128.8	117.9	145	0	0	0	0	0	118
102	I	48.1	Very low	50.5	Low	147 Å²	147	140.1 Å²	140.1	75%	0.754	74%	0.744	S	S	*	*				79.2	97.3	129.6	-56.8	176.7	0	0	0	117.6
103	R	47.8	Very low	48.3	Very low	220 Å²	220	145.6 Å²	145.6	83%	0.83	77%	0.774	S	S	*	*				74	122.5	129.2	-57.7	174.7	-166.4	-147.9	1	120.1
104	K	41.4	Very low	46.2	Very low	201 Å²	201	152.2 Å²	152.2	87%	0.874	81%	0.807	S	S	*	*				-154.2	98.2	111.9	-125.3	172.9	-177.1	170.8	0	111.4	K106	K104-K106 PolarHBondContact O-N 3.09Å
105	L	37.5	Very low	44.6	Very low	173 Å²	173	151.2 Å²	151.2	91%	0.906	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.3	117.7	159.5	-82.7	130.7	0	0	0	107.5
106	K	46.8	Very low	43.8	Very low	196 Å²	196	152.3 Å²	152.3	85%	0.852	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89.7	121.6	160.2	-97.9	-173	176.3	-177.8	0	108.5	K104	K104-K106 PolarHBondContact O-N 3.09Å
107	L	46.7	Very low	43.6	Very low	164 Å²	164	156.8 Å²	156.8	86%	0.859	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-56.2	129.6	179.9	-157.1	82.3	0	0	0	111.7
108	V	42.2	Very low	43.4	Very low	118 Å²	118	157.9 Å²	157.9	72%	0.715	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.8	133.7	164.5	177.8	0	0	0	0	108	V110	V108-V110 HydrophobicContact CG1-CG2 3.72Å
109	R	51.4	Low	43.5	Very low	244 Å²	244	159.2 Å²	159.2	92%	0.921	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-96.2	123.7	160.2	-98	-175.1	167.2	178.9	-4.1	108.3
110	V	39.5	Very low	43.8	Very low	101 Å²	101	166.7 Å²	166.7	61%	0.612	84%	0.842	S	S	*	*			trans	-108.5	158.3	174.9	-170.2	0	0	0	0	109	V108	V108-V110 HydrophobicContact CG1-CG2 3.72Å
111	Q	35.4	Very low	44.4	Very low	164 Å²	164	169.6 Å²	169.6	77%	0.766	84%	0.835	S	S	*	*			trans	79.6	138.1	159.3	-83.8	126.6	-23.1	0	0	116.4
112	L	57.1	Low	44.9	Very low	243 Å²	243	179.2 Å²	179.2	100%	1.272	85%	0.851	S	S	*	*			cis	-120	0	30.7	-71	151.9	0	0	0	114.5

Retrieved 112 of 112 residues in 117.3 ms (Link to these results)

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