A0A5K4F522_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F522, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 133 aa.

						>A0A5K4F522_SCHMA|A0A5K4F522
MNYKEFTSFIYLLICIVLMLDVFNVQGIKLPKICGDDKKKIEDDVERMIDMIDEEKFGPSDETDPPGWESDTRYEKEIRIGKVKKGGKFGPEGKRIERVILKKKKPFGKNNSRPDFSDWEYTEEDERELLVNE
					

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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	52.5	Low	65.2	Low	181 Å²	181	115.8 Å²	115.8	89%	0.892	55%	0.548	S	S	*	.				0	136.9	0	-141.2	174.9	-176.6	0	0	109.6
2	N	55.5	Low	66.4	Low	119 Å²	119	114.8 Å²	114.8	64%	0.636	55%	0.547	S	S	*	.			trans	-72.3	137.7	-178.3	-121.4	-37.9	0	0	0	109.8	K4 E5 F6	N2-K4 PolarHBondContact O-N 3.15Å; N2-E5 HydrophobicContact CB-CG 4.26Å; N2-E5 PolarHBondContact N-OE2 2.74Å; N2-E5 WeakPolarHBondContact O-CB 3.19Å; N2-E5 PolarHBondContact O-N 3.31Å; N2-F6 PolarHBondContact O-N 3.35Å
3	Y	58.6	Low	67.3	Low	188 Å²	188	112.2 Å²	112.2	74%	0.737	54%	0.538	S	S	*	.	H	α-helix	trans	-55.9	-32	-173.2	-150.9	-89	0	0	0	112.9	F6 T7	Y3-F6 PolarHBondContact O-N 3.37Å; Y3-T7 HydrophobicContact CD1-CG2 4.15Å; Y3-T7 HydrophobicContact CE1-CG2 4.14Å; Y3-T7 PolarHBondContact O-N 2.82Å; Y3-T7 PolarHBondContact O-OG1 3.44Å; Y3-T7 VanDerWaalsContact O-OG1 3.07Å
4	K	59.5	Low	68.2	Low	182 Å²	182	110.3 Å²	110.3	79%	0.791	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-40	174.8	-71.2	-176	177.3	178.9	0	113.5	N2 F6 T7 S8	N2-K4 PolarHBondContact O-N 3.15Å; K4-F6 VanDerWaalsContact C-N 3.34Å; K4-T7 WeakPolarHBondContact CA-OG1 3.48Å; K4-T7 PolarHBondContact O-OG1 3.25Å; K4-S8 WeakPolarHBondContact O-CB 3.34Å; K4-S8 PolarHBondContact O-N 2.79Å
5	E	60.5	Low	68.5	Low	112 Å²	112	107.4 Å²	107.4	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-69.4	-38.4	177.7	-65.8	173.1	160	0	0	110.2	N2 S8 F9	N2-E5 HydrophobicContact CB-CG 4.26Å; N2-E5 PolarHBondContact N-OE2 2.74Å; N2-E5 WeakPolarHBondContact O-CB 3.19Å; N2-E5 PolarHBondContact O-N 3.31Å; E5-S8 PolarHBondContact O-N 2.85Å; E5-F9 WeakPolarHBondContact O-CB 3.25Å; E5-F9 PolarHBondContact O-N 2.82Å
6	F	64.9	Low	69.1	Low	49 Å²	49	106.1 Å²	106.1	22%	0.215	52%	0.521	C	S	.	.	H	α-helix	trans	-65.5	-45.4	177.3	-172.9	-102.5	0	0	0	112.4	N2 Y3 K4 S8 F9 I10	N2-F6 PolarHBondContact O-N 3.35Å; Y3-F6 PolarHBondContact O-N 3.37Å; K4-F6 VanDerWaalsContact C-N 3.34Å; F6-S8 VanDerWaalsContact C-N 3.3Å; F6-S8 PolarHBondContact O-N 2.86Å; F6-F9 PolarHBondContact O-N 2.97Å; F6-I10 HydrophobicContact CD1-CD1 4.16Å; F6-I10 HydrophobicContact CE1-CD1 3.31Å; F6-I10 HydrophobicContact CE1-CG1 4.04Å; F6-I10 HydrophobicContact CE2-CD1 4.44Å; F6-I10 HydrophobicContact CZ-CD1 3.45Å; F6-I10 VanDerWaalsContact CZ-CD1 3.45Å; F6-I10 HydrophobicContact CZ-CG1 3.98Å; F6-I10 PolarHBondContact O-N 2.88Å
7	T	71.8	Confident	69.6	Low	62 Å²	62	104.8 Å²	104.8	38%	0.38	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-36.4	174.3	44.3	0	0	0	0	112.2	Y3 K4 F9 I10 Y11	Y3-T7 HydrophobicContact CD1-CG2 4.15Å; Y3-T7 HydrophobicContact CE1-CG2 4.14Å; Y3-T7 PolarHBondContact O-N 2.82Å; Y3-T7 PolarHBondContact O-OG1 3.44Å; Y3-T7 VanDerWaalsContact O-OG1 3.07Å; K4-T7 WeakPolarHBondContact CA-OG1 3.48Å; K4-T7 PolarHBondContact O-OG1 3.25Å; T7-F9 VanDerWaalsContact C-N 3.32Å; T7-I10 PolarHBondContact O-N 2.79Å; T7-Y11 WeakPolarHBondContact O-CB 3.28Å; T7-Y11 WeakPolarHBondContact O-CD2 3.39Å; T7-Y11 PolarHBondContact O-N 3.2Å
8	S	71.1	Confident	69.8	Low	80 Å²	80	104.7 Å²	104.7	56%	0.559	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-38.4	176.2	-168.6	0	0	0	0	111.5	K4 E5 F6 L12	K4-S8 WeakPolarHBondContact O-CB 3.34Å; K4-S8 PolarHBondContact O-N 2.79Å; E5-S8 PolarHBondContact O-N 2.85Å; F6-S8 VanDerWaalsContact C-N 3.3Å; F6-S8 PolarHBondContact O-N 2.86Å; S8-L12 WeakPolarHBondContact O-CB 3.19Å; S8-L12 PolarHBondContact O-N 2.9Å
9	F	73	Confident	70	Confident	68 Å²	68	105.5 Å²	105.5	30%	0.298	53%	0.525	S	S	.	.	H	α-helix	trans	-68.1	-43.3	177.2	-176.2	-102.8	0	0	0	112.1	E5 F6 T7 L12 L13 M48	E5-F9 WeakPolarHBondContact O-CB 3.25Å; E5-F9 PolarHBondContact O-N 2.82Å; F6-F9 PolarHBondContact O-N 2.97Å; T7-F9 VanDerWaalsContact C-N 3.32Å; F9-L12 WeakPolarHBondContact O-CB 3.39Å; F9-L12 PolarHBondContact O-N 3.45Å; F9-L13 HydrophobicContact CD1-CD1 3.83Å; F9-L13 HydrophobicContact CE1-CD1 3.4Å; F9-L13 HydrophobicContact CE1-CG 4.32Å; F9-L13 HydrophobicContact CZ-CD1 3.95Å; F9-L13 HydrophobicContact CZ-CG 4.48Å; F9-L13 PolarHBondContact O-N 2.73Å; F9-M48 HydrophobicContact CZ-SD 4.14Å
10	I	76.7	Confident	69.9	Low	65 Å²	65	104.8 Å²	104.8	33%	0.333	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-43.9	174.3	-70.9	-167.6	0	0	0	111.4	F6 T7 L12 L13 I14	F6-I10 HydrophobicContact CD1-CD1 4.16Å; F6-I10 HydrophobicContact CE1-CD1 3.31Å; F6-I10 HydrophobicContact CE1-CG1 4.04Å; F6-I10 HydrophobicContact CE2-CD1 4.44Å; F6-I10 HydrophobicContact CZ-CD1 3.45Å; F6-I10 VanDerWaalsContact CZ-CD1 3.45Å; F6-I10 HydrophobicContact CZ-CG1 3.98Å; F6-I10 PolarHBondContact O-N 2.88Å; T7-I10 PolarHBondContact O-N 2.79Å; I10-L12 VanDerWaalsContact C-N 3.26Å; I10-L12 PolarHBondContact O-N 3.02Å; I10-L13 PolarHBondContact O-N 3.26Å; I10-I14 HydrophobicContact CG2-CD1 3.7Å; I10-I14 HydrophobicContact CG2-CG1 4.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.44Å; I10-I14 PolarHBondContact O-N 3.01Å
11	Y	72.9	Confident	69.6	Low	168 Å²	168	104.1 Å²	104.1	66%	0.659	52%	0.521	S	S	*	.	H	α-helix	trans	-60.1	-39.1	175.7	-102.9	-80.4	0	0	0	111.8	T7 I14 C15	T7-Y11 WeakPolarHBondContact O-CB 3.28Å; T7-Y11 WeakPolarHBondContact O-CD2 3.39Å; T7-Y11 PolarHBondContact O-N 3.2Å; Y11-I14 PolarHBondContact O-N 3.02Å; Y11-C15 WeakPolarHBondContact O-CB 3.44Å; Y11-C15 PolarHBondContact O-N 3.45Å; Y11-C15 PolarHBondContact O-SG 2.7Å
12	L	79.6	Confident	70.1	Confident	104 Å²	104	99 Å²	99	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-45.9	175.2	-167.8	80.3	0	0	0	111.3	S8 F9 I10 C15 I16	S8-L12 WeakPolarHBondContact O-CB 3.19Å; S8-L12 PolarHBondContact O-N 2.9Å; F9-L12 WeakPolarHBondContact O-CB 3.39Å; F9-L12 PolarHBondContact O-N 3.45Å; I10-L12 VanDerWaalsContact C-N 3.26Å; I10-L12 PolarHBondContact O-N 3.02Å; L12-C15 PolarHBondContact O-N 3.45Å; L12-I16 HydrophobicContact CG-CD1 4.24Å; L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 2.75Å
13	L	78.9	Confident	70.3	Confident	81 Å²	81	97.3 Å²	97.3	42%	0.424	49%	0.486	S	S	.	.	H	α-helix	trans	-61.1	-46.5	177	-84.3	165.5	0	0	0	112.3	F9 I10 C15 I16 V17	F9-L13 HydrophobicContact CD1-CD1 3.83Å; F9-L13 HydrophobicContact CE1-CD1 3.4Å; F9-L13 HydrophobicContact CE1-CG 4.32Å; F9-L13 HydrophobicContact CZ-CD1 3.95Å; F9-L13 HydrophobicContact CZ-CG 4.48Å; F9-L13 PolarHBondContact O-N 2.73Å; I10-L13 PolarHBondContact O-N 3.26Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 2.94Å; L13-I16 PolarHBondContact O-N 2.76Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.1Å
