A0A077YYR1_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 98 aa.

						>A0A077YYR1_TRITR|A0A077YYR1
MLPYTMHFLAHEIREYDVEDFFKGYGKIRDINLKQGYGFVEFDDHRDASDAVHDLNGKHLLDGSRSRSFHGSTRHGWRRIPRSRQRSWLVQLSSAFAF
					

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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	49.4	Very low	52.4	Low	241 Å²	241	154.5 Å²	154.5	100%	1.187	79%	0.787	S	S	*	*				0	106	0	-64.7	-179.8	-177.2	0	0	106.4
2	L	45	Very low	52.7	Low	159 Å²	159	153 Å²	153	83%	0.832	78%	0.775	S	S	*	*			trans	-80.4	124.7	-169.4	-65.8	167.7	0	0	0	109.9	Y4	L2-Y4 PolarHBondContact O-N 3.4Å; L2-Y4 VanDerWaalsContact O-N 3.12Å
3	P	64.2	Low	53	Low	112 Å²	112	148 Å²	148	73%	0.727	75%	0.75	S	S	*	*			trans	-73.2	106	170.4	29	-29.9	0	0	0	108.8	T5	P3-T5 PolarHBondContact O-N 2.76Å; P3-T5 VanDerWaalsContact O-N 3.15Å
4	Y	56.5	Low	53.6	Low	216 Å²	216	147.9 Å²	147.9	85%	0.847	74%	0.736	S	S	*	*			trans	-58.9	104.3	159.6	-91.1	-106	0	0	0	108.6	L2	L2-Y4 PolarHBondContact O-N 3.4Å; L2-Y4 VanDerWaalsContact O-N 3.12Å
5	T	57.9	Low	54.4	Low	114 Å²	114	145.3 Å²	145.3	70%	0.699	72%	0.721	S	S	*	*			trans	-109	86	163.8	34.8	0	0	0	0	109	P3 H7	P3-T5 PolarHBondContact O-N 2.76Å; P3-T5 VanDerWaalsContact O-N 3.15Å; T5-H7 PolarHBondContact O-N 3.09Å
6	M	47.7	Very low	55.3	Low	137 Å²	137	146.9 Å²	146.9	68%	0.675	72%	0.718	S	S	*	*			trans	-68.9	104.6	157.2	-85.8	-176.8	164	0	0	107.6	F8	M6-F8 VanDerWaalsContact C-N 3.3Å; M6-F8 HydrophobicContact CB-CD2 3.7Å; M6-F8 HydrophobicContact CB-CE2 3.54Å; M6-F8 HydrophobicContact CB-CZ 4.44Å; M6-F8 HydrophobicContact CG-CE2 4.12Å; M6-F8 PolarHBondContact O-N 2.93Å; M6-F8 VanDerWaalsContact O-N 3.09Å; M6-F8 HydrophobicContact SD-CD2 4.45Å; M6-F8 HydrophobicContact SD-CE2 3.44Å; M6-F8 WeakPolarHBondContact SD-CE2 3.14Å; M6-F8 HydrophobicContact SD-CZ 3.51Å; M6-F8 VanDerWaalsContact SD-CZ 3.51Å
7	H	55.7	Low	56.1	Low	179 Å²	179	143.1 Å²	143.1	83%	0.829	70%	0.701	S	S	*	*			trans	-77.3	89.8	162.7	-85.7	-151.3	0	0	0	108	T5	T5-H7 PolarHBondContact O-N 3.09Å
8	F	51.6	Low	56.7	Low	147 Å²	147	135.7 Å²	135.7	65%	0.645	67%	0.666	S	S	*	*			trans	-65.4	123.7	166.7	-81.3	-85.7	0	0	0	109.8	M6	M6-F8 VanDerWaalsContact C-N 3.3Å; M6-F8 HydrophobicContact CB-CD2 3.7Å; M6-F8 HydrophobicContact CB-CE2 3.54Å; M6-F8 HydrophobicContact CB-CZ 4.44Å; M6-F8 HydrophobicContact CG-CE2 4.12Å; M6-F8 PolarHBondContact O-N 2.93Å; M6-F8 VanDerWaalsContact O-N 3.09Å; M6-F8 HydrophobicContact SD-CD2 4.45Å; M6-F8 HydrophobicContact SD-CE2 3.44Å; M6-F8 WeakPolarHBondContact SD-CE2 3.14Å; M6-F8 HydrophobicContact SD-CZ 3.51Å; M6-F8 VanDerWaalsContact SD-CZ 3.51Å
9	L	47.7	Very low	57.5	Low	148 Å²	148	134.4 Å²	134.4	78%	0.775	66%	0.658	S	S	*	*			trans	77.7	109.7	133.5	-54.8	170.2	0	0	0	119.3