14	I	78.8	Confident	70.4	Confident	85 Å²	85	94.5 Å²	94.5	44%	0.436	48%	0.484	S	S	.	.	H	α-helix	trans	-61.4	-43.7	177.4	-67.2	169	0	0	0	110.4	I10 Y11 I16 V17 L18	I10-I14 HydrophobicContact CG2-CD1 3.7Å; I10-I14 HydrophobicContact CG2-CG1 4.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.44Å; I10-I14 PolarHBondContact O-N 3.01Å; Y11-I14 PolarHBondContact O-N 3.02Å; I14-I16 VanDerWaalsContact C-N 3.31Å; I14-I16 PolarHBondContact O-N 2.76Å; I14-V17 PolarHBondContact O-N 2.95Å; I14-L18 HydrophobicContact CG2-CD1 3.86Å; I14-L18 HydrophobicContact CG2-CG 4.26Å; I14-L18 WeakPolarHBondContact O-CB 3.21Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 2.81Å
15	C	72.8	Confident	70.3	Confident	67 Å²	67	91.9 Å²	91.9	45%	0.453	48%	0.483	S	S	.	.	H	α-helix	trans	-60.1	-39.9	175.9	-77	0	0	0	0	112.4	Y11 L12 L13 M19	Y11-C15 WeakPolarHBondContact O-CB 3.44Å; Y11-C15 PolarHBondContact O-N 3.45Å; Y11-C15 PolarHBondContact O-SG 2.7Å; L12-C15 PolarHBondContact O-N 3.45Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 2.94Å; C15-M19 WeakPolarHBondContact O-CB 2.92Å; C15-M19 WeakPolarHBondContact O-CG 3.3Å; C15-M19 PolarHBondContact O-N 3.15Å
16	I	78.9	Confident	70	Confident	87 Å²	87	92.7 Å²	92.7	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-46.1	177.5	-68.7	164.1	0	0	0	110.7	L12 L13 I14 M19 L20	L12-I16 HydrophobicContact CG-CD1 4.24Å; L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 2.75Å; L13-I16 PolarHBondContact O-N 2.76Å; I14-I16 VanDerWaalsContact C-N 3.31Å; I14-I16 PolarHBondContact O-N 2.76Å; I16-M19 PolarHBondContact O-N 3.33Å; I16-L20 HydrophobicContact CG2-CD1 4.07Å; I16-L20 WeakPolarHBondContact O-CG 3.23Å; I16-L20 PolarHBondContact O-N 2.92Å
17	V	77.5	Confident	69.2	Low	84 Å²	84	93.4 Å²	93.4	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-45.5	178.5	174.2	0	0	0	0	111.1	L13 I14 M19 L20 D21	L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.1Å; I14-V17 PolarHBondContact O-N 2.95Å; V17-M19 VanDerWaalsContact C-N 3.33Å; V17-M19 PolarHBondContact O-N 3.39Å; V17-L20 PolarHBondContact O-N 3.45Å; V17-D21 PolarHBondContact O-N 3.42Å
18	L	72.5	Confident	68.2	Low	103 Å²	103	94.3 Å²	94.3	54%	0.539	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-39.9	177.7	-71.5	174.9	0	0	0	112.2	I14 D21 V22	I14-L18 HydrophobicContact CG2-CD1 3.86Å; I14-L18 HydrophobicContact CG2-CG 4.26Å; I14-L18 WeakPolarHBondContact O-CB 3.21Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 2.81Å; L18-D21 PolarHBondContact O-N 2.94Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.01Å; L18-V22 PolarHBondContact O-N 2.95Å
19	M	74	Confident	67.2	Low	120 Å²	120	99.9 Å²	99.9	59%	0.591	52%	0.524	S	S	*	.	H	α-helix	trans	-63.1	-44.7	174.9	-74.1	-68.8	-132.1	0	0	111	C15 I16 V17 D21 V22 F23	C15-M19 WeakPolarHBondContact O-CB 2.92Å; C15-M19 WeakPolarHBondContact O-CG 3.3Å; C15-M19 PolarHBondContact O-N 3.15Å; I16-M19 PolarHBondContact O-N 3.33Å; V17-M19 VanDerWaalsContact C-N 3.33Å; V17-M19 PolarHBondContact O-N 3.39Å; M19-D21 VanDerWaalsContact C-N 3.35Å; M19-D21 PolarHBondContact O-N 3.19Å; M19-V22 PolarHBondContact O-N 3.42Å; M19-F23 HydrophobicContact CB-CE2 4.28Å; M19-F23 WeakPolarHBondContact O-CD2 3.22Å; M19-F23 PolarHBondContact O-N 3.37Å
20	L	68.5	Low	66.1	Low	90 Å²	90	100.8 Å²	100.8	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-61	-40.9	177.2	-71.5	171	0	0	0	112.4	I16 V17 F23 N24	I16-L20 HydrophobicContact CG2-CD1 4.07Å; I16-L20 WeakPolarHBondContact O-CG 3.23Å; I16-L20 PolarHBondContact O-N 2.92Å; V17-L20 PolarHBondContact O-N 3.45Å; L20-F23 PolarHBondContact O-N 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.46Å; L20-N24 PolarHBondContact O-N 2.99Å
21	D	63.3	Low	64.8	Low	92 Å²	92	102.9 Å²	102.9	49%	0.492	55%	0.549	S	S	.	.	H	α-helix	trans	-65.5	-40.9	175.7	-104.2	-6.7	0	0	0	112.3	V17 L18 M19 F23 N24 V25	V17-D21 PolarHBondContact O-N 3.42Å; L18-D21 PolarHBondContact O-N 2.94Å; M19-D21 VanDerWaalsContact C-N 3.35Å; M19-D21 PolarHBondContact O-N 3.19Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 2.97Å; D21-N24 WeakPolarHBondContact O-CB 3.49Å; D21-N24 PolarHBondContact O-N 3.3Å; D21-N24 VanDerWaalsContact O-N 3.1Å; D21-V25 WeakPolarHBondContact O-CG2 3.46Å; D21-V25 PolarHBondContact O-N 2.75Å
22	V	63	Low	63.6	Low	73 Å²	73	104.8 Å²	104.8	44%	0.442	56%	0.561	S	S	.	*	H	α-helix	trans	-62.7	-39.9	174.6	171.8	0	0	0	0	110.9	L18 M19 N24 V25 Q26	L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.01Å; L18-V22 PolarHBondContact O-N 2.95Å; M19-V22 PolarHBondContact O-N 3.42Å; V22-N24 VanDerWaalsContact C-N 3.29Å; V22-N24 PolarHBondContact O-N 2.78Å; V22-V25 PolarHBondContact O-N 3.02Å; V22-Q26 HydrophobicContact CG1-CG 4.47Å; V22-Q26 WeakPolarHBondContact O-CB 3.09Å; V22-Q26 WeakPolarHBondContact O-CG 2.79Å; V22-Q26 PolarHBondContact O-N 2.83Å
23	F	60.6	Low	62.1	Low	83 Å²	83	104.1 Å²	104.1	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-63.7	-35.8	173.2	-74.4	-63.6	0	0	0	112.2	M19 L20 D21 I28 L30	M19-F23 HydrophobicContact CB-CE2 4.28Å; M19-F23 WeakPolarHBondContact O-CD2 3.22Å; M19-F23 PolarHBondContact O-N 3.37Å; L20-F23 PolarHBondContact O-N 3.31Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 2.97Å; F23-I28 HydrophobicContact CD1-CB 4.35Å; F23-I28 HydrophobicContact CD1-CD1 4.07Å; F23-I28 HydrophobicContact CD1-CG2 4.34Å; F23-I28 HydrophobicContact CE1-CD1 4.37Å; F23-L30 HydrophobicContact CB-CD1 4.43Å
24	N	59.5	Low	60.3	Low	129 Å²	129	104 Å²	104	69%	0.69	56%	0.562	S	S	*	*	H	α-helix	trans	-69.2	-42.3	178.5	-140.8	10.2	0	0	0	111.8	L20 D21 V22	L20-N24 WeakPolarHBondContact O-CB 3.46Å; L20-N24 PolarHBondContact O-N 2.99Å; D21-N24 WeakPolarHBondContact O-CB 3.49Å; D21-N24 PolarHBondContact O-N 3.3Å; D21-N24 VanDerWaalsContact O-N 3.1Å; V22-N24 VanDerWaalsContact C-N 3.29Å; V22-N24 PolarHBondContact O-N 2.78Å
25	V	57	Low	58.9	Low	128 Å²	128	102.8 Å²	102.8	78%	0.776	57%	0.571	S	S	*	*	H	α-helix	trans	-70.3	-35.4	178.2	171.5	0	0	0	0	112.3	D21 V22 G27	D21-V25 WeakPolarHBondContact O-CG2 3.46Å; D21-V25 PolarHBondContact O-N 2.75Å; V22-V25 PolarHBondContact O-N 3.02Å; V25-G27 PolarHBondContact O-N 3.05Å
26	Q	54.1	Low	57.8	Low	128 Å²	128	106 Å²	106	60%	0.598	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-0.6	-179	-72.6	-173.6	-0.7	0	0	114.1	V22 I28	V22-Q26 HydrophobicContact CG1-CG 4.47Å; V22-Q26 WeakPolarHBondContact O-CB 3.09Å; V22-Q26 WeakPolarHBondContact O-CG 2.79Å; V22-Q26 PolarHBondContact O-N 2.83Å; Q26-I28 HydrophobicContact CB-CD1 3.9Å; Q26-I28 HydrophobicContact CB-CG1 3.87Å; Q26-I28 PolarHBondContact O-N 3.04Å; Q26-I28 VanDerWaalsContact OE1-CD1 3.26Å