10	A	47.4	Very low	58.2	Low	84 Å²	84	132.3 Å²	132.3	69%	0.694	65%	0.65	S	S	*	*				68.9	83.3	118.3	0	0	0	0	0	118.1
11	H	53.5	Low	58.7	Low	162 Å²	162	129.6 Å²	129.6	75%	0.75	64%	0.635	S	S	*	*			trans	-147.6	68.7	140.9	-137.7	73.8	0	0	0	110.6	I13	H11-I13 VanDerWaalsContact C-N 3.32Å; H11-I13 PolarHBondContact O-N 3.01Å
12	E	55.3	Low	59.4	Low	137 Å²	137	118.3 Å²	118.3	64%	0.64	58%	0.579	S	S	*	*			trans	-67.3	96.3	165.2	-65.9	176	90.8	0	0	107.3	R14	E12-R14 HydrophobicContact CB-CG 3.87Å; E12-R14 WeakPolarHBondContact O-CG 3.44Å; E12-R14 PolarHBondContact O-N 3.15Å; E12-R14 IonicContact OE1-NE 3.99Å; E12-R14 IonicContact OE2-CZ 3.53Å; E12-R14 IonicContact OE2-NE 3.72Å; E12-R14 IonicContact OE2-NH2 2.7Å; E12-R14 PolarHBondContact OE2-NH2 3.04Å
13	I	57.2	Low	60.4	Low	88 Å²	88	118.7 Å²	118.7	45%	0.451	57%	0.574	S	S	.	*			trans	-61.9	97.9	156.4	-62	-179.1	0	0	0	104.8	H11 V18 L33	H11-I13 VanDerWaalsContact C-N 3.32Å; H11-I13 PolarHBondContact O-N 3.01Å; I13-V18 HydrophobicContact CG2-CG2 4.09Å; I13-L33 HydrophobicContact CG2-CD2 4.19Å
14	R	61.5	Low	60.4	Low	147 Å²	147	116.6 Å²	116.6	56%	0.555	57%	0.573	S	S	*	*			trans	-81	151.2	-179.4	-65.4	-167.3	-179.6	105.2	0.8	109	E12 Y16 D17	E12-R14 HydrophobicContact CB-CG 3.87Å; E12-R14 WeakPolarHBondContact O-CG 3.44Å; E12-R14 PolarHBondContact O-N 3.15Å; E12-R14 IonicContact OE1-NE 3.99Å; E12-R14 IonicContact OE2-CZ 3.53Å; E12-R14 IonicContact OE2-NE 3.72Å; E12-R14 IonicContact OE2-NH2 2.7Å; E12-R14 PolarHBondContact OE2-NH2 3.04Å; R14-Y16 PolarHBondContact O-N 3.21Å; R14-D17 PolarHBondContact O-N 3.21Å
15	E	66.2	Low	60.7	Low	109 Å²	109	109.9 Å²	109.9	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-51.4	-30.7	171.9	-65.9	163.6	114	0	0	111.8	D17 V18 E19 I31 L33	E15-D17 PolarHBondContact O-N 3.42Å; E15-V18 PolarHBondContact O-N 3.47Å; E15-E19 WeakPolarHBondContact O-CB 3.34Å; E15-E19 PolarHBondContact O-N 2.85Å; E15-I31 HydrophobicContact CG-CG2 4.43Å; E15-L33 HydrophobicContact CB-CD1 3.89Å; E15-L33 HydrophobicContact CG-CB 3.75Å; E15-L33 HydrophobicContact CG-CD1 3.4Å; E15-L33 HydrophobicContact CG-CG 4.12Å
16	Y	67.8	Low	61	Low	171 Å²	171	105.7 Å²	105.7	67%	0.671	53%	0.525	S	S	*	.	H	α-helix	trans	-59.8	-40.9	175.7	-167.6	-90.9	0	0	0	114.6	R14 D20	R14-Y16 PolarHBondContact O-N 3.21Å; Y16-D20 WeakPolarHBondContact O-CB 3.02Å; Y16-D20 PolarHBondContact O-N 3.42Å
17	D	69	Low	61.7	Low	82 Å²	82	107.2 Å²	107.2	44%	0.439	53%	0.528	S	S	.	.	H	α-helix	trans	-69.3	-49.1	-178	-167.9	-105	0	0	0	109.4	R14 E15 E19 D20 F21	R14-D17 PolarHBondContact O-N 3.21Å; E15-D17 PolarHBondContact O-N 3.42Å; D17-E19 PolarHBondContact O-N 2.88Å; D17-D20 PolarHBondContact O-N 2.89Å; D17-F21 VanDerWaalsContact CG-CE2 3.49Å; D17-F21 WeakPolarHBondContact O-CB 3.41Å; D17-F21 WeakPolarHBondContact O-CD2 3.49Å; D17-F21 PolarHBondContact O-N 3.31Å; D17-F21 WeakPolarHBondContact OD1-CD2 3.48Å; D17-F21 WeakPolarHBondContact OD1-CE2 3.33Å