27	G	49.2	Very low	56.4	Low	64 Å²	64	106.1 Å²	106.1	66%	0.66	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.6	16.9	-178.5	0	0	0	0	0	113	V25 K29	V25-G27 PolarHBondContact O-N 3.05Å; G27-K29 VanDerWaalsContact C-N 3.34Å; G27-K29 PolarHBondContact O-N 2.65Å
28	I	51.1	Low	55.1	Low	81 Å²	81	107.9 Å²	107.9	42%	0.415	59%	0.585	S	S	.	*			trans	-70.4	100.2	173	-62.2	172.9	0	0	0	104.5	F23 Q26 L30	F23-I28 HydrophobicContact CD1-CB 4.35Å; F23-I28 HydrophobicContact CD1-CD1 4.07Å; F23-I28 HydrophobicContact CD1-CG2 4.34Å; F23-I28 HydrophobicContact CE1-CD1 4.37Å; Q26-I28 HydrophobicContact CB-CD1 3.9Å; Q26-I28 HydrophobicContact CB-CG1 3.87Å; Q26-I28 PolarHBondContact O-N 3.04Å; Q26-I28 VanDerWaalsContact OE1-CD1 3.26Å; I28-L30 VanDerWaalsContact C-N 3.29Å; I28-L30 PolarHBondContact O-N 3.28Å
29	K	49.6	Very low	54.4	Low	198 Å²	198	110.1 Å²	110.1	86%	0.861	59%	0.591	S	S	*	*			trans	-53	101.6	166.8	-80	177	177.8	170.1	0	106.4	G27 P31	G27-K29 VanDerWaalsContact C-N 3.34Å; G27-K29 PolarHBondContact O-N 2.65Å; K29-P31 VanDerWaalsContact O-N 3.12Å
30	L	50.1	Low	53.7	Low	87 Å²	87	111 Å²	111	46%	0.455	59%	0.592	S	S	.	*			trans	-44.6	124.5	164	-102.7	130.5	0	0	0	105.9	F23 I28 K32 I33	F23-L30 HydrophobicContact CB-CD1 4.43Å; I28-L30 VanDerWaalsContact C-N 3.29Å; I28-L30 PolarHBondContact O-N 3.28Å; L30-K32 PolarHBondContact O-N 3.18Å; L30-I33 HydrophobicContact CD2-CD1 4Å
31	P	49.2	Very low	53.3	Low	109 Å²	109	111.3 Å²	111.3	71%	0.708	59%	0.593	S	S	*	*			trans	-50.8	123.4	175.3	20.7	-29.9	0	0	0	105.5	K29 I33	K29-P31 VanDerWaalsContact O-N 3.12Å; P31-I33 VanDerWaalsContact C-N 3.27Å; P31-I33 PolarHBondContact O-N 3.15Å
32	K	46.3	Very low	53.2	Low	208 Å²	208	111.6 Å²	111.6	90%	0.904	59%	0.591	S	S	*	*			trans	-43.1	97.8	-175.6	-78.7	177.7	176.2	175.8	0	107.9	L30 C34	L30-K32 PolarHBondContact O-N 3.18Å; K32-C34 PolarHBondContact O-N 3.05Å
33	I	48.7	Very low	53.3	Low	90 Å²	90	113 Å²	113	46%	0.462	60%	0.596	S	S	.	*			trans	-62.1	117	168.9	-67.6	172	0	0	0	101.8	L30 P31 G35 D37	L30-I33 HydrophobicContact CD2-CD1 4Å; P31-I33 VanDerWaalsContact C-N 3.27Å; P31-I33 PolarHBondContact O-N 3.15Å; I33-G35 PolarHBondContact O-N 3.48Å; I33-D37 HydrophobicContact CG2-CB 3.62Å
34	C	42.6	Very low	53.4	Low	78 Å²	78	113.1 Å²	113.1	53%	0.527	60%	0.6	S	S	.	*			trans	-48.2	136.4	-174	-156	0	0	0	0	107.6	K32 D36 D37	K32-C34 PolarHBondContact O-N 3.05Å; C34-D36 PolarHBondContact O-N 3.38Å; C34-D37 PolarHBondContact O-N 2.96Å
35	G	48.4	Very low	53.6	Low	60 Å²	60	110.4 Å²	110.4	62%	0.619	59%	0.589	S	S	*	*	H	α-helix	trans	-54.6	-17	-170.9	0	0	0	0	0	114.6	I33	I33-G35 PolarHBondContact O-N 3.48Å
36	D	48.9	Very low	53.9	Low	133 Å²	133	110.3 Å²	110.3	71%	0.711	58%	0.58	S	S	*	*	H	α-helix	trans	-77.8	-31.9	175.9	-62.6	-33.3	0	0	0	113.9	C34	C34-D36 PolarHBondContact O-N 3.38Å
37	D	49.6	Very low	54.4	Low	91 Å²	91	112.5 Å²	112.5	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-80.3	-26.7	-179.9	-69.7	-32.4	0	0	0	112.1	I33 C34 K40 I41	I33-D37 HydrophobicContact CG2-CB 3.62Å; C34-D37 PolarHBondContact O-N 2.96Å; D37-K40 PolarHBondContact O-N 3.37Å; D37-I41 WeakPolarHBondContact O-CG1 3.38Å; D37-I41 PolarHBondContact O-N 3Å; D37-I41 VanDerWaalsContact O-N 3.13Å
38	K	51.7	Low	54.9	Low	120 Å²	120	113.1 Å²	113.1	52%	0.522	57%	0.569	S	S	.	*	H	α-helix	trans	-64.4	-43.4	179.2	-167.2	176.6	-174.6	-80.2	0	111.9	K40 I41 E42	K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 3.2Å; K38-I41 PolarHBondContact O-N 3.45Å; K38-E42 IonicContact NZ-OE1 3.19Å; K38-E42 PolarHBondContact NZ-OE1 3.4Å; K38-E42 WeakPolarHBondContact O-CG 3.36Å; K38-E42 PolarHBondContact O-N 2.92Å
39	K	57.6	Low	55.5	Low	150 Å²	150	113.7 Å²	113.7	65%	0.652	57%	0.572	S	S	*	*	H	α-helix	trans	-61.9	-38.5	176.4	-92.5	-170.6	171.9	-171.2	0	112.3	E42 D43	K39-E42 PolarHBondContact O-N 3.31Å; K39-D43 WeakPolarHBondContact O-CB 3.43Å; K39-D43 PolarHBondContact O-N 3.01Å
40	K	58.9	Low	55.9	Low	140 Å²	140	108.9 Å²	108.9	61%	0.609	56%	0.555	S	S	*	*	H	α-helix	trans	-69.8	-36.3	-178.1	-155	175.8	-176.7	-176.5	0	112.1	D37 K38 D44	D37-K40 PolarHBondContact O-N 3.37Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 3.2Å; K40-D44 WeakPolarHBondContact O-CB 3.36Å; K40-D44 PolarHBondContact O-N 3.18Å
41	I	60.2	Low	56.3	Low	96 Å²	96	109.6 Å²	109.6	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-70.2	-39.8	174.3	-65.4	164.1	0	0	0	110.7	D37 K38 V45	D37-I41 WeakPolarHBondContact O-CG1 3.38Å; D37-I41 PolarHBondContact O-N 3Å; D37-I41 VanDerWaalsContact O-N 3.13Å; K38-I41 PolarHBondContact O-N 3.45Å; I41-V45 HydrophobicContact CG2-CG2 4.48Å; I41-V45 WeakPolarHBondContact O-CB 3.49Å; I41-V45 WeakPolarHBondContact O-CG2 3.41Å; I41-V45 PolarHBondContact O-N 3.33Å
42	E	60.8	Low	56.6	Low	97 Å²	97	107.8 Å²	107.8	45%	0.453	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-48.2	175.5	-73.7	171.1	175.2	0	0	111.4	K38 K39 D44 V45 E46	K38-E42 IonicContact NZ-OE1 3.19Å; K38-E42 PolarHBondContact NZ-OE1 3.4Å; K38-E42 WeakPolarHBondContact O-CG 3.36Å; K38-E42 PolarHBondContact O-N 2.92Å; K39-E42 PolarHBondContact O-N 3.31Å; E42-D44 PolarHBondContact O-N 2.65Å; E42-V45 PolarHBondContact O-N 3Å; E42-E46 WeakPolarHBondContact O-CB 3.43Å; E42-E46 PolarHBondContact O-N 3.06Å
43	D	64.2	Low	56.6	Low	103 Å²	103	102.3 Å²	102.3	55%	0.551	52%	0.522	S	S	*	.	H	α-helix	trans	-60.8	-41.8	176	-81.6	7	0	0	0	112.1	K39 V45 E46 R47	K39-D43 WeakPolarHBondContact O-CB 3.43Å; K39-D43 PolarHBondContact O-N 3.01Å; D43-V45 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 3.32Å; D43-E46 PolarHBondContact O-N 3.47Å; D43-R47 VanDerWaalsContact O-CB 3.23Å; D43-R47 WeakPolarHBondContact O-CB 3.3Å; D43-R47 PolarHBondContact O-N 3.18Å
44	D	63.8	Low	56.8	Low	85 Å²	85	106.5 Å²	106.5	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-69.1	-31	178.7	-83.3	-13	0	0	0	112.2	K40 E42 M48	K40-D44 WeakPolarHBondContact O-CB 3.36Å; K40-D44 PolarHBondContact O-N 3.18Å; E42-D44 PolarHBondContact O-N 2.65Å; D44-M48 WeakPolarHBondContact O-CB 3.33Å; D44-M48 WeakPolarHBondContact O-CE 3.09Å; D44-M48 PolarHBondContact O-N 3.44Å; D44-M48 VanDerWaalsContact O-N 3.08Å
45	V	63.3	Low	57	Low	73 Å²	73	111.2 Å²	111.2	44%	0.442	55%	0.554	S	S	.	*	H	α-helix	trans	-74	-44.6	174.5	169.9	0	0	0	0	111	I41 E42 D43 R47 M48 I49	I41-V45 HydrophobicContact CG2-CG2 4.48Å; I41-V45 WeakPolarHBondContact O-CB 3.49Å; I41-V45 WeakPolarHBondContact O-CG2 3.41Å; I41-V45 PolarHBondContact O-N 3.33Å; E42-V45 PolarHBondContact O-N 3Å; D43-V45 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 3.32Å; V45-R47 VanDerWaalsContact C-N 3.33Å; V45-R47 PolarHBondContact O-N 3.28Å; V45-M48 WeakPolarHBondContact O-CB 3Å; V45-M48 PolarHBondContact O-N 2.83Å; V45-M48 VanDerWaalsContact O-N 3.14Å; V45-I49 HydrophobicContact CG1-CD1 4Å; V45-I49 WeakPolarHBondContact O-CG1 3.37Å; V45-I49 PolarHBondContact O-N 3.3Å