18	V	67.2	Low	62.4	Low	9 Å²	9	100.8 Å²	100.8	6%	0.055	50%	0.5	C	S	.	.	H	α-helix	trans	-56.2	-48.4	172.7	158.4	0	0	0	0	111.1	I13 E15 F21 F22 I31 L33 V40	I13-V18 HydrophobicContact CG2-CG2 4.09Å; E15-V18 PolarHBondContact O-N 3.47Å; V18-F21 PolarHBondContact O-N 2.92Å; V18-F22 HydrophobicContact CB-CD2 4.24Å; V18-F22 HydrophobicContact CB-CE2 4.26Å; V18-F22 HydrophobicContact CG1-CD2 3.52Å; V18-F22 HydrophobicContact CG1-CE2 3.61Å; V18-F22 HydrophobicContact CG2-CE2 4.39Å; V18-F22 VanDerWaalsContact O-CB 3.29Å; V18-F22 WeakPolarHBondContact O-CB 3.48Å; V18-F22 WeakPolarHBondContact O-CD2 3.17Å; V18-F22 WeakPolarHBondContact O-CG 3.23Å; V18-F22 PolarHBondContact O-N 3.48Å; V18-I31 HydrophobicContact CG1-CD1 4Å; V18-I31 HydrophobicContact CG1-CG1 4.25Å; V18-I31 HydrophobicContact CG1-CG2 3.47Å; V18-I31 VanDerWaalsContact CG1-CG2 3.47Å; V18-L33 HydrophobicContact CB-CD1 3.99Å; V18-L33 HydrophobicContact CG1-CD1 4.17Å; V18-L33 HydrophobicContact CG2-CD1 3.91Å; V18-L33 HydrophobicContact CG2-CD2 4.48Å; V18-V40 HydrophobicContact CG1-CG2 3.9Å
19	E	71.5	Confident	63.4	Low	111 Å²	111	99.8 Å²	99.8	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-43.4	178.8	-171.3	175.7	100.5	0	0	112.4	E15 D17 F22 K23 I31	E15-E19 WeakPolarHBondContact O-CB 3.34Å; E15-E19 PolarHBondContact O-N 2.85Å; D17-E19 PolarHBondContact O-N 2.88Å; E19-F22 PolarHBondContact O-N 3.44Å; E19-K23 VanDerWaalsContact O-CB 3.23Å; E19-K23 WeakPolarHBondContact O-CB 3.17Å; E19-K23 PolarHBondContact O-N 3.45Å; E19-I31 HydrophobicContact CB-CD1 3.87Å; E19-I31 HydrophobicContact CG-CD1 4.23Å
20	D	71.6	Confident	64.4	Low	93 Å²	93	97.1 Å²	97.1	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-65.6	-43.4	177.3	-169.1	-104.7	0	0	0	111.7	Y16 D17 K23	Y16-D20 WeakPolarHBondContact O-CB 3.02Å; Y16-D20 PolarHBondContact O-N 3.42Å; D17-D20 PolarHBondContact O-N 2.89Å; D20-K23 WeakPolarHBondContact O-CB 3.47Å
21	F	67.9	Low	65.4	Low	75 Å²	75	94.7 Å²	94.7	33%	0.329	45%	0.453	S	S	.	.	H	α-helix	trans	-60.8	-50.5	174.6	-83.4	-65.2	0	0	0	111.2	D17 V18 K23 G24 Y25	D17-F21 VanDerWaalsContact CG-CE2 3.49Å; D17-F21 WeakPolarHBondContact O-CB 3.41Å; D17-F21 WeakPolarHBondContact O-CD2 3.49Å; D17-F21 PolarHBondContact O-N 3.31Å; D17-F21 WeakPolarHBondContact OD1-CD2 3.48Å; D17-F21 WeakPolarHBondContact OD1-CE2 3.33Å; V18-F21 PolarHBondContact O-N 2.92Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 2.96Å; F21-G24 PolarHBondContact O-N 2.89Å; F21-Y25 WeakPolarHBondContact O-CD2 3.4Å