46	E	63.9	Low	57.1	Low	126 Å²	126	113.5 Å²	113.5	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-61.8	-43	177	-164.7	167.6	-147.6	0	0	110.6	E42 D43 M48 I49 D50	E42-E46 WeakPolarHBondContact O-CB 3.43Å; E42-E46 PolarHBondContact O-N 3.06Å; D43-E46 PolarHBondContact O-N 3.47Å; E46-M48 VanDerWaalsContact C-N 3.32Å; E46-M48 PolarHBondContact O-N 2.81Å; E46-I49 WeakPolarHBondContact O-CB 3.14Å; E46-I49 PolarHBondContact O-N 3.03Å; E46-I49 VanDerWaalsContact O-N 3.1Å; E46-D50 PolarHBondContact O-N 2.97Å
47	R	65.1	Low	56.7	Low	173 Å²	173	113.4 Å²	113.4	65%	0.653	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-34.3	173.8	-157.7	-179.4	-153.4	170	7.1	113.1	D43 V45 M51	D43-R47 VanDerWaalsContact O-CB 3.23Å; D43-R47 WeakPolarHBondContact O-CB 3.3Å; D43-R47 PolarHBondContact O-N 3.18Å; V45-R47 VanDerWaalsContact C-N 3.33Å; V45-R47 PolarHBondContact O-N 3.28Å; R47-M51 WeakPolarHBondContact O-CB 3.44Å; R47-M51 WeakPolarHBondContact O-CG 3.4Å; R47-M51 PolarHBondContact O-N 2.65Å
48	M	59.8	Low	56.2	Low	78 Å²	78	111.7 Å²	111.7	38%	0.384	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-38	172.9	-114.4	-179.9	-68.8	0	0	111.9	F9 D44 V45 E46 M51 I52	F9-M48 HydrophobicContact CZ-SD 4.14Å; D44-M48 WeakPolarHBondContact O-CB 3.33Å; D44-M48 WeakPolarHBondContact O-CE 3.09Å; D44-M48 PolarHBondContact O-N 3.44Å; D44-M48 VanDerWaalsContact O-N 3.08Å; V45-M48 WeakPolarHBondContact O-CB 3Å; V45-M48 PolarHBondContact O-N 2.83Å; V45-M48 VanDerWaalsContact O-N 3.14Å; E46-M48 VanDerWaalsContact C-N 3.32Å; E46-M48 PolarHBondContact O-N 2.81Å; M48-M51 HydrophobicContact CG-CE 3.98Å; M48-I52 VanDerWaalsContact O-CD1 3.31Å; M48-I52 WeakPolarHBondContact O-CD1 3.19Å; M48-I52 WeakPolarHBondContact O-CG1 3.23Å; M48-I52 PolarHBondContact O-N 2.78Å; M48-I52 VanDerWaalsContact O-N 3.1Å
49	I	62.2	Low	55.5	Low	93 Å²	93	111.6 Å²	111.6	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-67.5	-46	176.7	-66.8	165.8	0	0	0	110.1	V45 E46 M51 I52 D53	V45-I49 HydrophobicContact CG1-CD1 4Å; V45-I49 WeakPolarHBondContact O-CG1 3.37Å; V45-I49 PolarHBondContact O-N 3.3Å; E46-I49 WeakPolarHBondContact O-CB 3.14Å; E46-I49 PolarHBondContact O-N 3.03Å; E46-I49 VanDerWaalsContact O-N 3.1Å; I49-M51 VanDerWaalsContact C-N 3.33Å; I49-M51 PolarHBondContact O-N 3.43Å; I49-I52 WeakPolarHBondContact O-CB 3.42Å; I49-I52 PolarHBondContact O-N 2.93Å; I49-D53 PolarHBondContact O-N 3.24Å
50	D	59.5	Low	54.6	Low	96 Å²	96	108.3 Å²	108.3	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-60.9	-40.8	177	-75.1	-14.5	0	0	0	112.1	E46 I52 D53 E54	E46-D50 PolarHBondContact O-N 2.97Å; D50-I52 VanDerWaalsContact C-N 3.28Å; D50-I52 PolarHBondContact O-N 3.48Å; D50-D53 PolarHBondContact O-N 2.99Å; D50-E54 PolarHBondContact O-N 3Å
51	M	57.4	Low	53.5	Low	103 Å²	103	108.4 Å²	108.4	51%	0.507	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-31.5	174.5	-73.6	-174.5	-51.9	0	0	112.6	R47 M48 I49 E55	R47-M51 WeakPolarHBondContact O-CB 3.44Å; R47-M51 WeakPolarHBondContact O-CG 3.4Å; R47-M51 PolarHBondContact O-N 2.65Å; M48-M51 HydrophobicContact CG-CE 3.98Å; I49-M51 VanDerWaalsContact C-N 3.33Å; I49-M51 PolarHBondContact O-N 3.43Å; M51-E55 VanDerWaalsContact O-CB 3.26Å; M51-E55 WeakPolarHBondContact O-CB 2.97Å; M51-E55 PolarHBondContact O-N 3.07Å
52	I	56.2	Low	52.2	Low	70 Å²	70	112.3 Å²	112.3	36%	0.359	58%	0.575	S	S	.	*	H	α-helix	trans	-73.2	-36	176.6	-70.3	163	0	0	0	110.8	M48 I49 D50 K56	M48-I52 VanDerWaalsContact O-CD1 3.31Å; M48-I52 WeakPolarHBondContact O-CD1 3.19Å; M48-I52 WeakPolarHBondContact O-CG1 3.23Å; M48-I52 PolarHBondContact O-N 2.78Å; M48-I52 VanDerWaalsContact O-N 3.1Å; I49-I52 WeakPolarHBondContact O-CB 3.42Å; I49-I52 PolarHBondContact O-N 2.93Å; D50-I52 VanDerWaalsContact C-N 3.28Å; D50-I52 PolarHBondContact O-N 3.48Å; I52-K56 WeakPolarHBondContact O-CB 3.34Å; I52-K56 PolarHBondContact O-N 2.99Å
53	D	46.6	Very low	51.3	Low	94 Å²	94	113.8 Å²	113.8	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-70.9	-40.7	176.8	-99.1	1.7	0	0	0	112	I49 D50 F57	I49-D53 PolarHBondContact O-N 3.24Å; D50-D53 PolarHBondContact O-N 2.99Å; D53-F57 PolarHBondContact O-N 2.98Å
54	E	51.1	Low	50.1	Low	177 Å²	177	114.6 Å²	114.6	83%	0.827	60%	0.595	S	S	*	*	H	α-helix	trans	-74.5	-34.7	178.4	-79	-170.4	158.3	0	0	113.9	D50	D50-E54 PolarHBondContact O-N 3Å
55	E	48.7	Very low	49.3	Very low	177 Å²	177	113.9 Å²	113.9	83%	0.827	60%	0.595	S	S	*	*	H	α-helix	trans	-83.9	-13.5	-177.9	-152	-178.1	-176.7	0	0	112.9	M51	M51-E55 VanDerWaalsContact O-CB 3.26Å; M51-E55 WeakPolarHBondContact O-CB 2.97Å; M51-E55 PolarHBondContact O-N 3.07Å
56	K	49.3	Very low	48.4	Very low	108 Å²	108	116.7 Å²	116.7	47%	0.47	62%	0.615	S	S	.	*	H	α-helix	trans	-122.1	-11.9	-169.7	-132.2	179.2	-174.4	-166.2	0	116.3	I52	I52-K56 WeakPolarHBondContact O-CB 3.34Å; I52-K56 PolarHBondContact O-N 2.99Å
57	F	41.1	Very low	47.5	Very low	131 Å²	131	112.5 Å²	112.5	58%	0.575	61%	0.605	S	S	*	*			trans	-125.3	79.4	175.4	-61.9	-79.7	0	0	0	110.9	D53	D53-F57 PolarHBondContact O-N 2.98Å
58	G	39.2	Very low	46.8	Very low	55 Å²	55	109.4 Å²	109.4	57%	0.567	59%	0.594	S	S	*	*	S	Bend	trans	-51.3	155.9	143.1	0	0	0	0	0	109.1	S60	G58-S60 PolarHBondContact O-N 2.91Å
59	P	35.8	Very low	46.1	Very low	118 Å²	118	110.3 Å²	110.3	77%	0.766	60%	0.597	S	S	*	*	S	Bend	trans	-44.8	116.8	-170.1	19.3	-31.7	0	0	0	109.7	D61	P59-D61 PolarHBondContact O-N 3.25Å
60	S	39.6	Very low	45.4	Very low	82 Å²	82	108.3 Å²	108.3	57%	0.573	59%	0.592	S	S	*	*			trans	-64	81.2	-174.3	158	0	0	0	0	109.7	G58	G58-S60 PolarHBondContact O-N 2.91Å
61	D	34.8	Very low	44.5	Very low	142 Å²	142	110.1 Å²	110.1	76%	0.759	60%	0.601	S	S	*	*			trans	-84.2	118.3	162.6	-70.5	-27	0	0	0	107.4	P59	P59-D61 PolarHBondContact O-N 3.25Å
62	E	33.4	Very low	43.8	Very low	178 Å²	178	109.3 Å²	109.3	83%	0.832	60%	0.602	S	S	*	*			trans	60.3	84.9	167.9	-66.2	-178.1	148.6	0	0	117	D64	E62-D64 PolarHBondContact O-N 3.04Å
63	T	43	Very low	43	Very low	127 Å²	127	116.6 Å²	116.6	78%	0.779	63%	0.625	S	S	*	*			trans	-71.3	95.1	155.7	-42.7	0	0	0	0	109.5
64	D	39	Very low	42.6	Very low	121 Å²	121	121.5 Å²	121.5	65%	0.647	64%	0.638	S	S	*	*			trans	-62.9	141.6	163.3	-94.7	-33.3	0	0	0	110.2	E62	E62-D64 PolarHBondContact O-N 3.04Å
65	P	45.5	Very low	42.1	Very low	69 Å²	69	118 Å²	118	45%	0.448	62%	0.622	S	S	.	*			trans	-66	159.6	-176.8	28.5	-33.8	0	0	0	111.5	G67	P65-G67 PolarHBondContact O-N 2.92Å
66	P	45.9	Very low	41.8	Very low	133 Å²	133	111.8 Å²	111.8	86%	0.864	59%	0.592	S	S	*	*			trans	-61.9	100.1	-171.3	24.6	-33	0	0	0	111.1
67	G	45.1	Very low	41.4	Very low	37 Å²	37	108.2 Å²	108.2	38%	0.381	58%	0.577	S	S	.	*			trans	-74	125.7	168.1	0	0	0	0	0	108.8	P65 E69	P65-G67 PolarHBondContact O-N 2.92Å; G67-E69 PolarHBondContact O-N 3.35Å
68	W	50.2	Low	41.6	Very low	108 Å²	108	102.3 Å²	102.3	41%	0.409	55%	0.551	S	S	.	*			trans	-80.8	106.8	167.2	51.7	-88.6	0	0	0	107.8	R79 L101	W68-R79 HydrophobicContact CD2-CB 4.04Å; W68-R79 HydrophobicContact CD2-CG 3.99Å; W68-R79 VanDerWaalsContact CE2-CB 3.49Å; W68-R79 HydrophobicContact CE3-CG 4.22Å; W68-R79 HydrophobicContact CH2-CG 4.01Å; W68-R79 HydrophobicContact CZ2-CB 4.02Å; W68-R79 HydrophobicContact CZ2-CG 3.6Å; W68-R79 HydrophobicContact CZ3-CG 4.19Å; W68-L101 HydrophobicContact CZ2-CD1 4.47Å
69	E	44.5	Very low	42.1	Very low	98 Å²	98	101.6 Å²	101.6	46%	0.458	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	104.2	173.9	-64.2	-170.5	162.8	0	0	108.2	G67 D71 K76	G67-E69 PolarHBondContact O-N 3.35Å; E69-D71 PolarHBondContact O-N 2.82Å; E69-K76 WeakPolarHBondContact OE1-CE 3.45Å; E69-K76 IonicContact OE1-NZ 2.75Å; E69-K76 PolarHBondContact OE1-NZ 3.42Å; E69-K76 VanDerWaalsContact OE2-CE 3.23Å; E69-K76 WeakPolarHBondContact OE2-CE 3.4Å; E69-K76 IonicContact OE2-NZ 2.73Å; E69-K76 PolarHBondContact OE2-NZ 2.87Å
70	S	47.1	Very low	42.6	Very low	51 Å²	51	98 Å²	98	36%	0.357	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	99	165.2	52.4	0	0	0	0	108.6	T72	S70-T72 PolarHBondContact O-N 2.74Å
71	D	41.4	Very low	43	Very low	133 Å²	133	94.6 Å²	94.6	71%	0.711	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	96.5	176.8	-95.6	-14.2	0	0	0	110.4	E69	E69-D71 PolarHBondContact O-N 2.82Å
72	T	42.9	Very low	43.7	Very low	87 Å²	87	96.3 Å²	96.3	53%	0.534	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.7	154.8	67.3	0	0	0	0	108.7	S70 Y74 E75	S70-T72 PolarHBondContact O-N 2.74Å; T72-Y74 PolarHBondContact O-N 3.28Å; T72-E75 PolarHBondContact O-N 2.73Å; T72-E75 PolarHBondContact OG1-O 3.16Å
73	R	39.8	Very low	44.4	Very low	223 Å²	223	91.1 Å²	91.1	84%	0.842	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-11.1	-168.5	-162.1	-179.2	-157.8	-171.5	6.2	115.9
74	Y	36.9	Very low	44.9	Very low	197 Å²	197	92.1 Å²	92.1	77%	0.773	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	-2.3	-176	-63.5	-75.5	0	0	0	115.2	T72	T72-Y74 PolarHBondContact O-N 3.28Å
75	E	40.1	Very low	45.4	Very low	104 Å²	104	94.2 Å²	94.2	49%	0.486	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	107.7	175.1	-89.6	-177.9	160	0	0	108.5	T72	T72-E75 PolarHBondContact O-N 2.73Å; T72-E75 PolarHBondContact OG1-O 3.16Å
76	K	42.9	Very low	45.4	Very low	46 Å²	46	94.3 Å²	94.3	20%	0.2	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	94.9	167.8	169.8	175.3	-169.3	173.3	0	106.6	E69 I78 W119	E69-K76 WeakPolarHBondContact OE1-CE 3.45Å; E69-K76 IonicContact OE1-NZ 2.75Å; E69-K76 PolarHBondContact OE1-NZ 3.42Å; E69-K76 VanDerWaalsContact OE2-CE 3.23Å; E69-K76 WeakPolarHBondContact OE2-CE 3.4Å; E69-K76 IonicContact OE2-NZ 2.73Å; E69-K76 PolarHBondContact OE2-NZ 2.87Å; K76-I78 HydrophobicContact CD-CD1 4.41Å; K76-I78 HydrophobicContact CD-CG1 4.39Å; K76-I78 HydrophobicContact CG-CD1 4.39Å; K76-I78 HydrophobicContact CG-CG1 3.9Å; K76-I78 PolarHBondContact O-N 3.3Å; K76-W119 HydrophobicContact CB-CH2 3.75Å; K76-W119 HydrophobicContact CB-CZ2 4.49Å; K76-W119 HydrophobicContact CD-CH2 4.23Å; K76-W119 HydrophobicContact CD-CZ2 4.29Å; K76-W119 HydrophobicContact CG-CH2 3.84Å; K76-W119 HydrophobicContact CG-CZ2 4.4Å; K76-W119 WeakPolarHBondContact O-CH2 3.37Å; K76-W119 WeakPolarHBondContact O-CZ3 3.44Å
77	E	41.8	Very low	45.3	Very low	33 Å²	33	89.4 Å²	89.4	15%	0.154	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	91.8	-179.2	-158.9	178.4	-142.1	0	0	108.8	R79 K103	E77-R79 HydrophobicContact CG-CG 4.24Å; E77-R79 PolarHBondContact O-N 3.03Å; E77-R79 IonicContact OE1-NE 2.65Å; E77-R79 IonicContact OE1-NH2 3.2Å; E77-R79 IonicContact OE2-CZ 2.65Å; E77-R79 VanDerWaalsContact OE2-CZ 3.29Å; E77-R79 IonicContact OE2-NE 3.91Å; E77-R79 PolarHBondContact OE2-NE 3.01Å; E77-R79 IonicContact OE2-NH2 2.79Å; E77-R79 PolarHBondContact OE2-NH2 3.37Å; E77-K103 HydrophobicContact CG-CD 4.39Å; E77-K103 HydrophobicContact CG-CG 3.98Å; E77-K103 WeakPolarHBondContact OE1-CD 3.26Å; E77-K103 WeakPolarHBondContact OE1-CE 3.44Å; E77-K103 IonicContact OE1-NZ 3.8Å; E77-K103 PolarHBondContact OE1-NZ 3.08Å
78	I	45	Very low	45.6	Very low	6 Å²	6	96.4 Å²	96.4	3%	0.031	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.6	177.9	-55	177.4	0	0	0	107.7	K76 I80 F116 W119	K76-I78 HydrophobicContact CD-CD1 4.41Å; K76-I78 HydrophobicContact CD-CG1 4.39Å; K76-I78 HydrophobicContact CG-CD1 4.39Å; K76-I78 HydrophobicContact CG-CG1 3.9Å; K76-I78 PolarHBondContact O-N 3.3Å; I78-I80 HydrophobicContact CG2-CD1 3.68Å; I78-I80 HydrophobicContact CG2-CG1 3.78Å; I78-I80 PolarHBondContact O-N 3.05Å; I78-F116 HydrophobicContact CD1-CD1 4.31Å; I78-F116 HydrophobicContact CD1-CE1 3.69Å; I78-F116 HydrophobicContact CD1-CZ 4.3Å; I78-W119 HydrophobicContact CD1-CD2 4.28Å; I78-W119 HydrophobicContact CD1-CE3 4.32Å; I78-W119 HydrophobicContact CD1-CH2 3.95Å; I78-W119 HydrophobicContact CD1-CZ2 3.98Å; I78-W119 HydrophobicContact CD1-CZ3 4.14Å; I78-W119 HydrophobicContact CG1-CH2 4.18Å; I78-W119 HydrophobicContact CG1-CZ3 4.22Å
79	R	48.5	Very low	45.6	Very low	40 Å²	40	99.3 Å²	99.3	15%	0.151	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	88.1	177.3	-54.5	-139.5	-162	156.7	-1.3	110.4	W68 E77 L101	W68-R79 HydrophobicContact CD2-CB 4.04Å; W68-R79 HydrophobicContact CD2-CG 3.99Å; W68-R79 VanDerWaalsContact CE2-CB 3.49Å; W68-R79 HydrophobicContact CE3-CG 4.22Å; W68-R79 HydrophobicContact CH2-CG 4.01Å; W68-R79 HydrophobicContact CZ2-CB 4.02Å; W68-R79 HydrophobicContact CZ2-CG 3.6Å; W68-R79 HydrophobicContact CZ3-CG 4.19Å; E77-R79 HydrophobicContact CG-CG 4.24Å; E77-R79 PolarHBondContact O-N 3.03Å; E77-R79 IonicContact OE1-NE 2.65Å; E77-R79 IonicContact OE1-NH2 3.2Å; E77-R79 IonicContact OE2-CZ 2.65Å; E77-R79 VanDerWaalsContact OE2-CZ 3.29Å; E77-R79 IonicContact OE2-NE 3.91Å; E77-R79 PolarHBondContact OE2-NE 3.01Å; E77-R79 IonicContact OE2-NH2 2.79Å; E77-R79 PolarHBondContact OE2-NH2 3.37Å; R79-L101 HydrophobicContact CB-CB 4.48Å; R79-L101 HydrophobicContact CB-CD2 3.99Å
80	I	47	Very low	46.1	Very low	42 Å²	42	95.2 Å²	95.2	22%	0.215	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.7	173	-67.2	151.6	0	0	0	107.7	I78 K102 K104	I78-I80 HydrophobicContact CG2-CD1 3.68Å; I78-I80 HydrophobicContact CG2-CG1 3.78Å; I78-I80 PolarHBondContact O-N 3.05Å; I80-K102 PolarHBondContact O-N 3.14Å; I80-K104 HydrophobicContact CD1-CD 4.32Å
81	G	47.6	Very low	45.8	Very low	12 Å²	12	98.2 Å²	98.2	12%	0.124	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.4	174.9	0	0	0	0	0	115.2	V83 I100	G81-V83 PolarHBondContact O-N 2.89Å; G81-I100 WeakPolarHBondContact CA-O 3.16Å
82	K	49.7	Very low	46.4	Very low	177 Å²	177	99.6 Å²	99.6	77%	0.77	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	114	170.5	-72.6	-172	177.6	-176.8	0	108.2	K84	K82-K84 PolarHBondContact O-N 3.19Å