22	F	65.4	Low	66.3	Low	4 Å²	4	90.2 Å²	90.2	2%	0.018	44%	0.435	C	S	.	.	H	α-helix	trans	-76.5	-18.3	-174.9	-70.8	-56	0	0	0	113.9	V18 E19 G24 Y25 G26 I28 V40 F42 A51 L55	V18-F22 HydrophobicContact CB-CD2 4.24Å; V18-F22 HydrophobicContact CB-CE2 4.26Å; V18-F22 HydrophobicContact CG1-CD2 3.52Å; V18-F22 HydrophobicContact CG1-CE2 3.61Å; V18-F22 HydrophobicContact CG2-CE2 4.39Å; V18-F22 VanDerWaalsContact O-CB 3.29Å; V18-F22 WeakPolarHBondContact O-CB 3.48Å; V18-F22 WeakPolarHBondContact O-CD2 3.17Å; V18-F22 WeakPolarHBondContact O-CG 3.23Å; V18-F22 PolarHBondContact O-N 3.48Å; E19-F22 PolarHBondContact O-N 3.44Å; F22-G24 PolarHBondContact O-N 2.7Å; F22-Y25 PolarHBondContact O-N 2.89Å; F22-G26 PolarHBondContact O-N 2.87Å; F22-G26 VanDerWaalsContact O-N 3.14Å; F22-G26 VanDerWaalsContact O-O 3.13Å; F22-I28 HydrophobicContact CB-CD1 3.14Å; F22-I28 HydrophobicContact CB-CG1 3.57Å; F22-I28 HydrophobicContact CD2-CD1 4.47Å; F22-I28 HydrophobicContact CG-CD1 4.14Å; F22-I28 HydrophobicContact CG-CG1 4.45Å; F22-V40 HydrophobicContact CD2-CG1 3.99Å; F22-V40 HydrophobicContact CD2-CG2 4.17Å; F22-V40 HydrophobicContact CE2-CB 4.32Å; F22-V40 HydrophobicContact CE2-CG1 4.11Å; F22-V40 HydrophobicContact CE2-CG2 3.64Å; F22-V40 HydrophobicContact CG-CG1 4.39Å; F22-V40 HydrophobicContact CZ-CG1 4.48Å; F22-V40 HydrophobicContact CZ-CG2 4.2Å; F22-F42 HydrophobicContact CB-CE1 4.39Å; F22-F42 AromaticContact CD1-CE1 3.63Å; F22-F42 HydrophobicContact CD1-CE1 3.63Å; F22-F42 HydrophobicContact CD1-CE2 4.5Å; F22-F42 AromaticContact CD1-CZ 3.28Å; F22-F42 HydrophobicContact CD1-CZ 3.28Å; F22-F42 HydrophobicContact CD2-CZ 4.45Å; F22-F42 HydrophobicContact CE1-CE1 4.17Å; F22-F42 HydrophobicContact CE1-CE2 4.3Å; F22-F42 AromaticContact CE1-CZ 3.38Å; F22-F42 HydrophobicContact CE1-CZ 3.38Å; F22-F42 HydrophobicContact CG-CE1 4.14Å; F22-F42 AromaticContact CG-CZ 3.87Å; F22-F42 HydrophobicContact CG-CZ 3.87Å; F22-F42 HydrophobicContact CZ-CZ 4.04Å; F22-A51 HydrophobicContact CD1-CB 3.46Å; F22-A51 VanDerWaalsContact CD1-CB 3.46Å; F22-A51 HydrophobicContact CE1-CB 3.3Å; F22-L55 HydrophobicContact CZ-CD2 3.97Å
23	K	64.9	Low	66.7	Low	168 Å²	168	85.6 Å²	85.6	73%	0.73	41%	0.414	S	S	*	.	H	α-helix	trans	-59	-25.2	168.1	-172.1	176.3	-178.8	-178.1	0	112.7	E19 D20 F21	E19-K23 VanDerWaalsContact O-CB 3.23Å; E19-K23 WeakPolarHBondContact O-CB 3.17Å; E19-K23 PolarHBondContact O-N 3.45Å; D20-K23 WeakPolarHBondContact O-CB 3.47Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 2.96Å
24	G	65.8	Low	67	Low	68 Å²	68	87.7 Å²	87.7	70%	0.701	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-22.8	173.9	0	0	0	0	0	115	F21 F22	F21-G24 PolarHBondContact O-N 2.89Å; F22-G24 PolarHBondContact O-N 2.7Å