83	V	49	Very low	47.1	Very low	70 Å²	70	97.8 Å²	97.8	42%	0.424	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.2	170.5	-174.9	0	0	0	0	108	G81 K85 E97 V99	G81-V83 PolarHBondContact O-N 2.89Å; V83-K85 PolarHBondContact O-N 3.3Å; V83-E97 HydrophobicContact CG1-CB 3.92Å; V83-E97 HydrophobicContact CG1-CG 4.33Å; V83-E97 VanDerWaalsContact CG1-OE2 3.23Å; V83-E97 WeakPolarHBondContact CG1-OE2 3.33Å; V83-V99 HydrophobicContact CG2-CG2 4.11Å
84	K	52.4	Low	47.4	Very low	148 Å²	148	90.5 Å²	90.5	64%	0.643	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.2	169.6	-83	-175.9	177.2	174	0	108.2	K82 G86 R98	K82-K84 PolarHBondContact O-N 3.19Å; K84-G86 VanDerWaalsContact C-N 3.33Å; K84-G86 PolarHBondContact O-N 2.75Å; K84-R98 PolarHBondContact N-O 3.1Å; K84-R98 VanDerWaalsContact N-O 3.15Å
85	K	49.1	Very low	48	Very low	165 Å²	165	85.4 Å²	85.4	72%	0.717	44%	0.441	S	S	*	.	S	Bend	trans	-61.6	95	166	-83.8	-171.3	174.1	180	0	108.8	V83	V83-K85 PolarHBondContact O-N 3.3Å
86	G	46.2	Very low	48.4	Very low	71 Å²	71	82 Å²	82	73%	0.732	43%	0.426	S	S	*	.			trans	-171.7	9.5	179.3	0	0	0	0	0	115.2	K84	K84-G86 VanDerWaalsContact C-N 3.33Å; K84-G86 PolarHBondContact O-N 2.75Å
87	G	44	Very low	49	Very low	30 Å²	30	81.3 Å²	81.3	31%	0.309	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-88.4	145	-176	0	0	0	0	0	113.3	I96	G87-I96 CarbonylContact C-O 3.59Å; G87-I96 WeakPolarHBondContact CA-O 3.25Å
88	K	51.9	Low	49.3	Very low	184 Å²	184	85.5 Å²	85.5	80%	0.8	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-57.9	157.6	179	-64.4	173.1	178.4	177	0	111.4	G90 I96	K88-G90 PolarHBondContact O-N 3.01Å; K88-I96 PolarHBondContact O-N 2.95Å
89	F	50.3	Low	49.6	Very low	169 Å²	169	85.9 Å²	85.9	74%	0.741	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-62.8	124.2	164.3	-81	-85.1	0	0	0	109.3	G93	F89-G93 WeakPolarHBondContact CD1-O 3.36Å; F89-G93 WeakPolarHBondContact CE1-O 3.42Å
90	G	54.7	Low	49.8	Very low	11 Å²	11	85.5 Å²	85.5	11%	0.113	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-74.8	172.7	171.3	0	0	0	0	0	112	K88 E92 G93 K94	K88-G90 PolarHBondContact O-N 3.01Å; G90-E92 PolarHBondContact O-N 3.13Å; G90-G93 PolarHBondContact O-N 3Å; G90-G93 VanDerWaalsContact O-N 3.15Å; G90-K94 PolarHBondContact N-O 3.36Å
91	P	39.8	Very low	50.1	Low	114 Å²	114	84.1 Å²	84.1	74%	0.74	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	134.9	170	27.1	-30.4	0	0	0	108.1
92	E	54.3	Low	50.5	Low	163 Å²	163	86.5 Å²	86.5	76%	0.762	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	11.8	-171.8	-47.9	179.3	166.6	0	0	117	G90 K94	G90-E92 PolarHBondContact O-N 3.13Å; E92-K94 HydrophobicContact CB-CD 4.44Å; E92-K94 PolarHBondContact O-N 3.37Å; E92-K94 IonicContact OE2-NZ 2.76Å; E92-K94 PolarHBondContact OE2-NZ 3.31Å
93	G	57.6	Low	50.8	Low	49 Å²	49	81 Å²	81	51%	0.505	42%	0.417	S	S	.	.	S	Bend	trans	75	12.2	175	0	0	0	0	0	114	F89 G90	F89-G93 WeakPolarHBondContact CD1-O 3.36Å; F89-G93 WeakPolarHBondContact CE1-O 3.42Å; G90-G93 PolarHBondContact O-N 3Å; G90-G93 VanDerWaalsContact O-N 3.15Å
94	K	47.3	Very low	51.3	Low	70 Å²	70	79 Å²	79	30%	0.304	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-80.6	142.2	176.6	-70.4	166.5	175.9	162.9	0	111	G90 E92 L130 N132	G90-K94 PolarHBondContact N-O 3.36Å; E92-K94 HydrophobicContact CB-CD 4.44Å; E92-K94 PolarHBondContact O-N 3.37Å; E92-K94 IonicContact OE2-NZ 2.76Å; E92-K94 PolarHBondContact OE2-NZ 3.31Å; K94-L130 HydrophobicContact CB-CD2 4.29Å; K94-N132 VanDerWaalsContact CD-OD1 3.25Å; K94-N132 WeakPolarHBondContact CD-OD1 3.21Å; K94-N132 WeakPolarHBondContact CE-OD1 3.42Å
95	R	48.3	Very low	51.4	Low	89 Å²	89	77.5 Å²	77.5	34%	0.336	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.5	-178.3	-162.2	170.7	-176.7	-121.8	-7.2	109.3	E97 V131	R95-E97 IonicContact CZ-OE1 2.74Å; R95-E97 IonicContact NH1-OE1 3.32Å; R95-E97 PolarHBondContact NH1-OE1 3.1Å; R95-V131 PolarHBondContact O-N 3.03Å
96	I	50	Low	51.7	Low	33 Å²	33	72.2 Å²	72.2	17%	0.169	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.8	173.7	-61	169	0	0	0	107.6	G87 K88 E128 L130	G87-I96 CarbonylContact C-O 3.59Å; G87-I96 WeakPolarHBondContact CA-O 3.25Å; K88-I96 PolarHBondContact O-N 2.95Å; I96-E128 HydrophobicContact CG2-CB 3.84Å; I96-E128 HydrophobicContact CG2-CG 4.29Å; I96-L130 HydrophobicContact CD1-CD2 4.31Å; I96-L130 HydrophobicContact CG1-CD2 3.59Å
97	E	53.5	Low	51.6	Low	32 Å²	32	76 Å²	76	15%	0.15	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.2	173.1	-65.3	-163.1	149.8	0	0	110.1	V83 R95 L129 V131	V83-E97 HydrophobicContact CG1-CB 3.92Å; V83-E97 HydrophobicContact CG1-CG 4.33Å; V83-E97 VanDerWaalsContact CG1-OE2 3.23Å; V83-E97 WeakPolarHBondContact CG1-OE2 3.33Å; R95-E97 IonicContact CZ-OE1 2.74Å; R95-E97 IonicContact NH1-OE1 3.32Å; R95-E97 PolarHBondContact NH1-OE1 3.1Å; E97-L129 PolarHBondContact N-O 3.26Å; E97-L129 PolarHBondContact O-N 3.02Å; E97-V131 HydrophobicContact CB-CG2 4.11Å; E97-V131 HydrophobicContact CG-CG2 3.84Å
98	R	48.1	Very low	52	Low	120 Å²	120	77.6 Å²	77.6	45%	0.453	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.3	177.4	-161.6	178.7	-66	-164.3	-3	108.8	K84 E128	K84-R98 PolarHBondContact N-O 3.1Å; K84-R98 VanDerWaalsContact N-O 3.15Å; R98-E128 HydrophobicContact CG-CG 4.12Å; R98-E128 IonicContact CZ-OE1 2.75Å; R98-E128 IonicContact NE-OE1 3.29Å; R98-E128 PolarHBondContact NE-OE1 3.42Å; R98-E128 IonicContact NH2-OE1 3.02Å; R98-E128 PolarHBondContact NH2-OE1 3.04Å
99	V	52.1	Low	51.8	Low	14 Å²	14	78.8 Å²	78.8	9%	0.085	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.9	-176.8	-173.3	0	0	0	0	108.9	V83 L101 R127 L129	V83-V99 HydrophobicContact CG2-CG2 4.11Å; V99-L101 HydrophobicContact CG1-CD2 3.81Å; V99-L101 HydrophobicContact CG1-CG 4.33Å; V99-R127 PolarHBondContact N-O 2.95Å; V99-R127 PolarHBondContact O-N 2.73Å; V99-L129 HydrophobicContact CB-CD1 4.37Å; V99-L129 HydrophobicContact CG2-CD1 3.81Å; V99-L129 HydrophobicContact CG2-CG 4.26Å
100	I	53.4	Low	51.7	Low	33 Å²	33	76.9 Å²	76.9	17%	0.169	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	103	174.6	-56.3	176.2	0	0	0	107.3	G81 E126	G81-I100 WeakPolarHBondContact CA-O 3.16Å; I100-E126 HydrophobicContact CG1-CG 4.18Å
101	L	53.3	Low	51.4	Low	13 Å²	13	84.9 Å²	84.9	7%	0.068	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.1	178.6	-59.7	170.4	0	0	0	109.4	W68 R79 V99 E124 D125 R127	W68-L101 HydrophobicContact CZ2-CD1 4.47Å; R79-L101 HydrophobicContact CB-CB 4.48Å; R79-L101 HydrophobicContact CB-CD2 3.99Å; V99-L101 HydrophobicContact CG1-CD2 3.81Å; V99-L101 HydrophobicContact CG1-CG 4.33Å; L101-E124 CarbonylContact O-C 3.59Å; L101-E124 WeakPolarHBondContact O-CA 3.11Å; L101-D125 WeakPolarHBondContact CB-O 3.26Å; L101-D125 PolarHBondContact N-O 3.4Å; L101-D125 PolarHBondContact O-N 2.89Å; L101-R127 HydrophobicContact CD1-CB 4.47Å; L101-R127 HydrophobicContact CD1-CG 4.04Å
102	K	55.6	Low	52.1	Low	62 Å²	62	83.9 Å²	83.9	27%	0.27	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.4	171.8	-52.5	-163.1	-179.9	-154.4	0	110.8	I80 Y121 E123 E124	I80-K102 PolarHBondContact O-N 3.14Å; K102-Y121 HydrophobicContact CB-CD1 3.39Å; K102-Y121 HydrophobicContact CB-CE1 3.43Å; K102-Y121 VanDerWaalsContact CB-CE1 3.43Å; K102-Y121 HydrophobicContact CB-CG 4.48Å; K102-Y121 HydrophobicContact CD-CD1 3.72Å; K102-Y121 HydrophobicContact CD-CE1 3.55Å; K102-Y121 HydrophobicContact CD-CG 4.25Å; K102-Y121 HydrophobicContact CG-CD1 4.21Å; K102-Y121 HydrophobicContact CG-CE1 4.12Å; K102-E123 WeakPolarHBondContact CA-O 3.44Å; K102-E124 HydrophobicContact CD-CG 4.29Å; K102-E124 WeakPolarHBondContact CE-OE1 3.49Å; K102-E124 HydrophobicContact CG-CG 4.14Å; K102-E124 IonicContact NZ-OE1 2.92Å; K102-E124 PolarHBondContact NZ-OE1 3.31Å
103	K	55	Low	52.1	Low	60 Å²	60	87 Å²	87	26%	0.261	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.4	177.2	-175.3	171.5	-178.4	148.8	0	110.1	E77 T122 E123	E77-K103 HydrophobicContact CG-CD 4.39Å; E77-K103 HydrophobicContact CG-CG 3.98Å; E77-K103 WeakPolarHBondContact OE1-CD 3.26Å; E77-K103 WeakPolarHBondContact OE1-CE 3.44Å; E77-K103 IonicContact OE1-NZ 3.8Å; E77-K103 PolarHBondContact OE1-NZ 3.08Å; K103-T122 PolarHBondContact O-N 2.9Å; K103-T122 PolarHBondContact O-OG1 3.3Å; K103-T122 VanDerWaalsContact O-OG1 3.05Å; K103-E123 HydrophobicContact CB-CB 4.23Å; K103-E123 PolarHBondContact N-O 2.99Å
104	K	59.9	Low	51.9	Low	30 Å²	30	86.8 Å²	86.8	13%	0.13	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.9	173.9	-68.4	-175.7	163	-168.4	0	111.5	I80 W119 E120 Y121	I80-K104 HydrophobicContact CD1-CD 4.32Å; K104-W119 HydrophobicContact CB-CB 4.11Å; K104-W119 HydrophobicContact CB-CD2 4.28Å; K104-W119 HydrophobicContact CB-CE3 3.47Å; K104-W119 VanDerWaalsContact CB-CE3 3.47Å; K104-W119 HydrophobicContact CB-CZ3 4.19Å; K104-W119 HydrophobicContact CD-CB 3.88Å; K104-W119 HydrophobicContact CG-CB 4.4Å; K104-W119 WeakPolarHBondContact O-CZ3 3.31Å; K104-E120 WeakPolarHBondContact CA-O 3.47Å; K104-Y121 HydrophobicContact CD-CD1 4.35Å; K104-Y121 HydrophobicContact CD-CE1 3.89Å; K104-Y121 WeakPolarHBondContact CE-OH 3.42Å; K104-Y121 HydrophobicContact CG-CD1 3.51Å; K104-Y121 HydrophobicContact CG-CE1 3.5Å; K104-Y121 HydrophobicContact CG-CG 4.35Å
105	K	55	Low	52.3	Low	116 Å²	116	88.7 Å²	88.7	50%	0.504	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.1	172.1	-164.5	171.3	-176.2	163.3	0	110.1	E120 T122	K105-E120 PolarHBondContact N-O 3.38Å; K105-E120 PolarHBondContact O-N 3.48Å; K105-E120 VanDerWaalsContact O-N 3.16Å; K105-T122 HydrophobicContact CB-CG2 3.9Å
106	P	54.3	Low	52.5	Low	53 Å²	53	90 Å²	90	34%	0.344	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.1	-179.1	28.7	-33.8	0	0	0	112.1	P114 D118 W119	P106-P114 HydrophobicContact CB-CB 3.61Å; P106-P114 HydrophobicContact CB-CG 3.38Å; P106-P114 HydrophobicContact CG-CG 4.09Å; P106-D118 CarbonylContact C-O 3.57Å; P106-W119 HydrophobicContact CB-CD2 4.37Å; P106-W119 HydrophobicContact CB-CZ2 4.36Å; P106-W119 HydrophobicContact CG-CH2 4.44Å; P106-W119 HydrophobicContact CG-CZ3 4.5Å
107	F	45.8	Very low	52.8	Low	152 Å²	152	93 Å²	93	67%	0.667	47%	0.471	S	S	*	.			trans	-94.9	95.5	179.5	-143.2	-85.8	0	0	0	109	D118 E120	F107-D118 VanDerWaalsContact CB-O 3.25Å; F107-D118 WeakPolarHBondContact CB-O 3.43Å; F107-D118 PolarHBondContact N-O 2.92Å; F107-E120 WeakPolarHBondContact CE2-OE2 3.48Å
108	G	52.3	Low	53	Low	63 Å²	63	94.8 Å²	94.8	65%	0.649	48%	0.481	S	S	*	.			trans	159.4	131.5	174.8	0	0	0	0	0	114	N110	G108-N110 PolarHBondContact O-N 3.49Å
109	K	47.6	Very low	53.4	Low	209 Å²	209	90.4 Å²	90.4	91%	0.909	47%	0.465	S	S	*	.	S	Bend	trans	-80.2	11.5	179.8	-86.1	-175.7	176.7	176.5	0	114.7
110	N	47	Very low	53.7	Low	129 Å²	129	95.2 Å²	95.2	69%	0.69	49%	0.486	S	S	*	.	S	Bend	trans	-119.3	139.4	-163.6	-58.1	-2.6	0	0	0	110.6	G108 S112	G108-N110 PolarHBondContact O-N 3.49Å; N110-S112 PolarHBondContact O-N 2.89Å
111	N	49.9	Very low	53.9	Low	179 Å²	179	98.7 Å²	98.7	96%	0.957	50%	0.498	S	S	*	.	S	Bend	trans	-64	25.3	-173	-71.5	-23	0	0	0	115.9
112	S	54.8	Low	54.3	Low	93 Å²	93	101.5 Å²	101.5	65%	0.65	52%	0.516	S	S	*	.	S	Bend	trans	-96.6	144.2	174.2	-48.3	0	0	0	0	109	N110 P114	N110-S112 PolarHBondContact O-N 2.89Å; S112-P114 VanDerWaalsContact O-CD 3.26Å; S112-P114 WeakPolarHBondContact O-CD 3.23Å; S112-P114 VanDerWaalsContact O-N 3.13Å
113	R	52.6	Low	54.4	Low	227 Å²	227	104.6 Å²	104.6	86%	0.857	53%	0.531	S	S	*	.			trans	-60.1	115.2	173.2	-166.7	178.5	-168.3	-179.1	2.1	107.9
114	P	54.1	Low	54.5	Low	46 Å²	46	107.8 Å²	107.8	30%	0.299	55%	0.547	S	S	.	.			trans	-66.9	134.5	-177	24.7	-30.5	0	0	0	109.5	P106 S112 D118 W119	P106-P114 HydrophobicContact CB-CB 3.61Å; P106-P114 HydrophobicContact CB-CG 3.38Å; P106-P114 HydrophobicContact CG-CG 4.09Å; S112-P114 VanDerWaalsContact O-CD 3.26Å; S112-P114 WeakPolarHBondContact O-CD 3.23Å; S112-P114 VanDerWaalsContact O-N 3.13Å; P114-D118 HydrophobicContact CB-CB 4.34Å; P114-W119 HydrophobicContact CG-CZ2 4.08Å
115	D	55.9	Low	54.3	Low	109 Å²	109	109.5 Å²	109.5	58%	0.583	56%	0.558	S	S	*	*			trans	-71.3	155	177.3	-156.1	-10.8	0	0	0	109.4	S117 D118 W119	D115-S117 PolarHBondContact O-N 3.49Å; D115-D118 PolarHBondContact N-OD2 2.89Å; D115-D118 WeakPolarHBondContact O-CB 3.45Å; D115-D118 PolarHBondContact O-N 3.22Å; D115-W119 PolarHBondContact O-NE1 3.49Å
116	F	52.8	Low	54.3	Low	117 Å²	117	109.7 Å²	109.7	51%	0.513	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-59.3	-21.7	-175.1	-91.6	-88.4	0	0	0	113.5	I78 D118	I78-F116 HydrophobicContact CD1-CD1 4.31Å; I78-F116 HydrophobicContact CD1-CE1 3.69Å; I78-F116 HydrophobicContact CD1-CZ 4.3Å; F116-D118 VanDerWaalsContact C-N 3.29Å; F116-D118 PolarHBondContact O-N 3.45Å
117	S	55.8	Low	54.4	Low	97 Å²	97	112.6 Å²	112.6	68%	0.678	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69.1	-21.8	173.2	52.7	0	0	0	0	114.1	D115 W119	D115-S117 PolarHBondContact O-N 3.49Å; S117-W119 PolarHBondContact O-N 3.36Å
118	D	58.3	Low	54.9	Low	69 Å²	69	110.9 Å²	110.9	37%	0.369	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-90	17.8	-172.9	-56.8	-22.6	0	0	0	112.3	P106 F107 P114 D115 F116	P106-D118 CarbonylContact C-O 3.57Å; F107-D118 VanDerWaalsContact CB-O 3.25Å; F107-D118 WeakPolarHBondContact CB-O 3.43Å; F107-D118 PolarHBondContact N-O 2.92Å; P114-D118 HydrophobicContact CB-CB 4.34Å; D115-D118 PolarHBondContact N-OD2 2.89Å; D115-D118 WeakPolarHBondContact O-CB 3.45Å; D115-D118 PolarHBondContact O-N 3.22Å; F116-D118 VanDerWaalsContact C-N 3.29Å; F116-D118 PolarHBondContact O-N 3.45Å