25	Y	62.8	Low	66.8	Low	75 Å²	75	90.5 Å²	90.5	29%	0.294	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-23.7	-171.2	-67.1	-86.3	0	0	0	114.5	F21 F22 D47 A51 D54	F21-Y25 WeakPolarHBondContact O-CD2 3.4Å; F22-Y25 PolarHBondContact O-N 2.89Å; Y25-D47 WeakPolarHBondContact O-CB 3.3Å; Y25-A51 HydrophobicContact CD1-CB 4.18Å; Y25-A51 HydrophobicContact CD2-CB 4.17Å; Y25-A51 HydrophobicContact CG-CB 3.71Å; Y25-D54 HydrophobicContact CE1-CB 3.87Å; Y25-D54 PolarHBondContact OH-OD1 2.92Å; Y25-D54 PolarHBondContact OH-OD2 2.98Å
26	G	62.3	Low	66.1	Low	25 Å²	25	88 Å²	88	26%	0.258	44%	0.443	S	S	.	.			trans	162	-178.8	177.2	0	0	0	0	0	114.3	F22 I28	F22-G26 PolarHBondContact O-N 2.87Å; F22-G26 VanDerWaalsContact O-N 3.14Å; F22-G26 VanDerWaalsContact O-O 3.13Å; G26-I28 PolarHBondContact O-N 3.17Å
27	K	64.1	Low	65.6	Low	169 Å²	169	84.2 Å²	84.2	74%	0.735	43%	0.428	S	S	*	.			trans	-75.5	112.4	177.1	-70.5	-176.7	-178.8	179.1	0	110.3	D43	K27-D43 HydrophobicContact CB-CB 4.44Å; K27-D43 PolarHBondContact O-N 3.12Å; K27-D43 VanDerWaalsContact O-N 3.11Å
28	I	70.1	Confident	65.5	Low	45 Å²	45	80.5 Å²	80.5	23%	0.231	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	134.3	171.6	-43.3	160.5	0	0	0	108.2	F22 G26 I31 V40 E41 F42	F22-I28 HydrophobicContact CB-CD1 3.14Å; F22-I28 HydrophobicContact CB-CG1 3.57Å; F22-I28 HydrophobicContact CD2-CD1 4.47Å; F22-I28 HydrophobicContact CG-CD1 4.14Å; F22-I28 HydrophobicContact CG-CG1 4.45Å; G26-I28 PolarHBondContact O-N 3.17Å; I28-I31 HydrophobicContact CD1-CD1 3.58Å; I28-I31 HydrophobicContact CD1-CG1 4.19Å; I28-I31 HydrophobicContact CG2-CD1 4.16Å; I28-I31 HydrophobicContact CG2-CG1 3.56Å; I28-V40 HydrophobicContact CG2-CG1 3.54Å; I28-E41 VanDerWaalsContact CG2-O 3.24Å; I28-E41 WeakPolarHBondContact CG2-O 3.38Å; I28-F42 HydrophobicContact CG1-CE1 4.29Å
29	R	71.9	Confident	65.5	Low	126 Å²	126	82.4 Å²	82.4	48%	0.475	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-39.7	175.4	-172.5	179.2	-73.5	146.5	4.6	111.8	E41 D43	R29-E41 WeakPolarHBondContact CA-O 3.43Å; R29-E41 HydrophobicContact CB-CB 4.33Å; R29-E41 HydrophobicContact CB-CG 4.12Å; R29-E41 WeakPolarHBondContact CB-O 3.18Å; R29-E41 WeakPolarHBondContact CD-OE1 3.42Å; R29-E41 PolarHBondContact N-O 2.91Å; R29-E41 IonicContact NH1-OE1 2.7Å; R29-D43 IonicContact CZ-OD2 3.57Å; R29-D43 IonicContact NE-OD2 3.95Å; R29-D43 IonicContact NH2-OD2 3.52Å; R29-D43 PolarHBondContact NH2-OD2 3.02Å
30	D	69	Low	65.4	Low	92 Å²	92	77.6 Å²	77.6	49%	0.492	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	142.9	178.9	-157.6	-102.6	0	0	0	111	E41	D30-E41 HydrophobicContact CB-CB 3.89Å; D30-E41 PolarHBondContact N-O 3.5Å; D30-E41 PolarHBondContact O-N 2.96Å
31	I	69.4	Low	65.3	Low	32 Å²	32	75.1 Å²	75.1	16%	0.164	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	172.7	-58.4	169.2	0	0	0	106.9	E15 V18 E19 I28 L33 F39 V40	E15-I31 HydrophobicContact CG-CG2 4.43Å; V18-I31 HydrophobicContact CG1-CD1 4Å; V18-I31 HydrophobicContact CG1-CG1 4.25Å; V18-I31 HydrophobicContact CG1-CG2 3.47Å; V18-I31 VanDerWaalsContact CG1-CG2 3.47Å; E19-I31 HydrophobicContact CB-CD1 3.87Å; E19-I31 HydrophobicContact CG-CD1 4.23Å; I28-I31 HydrophobicContact CD1-CD1 3.58Å; I28-I31 HydrophobicContact CD1-CG1 4.19Å; I28-I31 HydrophobicContact CG2-CD1 4.16Å; I28-I31 HydrophobicContact CG2-CG1 3.56Å; I31-L33 HydrophobicContact CG2-CD1 4Å; I31-L33 HydrophobicContact CG2-CG 4.37Å; I31-F39 CarbonylContact C-O 3.5Å; I31-V40 HydrophobicContact CG1-CG1 4.35Å
32	N	70.4	Confident	65.4	Low	69 Å²	69	72 Å²	72	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	96.5	178.8	-171.9	-13.7	0	0	0	109.9	G38 F39	N32-G38 CarbonylContact O-C 3.6Å; N32-G38 WeakPolarHBondContact O-CA 2.91Å; N32-F39 HydrophobicContact CB-CB 4.29Å; N32-F39 PolarHBondContact N-O 2.95Å; N32-F39 PolarHBondContact O-N 3.15Å
33	L	65.2	Low	65.7	Low	39 Å²	39	76.6 Å²	76.6	20%	0.204	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.2	175.6	-80	150.8	0	0	0	110.9	I13 E15 V18 I31	I13-L33 HydrophobicContact CG2-CD2 4.19Å; E15-L33 HydrophobicContact CB-CD1 3.89Å; E15-L33 HydrophobicContact CG-CB 3.75Å; E15-L33 HydrophobicContact CG-CD1 3.4Å; E15-L33 HydrophobicContact CG-CG 4.12Å; V18-L33 HydrophobicContact CB-CD1 3.99Å; V18-L33 HydrophobicContact CG1-CD1 4.17Å; V18-L33 HydrophobicContact CG2-CD1 3.91Å; V18-L33 HydrophobicContact CG2-CD2 4.48Å; I31-L33 HydrophobicContact CG2-CD1 4Å; I31-L33 HydrophobicContact CG2-CG 4.37Å
34	K	63.4	Low	65.8	Low	132 Å²	132	70.8 Å²	70.8	57%	0.574	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	158.3	170.2	-69.9	179.1	177.7	-72.7	0	109.3	G36 Y37	K34-G36 PolarHBondContact O-N 3.38Å; K34-Y37 CarbonylContact C-O 3.6Å; K34-Y37 WeakPolarHBondContact CA-O 3.18Å; K34-Y37 WeakPolarHBondContact CB-O 3.29Å; K34-Y37 PolarHBondContact N-O 3.23Å; K34-Y37 PolarHBondContact O-N 3.04Å; K34-Y37 VanDerWaalsContact O-O 3.05Å
35	Q	55.9	Low	65.7	Low	206 Å²	206	71.8 Å²	71.8	96%	0.963	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	97.9	174.1	-66.2	178.5	-5.8	0	0	110
36	G	53.1	Low	65.9	Low	57 Å²	57	76.2 Å²	76.2	59%	0.588	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-3.8	-178.5	0	0	0	0	0	117	K34	K34-G36 PolarHBondContact O-N 3.38Å
37	Y	57.3	Low	66.1	Low	91 Å²	91	77.6 Å²	77.6	36%	0.357	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	129.3	-176.8	-56.9	-79.8	0	0	0	112.4	K34 L92 S93 S94	K34-Y37 CarbonylContact C-O 3.6Å; K34-Y37 WeakPolarHBondContact CA-O 3.18Å; K34-Y37 WeakPolarHBondContact CB-O 3.29Å; K34-Y37 PolarHBondContact N-O 3.23Å; K34-Y37 PolarHBondContact O-N 3.04Å; K34-Y37 VanDerWaalsContact O-O 3.05Å; Y37-L92 WeakPolarHBondContact CD1-O 3.33Å; Y37-S93 VanDerWaalsContact CD1-CA 3.45Å; Y37-S93 WeakPolarHBondContact CE1-OG 3.45Å; Y37-S94 WeakPolarHBondContact OH-CB 3.44Å