119	W	55.5	Low	55.2	Low	27 Å²	27	112.3 Å²	112.3	10%	0.102	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.3	117.3	-171.4	-70.7	75.6	0	0	0	111.6	K76 I78 K104 P106 P114 D115 S117	K76-W119 HydrophobicContact CB-CH2 3.75Å; K76-W119 HydrophobicContact CB-CZ2 4.49Å; K76-W119 HydrophobicContact CD-CH2 4.23Å; K76-W119 HydrophobicContact CD-CZ2 4.29Å; K76-W119 HydrophobicContact CG-CH2 3.84Å; K76-W119 HydrophobicContact CG-CZ2 4.4Å; K76-W119 WeakPolarHBondContact O-CH2 3.37Å; K76-W119 WeakPolarHBondContact O-CZ3 3.44Å; I78-W119 HydrophobicContact CD1-CD2 4.28Å; I78-W119 HydrophobicContact CD1-CE3 4.32Å; I78-W119 HydrophobicContact CD1-CH2 3.95Å; I78-W119 HydrophobicContact CD1-CZ2 3.98Å; I78-W119 HydrophobicContact CD1-CZ3 4.14Å; I78-W119 HydrophobicContact CG1-CH2 4.18Å; I78-W119 HydrophobicContact CG1-CZ3 4.22Å; K104-W119 HydrophobicContact CB-CB 4.11Å; K104-W119 HydrophobicContact CB-CD2 4.28Å; K104-W119 HydrophobicContact CB-CE3 3.47Å; K104-W119 VanDerWaalsContact CB-CE3 3.47Å; K104-W119 HydrophobicContact CB-CZ3 4.19Å; K104-W119 HydrophobicContact CD-CB 3.88Å; K104-W119 HydrophobicContact CG-CB 4.4Å; K104-W119 WeakPolarHBondContact O-CZ3 3.31Å; P106-W119 HydrophobicContact CB-CD2 4.37Å; P106-W119 HydrophobicContact CB-CZ2 4.36Å; P106-W119 HydrophobicContact CG-CH2 4.44Å; P106-W119 HydrophobicContact CG-CZ3 4.5Å; P114-W119 HydrophobicContact CG-CZ2 4.08Å; D115-W119 PolarHBondContact O-NE1 3.49Å; S117-W119 PolarHBondContact O-N 3.36Å
120	E	58.3	Low	55.3	Low	115 Å²	115	107.7 Å²	107.7	54%	0.537	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.9	176.6	-163.6	169.7	-159.6	0	0	110.8	K104 K105 F107 T122	K104-E120 WeakPolarHBondContact CA-O 3.47Å; K105-E120 PolarHBondContact N-O 3.38Å; K105-E120 PolarHBondContact O-N 3.48Å; K105-E120 VanDerWaalsContact O-N 3.16Å; F107-E120 WeakPolarHBondContact CE2-OE2 3.48Å; E120-T122 PolarHBondContact O-N 3.04Å
121	Y	57.6	Low	55.7	Low	107 Å²	107	104.3 Å²	104.3	42%	0.42	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.8	173.7	-69.4	-68.6	0	0	0	109.4	K102 K104	K102-Y121 HydrophobicContact CB-CD1 3.39Å; K102-Y121 HydrophobicContact CB-CE1 3.43Å; K102-Y121 VanDerWaalsContact CB-CE1 3.43Å; K102-Y121 HydrophobicContact CB-CG 4.48Å; K102-Y121 HydrophobicContact CD-CD1 3.72Å; K102-Y121 HydrophobicContact CD-CE1 3.55Å; K102-Y121 HydrophobicContact CD-CG 4.25Å; K102-Y121 HydrophobicContact CG-CD1 4.21Å; K102-Y121 HydrophobicContact CG-CE1 4.12Å; K104-Y121 HydrophobicContact CD-CD1 4.35Å; K104-Y121 HydrophobicContact CD-CE1 3.89Å; K104-Y121 WeakPolarHBondContact CE-OH 3.42Å; K104-Y121 HydrophobicContact CG-CD1 3.51Å; K104-Y121 HydrophobicContact CG-CE1 3.5Å; K104-Y121 HydrophobicContact CG-CG 4.35Å
122	T	62	Low	55.8	Low	72 Å²	72	101.1 Å²	101.1	44%	0.442	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-35.5	-174.9	52.1	0	0	0	0	112.4	K103 K105 E120	K103-T122 PolarHBondContact O-N 2.9Å; K103-T122 PolarHBondContact O-OG1 3.3Å; K103-T122 VanDerWaalsContact O-OG1 3.05Å; K105-T122 HydrophobicContact CB-CG2 3.9Å; E120-T122 PolarHBondContact O-N 3.04Å
123	E	58.4	Low	55.7	Low	126 Å²	126	108.8 Å²	108.8	59%	0.589	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.7	-178.4	-69.2	177.9	160.2	0	0	110.6	K102 K103	K102-E123 WeakPolarHBondContact CA-O 3.44Å; K103-E123 HydrophobicContact CB-CB 4.23Å; K103-E123 PolarHBondContact N-O 2.99Å
124	E	57.1	Low	55.9	Low	127 Å²	127	102.9 Å²	102.9	59%	0.593	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.9	168.7	-60.4	-169.1	159.3	0	0	108.4	L101 K102	L101-E124 CarbonylContact O-C 3.59Å; L101-E124 WeakPolarHBondContact O-CA 3.11Å; K102-E124 HydrophobicContact CD-CG 4.29Å; K102-E124 WeakPolarHBondContact CE-OE1 3.49Å; K102-E124 HydrophobicContact CG-CG 4.14Å; K102-E124 IonicContact NZ-OE1 2.92Å; K102-E124 PolarHBondContact NZ-OE1 3.31Å
125	D	55.4	Low	56	Low	67 Å²	67	105.8 Å²	105.8	36%	0.358	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.8	-178.2	-176.7	14.2	0	0	0	109.2	L101 R127	L101-D125 WeakPolarHBondContact CB-O 3.26Å; L101-D125 PolarHBondContact N-O 3.4Å; L101-D125 PolarHBondContact O-N 2.89Å; D125-R127 IonicContact OD2-CZ 3.53Å; D125-R127 IonicContact OD2-NE 2.7Å; D125-R127 PolarHBondContact OD2-NE 3.42Å; D125-R127 IonicContact OD2-NH2 2.73Å; D125-R127 PolarHBondContact OD2-NH2 3.06Å
126	E	55.1	Low	56	Low	120 Å²	120	105.7 Å²	105.7	56%	0.561	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.9	177.5	-60.3	-161.8	163.7	0	0	110.5	I100	I100-E126 HydrophobicContact CG1-CG 4.18Å
127	R	56.8	Low	56.2	Low	114 Å²	114	105 Å²	105	43%	0.43	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.6	176.5	-60.9	-167.9	-172.7	-166.2	-4.4	111.7	V99 L101 D125	V99-R127 PolarHBondContact N-O 2.95Å; V99-R127 PolarHBondContact O-N 2.73Å; L101-R127 HydrophobicContact CD1-CB 4.47Å; L101-R127 HydrophobicContact CD1-CG 4.04Å; D125-R127 IonicContact OD2-CZ 3.53Å; D125-R127 IonicContact OD2-NE 2.7Å; D125-R127 PolarHBondContact OD2-NE 3.42Å; D125-R127 IonicContact OD2-NH2 2.73Å; D125-R127 PolarHBondContact OD2-NH2 3.06Å
128	E	55.8	Low	56.2	Low	116 Å²	116	105.5 Å²	105.5	54%	0.542	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121	169.6	-67.4	-171.1	161.7	0	0	108.6	I96 R98	I96-E128 HydrophobicContact CG2-CB 3.84Å; I96-E128 HydrophobicContact CG2-CG 4.29Å; R98-E128 HydrophobicContact CG-CG 4.12Å; R98-E128 IonicContact CZ-OE1 2.75Å; R98-E128 IonicContact NE-OE1 3.29Å; R98-E128 PolarHBondContact NE-OE1 3.42Å; R98-E128 IonicContact NH2-OE1 3.02Å; R98-E128 PolarHBondContact NH2-OE1 3.04Å
129	L	57.9	Low	56.1	Low	93 Å²	93	107.9 Å²	107.9	49%	0.487	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.7	176.8	-68.1	177.7	0	0	0	109.6	E97 V99	E97-L129 PolarHBondContact N-O 3.26Å; E97-L129 PolarHBondContact O-N 3.02Å; V99-L129 HydrophobicContact CB-CD1 4.37Å; V99-L129 HydrophobicContact CG2-CD1 3.81Å; V99-L129 HydrophobicContact CG2-CG 4.26Å
130	L	50.8	Low	56.1	Low	112 Å²	112	113.7 Å²	113.7	59%	0.586	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	118	169.9	-75.1	160.8	0	0	0	108.3	K94 I96	K94-L130 HydrophobicContact CB-CD2 4.29Å; I96-L130 HydrophobicContact CD1-CD2 4.31Å; I96-L130 HydrophobicContact CG1-CD2 3.59Å
131	V	54.9	Low	55.9	Low	58 Å²	58	113.6 Å²	113.6	35%	0.352	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.6	173.5	-174.4	0	0	0	0	107.5	R95 E97	R95-V131 PolarHBondContact O-N 3.03Å; E97-V131 HydrophobicContact CB-CG2 4.11Å; E97-V131 HydrophobicContact CG-CG2 3.84Å
132	N	50.9	Low	55.8	Low	112 Å²	112	114.2 Å²	114.2	60%	0.599	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-85.4	122.3	168.4	-65.5	-26.8	0	0	0	107.4	K94	K94-N132 VanDerWaalsContact CD-OD1 3.25Å; K94-N132 WeakPolarHBondContact CD-OD1 3.21Å; K94-N132 WeakPolarHBondContact CE-OD1 3.42Å
133	E	54.4	Low	55.2	Low	253 Å²	253	118 Å²	118	100%	1.182	57%	0.571	S	S	*	*			trans	-70.8	0	164.8	-90	-179.6	162.5	0	0	111.2

Retrieved 133 of 133 residues in 58.3 ms (Link to these results)

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