38	G	65.3	Low	66.1	Low	4 Å²	4	70 Å²	70	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147	169	0	0	0	0	0	112.9	N32 L92	N32-G38 CarbonylContact O-C 3.6Å; N32-G38 WeakPolarHBondContact O-CA 2.91Å; G38-L92 WeakPolarHBondContact O-CB 2.92Å; G38-L92 VanDerWaalsContact O-CD1 3.3Å; G38-L92 WeakPolarHBondContact O-CD1 3.31Å; G38-L92 VanDerWaalsContact O-CG 3.3Å; G38-L92 WeakPolarHBondContact O-CG 3.36Å; G38-L92 PolarHBondContact O-N 2.57Å
39	F	67.1	Low	65.8	Low	50 Å²	50	71.3 Å²	71.3	22%	0.219	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.6	164.5	-62.4	-89.9	0	0	0	108	I31 N32 L89 V90 Q91	I31-F39 CarbonylContact C-O 3.5Å; N32-F39 HydrophobicContact CB-CB 4.29Å; N32-F39 PolarHBondContact N-O 2.95Å; N32-F39 PolarHBondContact O-N 3.15Å; F39-L89 HydrophobicContact CB-CD2 4.46Å; F39-L89 HydrophobicContact CD1-CB 4.34Å; F39-L89 HydrophobicContact CD1-CD2 4.33Å; F39-V90 WeakPolarHBondContact CD1-O 3.16Å; F39-Q91 HydrophobicContact CE1-CB 4.01Å; F39-Q91 HydrophobicContact CE1-CG 4.2Å; F39-Q91 HydrophobicContact CZ-CG 4.22Å
40	V	69.8	Low	65.6	Low	9 Å²	9	70 Å²	70	6%	0.055	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118	174.9	-172.3	0	0	0	0	107	V18 F22 I28 I31 F42	V18-V40 HydrophobicContact CG1-CG2 3.9Å; F22-V40 HydrophobicContact CD2-CG1 3.99Å; F22-V40 HydrophobicContact CD2-CG2 4.17Å; F22-V40 HydrophobicContact CE2-CB 4.32Å; F22-V40 HydrophobicContact CE2-CG1 4.11Å; F22-V40 HydrophobicContact CE2-CG2 3.64Å; F22-V40 HydrophobicContact CG-CG1 4.39Å; F22-V40 HydrophobicContact CZ-CG1 4.48Å; F22-V40 HydrophobicContact CZ-CG2 4.2Å; I28-V40 HydrophobicContact CG2-CG1 3.54Å; I31-V40 HydrophobicContact CG1-CG1 4.35Å; V40-F42 HydrophobicContact CB-CD2 4.48Å; V40-F42 HydrophobicContact CB-CE2 3.74Å; V40-F42 HydrophobicContact CB-CZ 4.22Å; V40-F42 HydrophobicContact CG1-CD2 3.97Å; V40-F42 HydrophobicContact CG1-CE1 4.21Å; V40-F42 HydrophobicContact CG1-CE2 3.3Å; V40-F42 HydrophobicContact CG1-CZ 3.41Å; V40-F42 VanDerWaalsContact CG1-CZ 3.41Å
41	E	70	Confident	65.5	Low	42 Å²	42	65.7 Å²	65.7	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.7	175.8	-167.8	170.7	107.2	0	0	107.7	I28 R29 D30 S87	I28-E41 VanDerWaalsContact CG2-O 3.24Å; I28-E41 WeakPolarHBondContact CG2-O 3.38Å; R29-E41 WeakPolarHBondContact CA-O 3.43Å; R29-E41 HydrophobicContact CB-CB 4.33Å; R29-E41 HydrophobicContact CB-CG 4.12Å; R29-E41 WeakPolarHBondContact CB-O 3.18Å; R29-E41 WeakPolarHBondContact CD-OE1 3.42Å; R29-E41 PolarHBondContact N-O 2.91Å; R29-E41 IonicContact NH1-OE1 2.7Å; D30-E41 HydrophobicContact CB-CB 3.89Å; D30-E41 PolarHBondContact N-O 3.5Å; D30-E41 PolarHBondContact O-N 2.96Å; E41-S87 PolarHBondContact OE2-OG 2.9Å
42	F	70.8	Confident	65.2	Low	9 Å²	9	66.4 Å²	66.4	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	151.6	177.1	-68.4	-94.7	0	0	0	111	F22 I28 V40 D44 A48 A51	F22-F42 HydrophobicContact CB-CE1 4.39Å; F22-F42 AromaticContact CD1-CE1 3.63Å; F22-F42 HydrophobicContact CD1-CE1 3.63Å; F22-F42 HydrophobicContact CD1-CE2 4.5Å; F22-F42 AromaticContact CD1-CZ 3.28Å; F22-F42 HydrophobicContact CD1-CZ 3.28Å; F22-F42 HydrophobicContact CD2-CZ 4.45Å; F22-F42 HydrophobicContact CE1-CE1 4.17Å; F22-F42 HydrophobicContact CE1-CE2 4.3Å; F22-F42 AromaticContact CE1-CZ 3.38Å; F22-F42 HydrophobicContact CE1-CZ 3.38Å; F22-F42 HydrophobicContact CG-CE1 4.14Å; F22-F42 AromaticContact CG-CZ 3.87Å; F22-F42 HydrophobicContact CG-CZ 3.87Å; F22-F42 HydrophobicContact CZ-CZ 4.04Å; I28-F42 HydrophobicContact CG1-CE1 4.29Å; V40-F42 HydrophobicContact CB-CD2 4.48Å; V40-F42 HydrophobicContact CB-CE2 3.74Å; V40-F42 HydrophobicContact CB-CZ 4.22Å; V40-F42 HydrophobicContact CG1-CD2 3.97Å; V40-F42 HydrophobicContact CG1-CE1 4.21Å; V40-F42 HydrophobicContact CG1-CE2 3.3Å; V40-F42 HydrophobicContact CG1-CZ 3.41Å; V40-F42 VanDerWaalsContact CG1-CZ 3.41Å; F42-D44 WeakPolarHBondContact CB-O 3.49Å; F42-A48 HydrophobicContact CB-CB 3.61Å; F42-A48 HydrophobicContact CD1-CB 4.33Å; F42-A48 VanDerWaalsContact CD2-CA 3.49Å; F42-A48 HydrophobicContact CD2-CB 3.29Å; F42-A48 HydrophobicContact CE2-CB 4.01Å; F42-A48 HydrophobicContact CG-CB 3.48Å; F42-A48 VanDerWaalsContact CG-CB 3.48Å; F42-A51 HydrophobicContact CE1-CB 4.11Å; F42-A51 HydrophobicContact CZ-CB 3.98Å
43	D	70.2	Confident	64.8	Low	100 Å²	100	69.8 Å²	69.8	54%	0.535	35%	0.353	S	S	.	.	S	Bend	trans	-71.9	-39.3	171.7	-165.8	-116.6	0	0	0	111.8	K27 R29	K27-D43 HydrophobicContact CB-CB 4.44Å; K27-D43 PolarHBondContact O-N 3.12Å; K27-D43 VanDerWaalsContact O-N 3.11Å; R29-D43 IonicContact CZ-OD2 3.57Å; R29-D43 IonicContact NE-OD2 3.95Å; R29-D43 IonicContact NH2-OD2 3.52Å; R29-D43 PolarHBondContact NH2-OD2 3.02Å
44	D	67.4	Low	64.8	Low	46 Å²	46	70.3 Å²	70.3	25%	0.246	36%	0.356	C	S	.	.	S	Bend	trans	-108	128.9	177.5	-156.7	-54	0	0	0	110.8	F42 R46 D47 A48	F42-D44 WeakPolarHBondContact CB-O 3.49Å; D44-R46 PolarHBondContact O-N 3.14Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.39Å; D44-R46 IonicContact OD1-CZ 3.88Å; D44-R46 PolarHBondContact OD1-N 3.26Å; D44-R46 IonicContact OD1-NE 3.05Å; D44-R46 PolarHBondContact OD1-NE 3.44Å; D44-R46 IonicContact OD1-NH2 3.79Å; D44-R46 IonicContact OD2-CZ 3.61Å; D44-R46 IonicContact OD2-NE 3.54Å; D44-R46 IonicContact OD2-NH2 2.81Å; D44-R46 PolarHBondContact OD2-NH2 2.93Å; D44-D47 HydrophobicContact CB-CB 4.27Å; D44-A48 PolarHBondContact O-N 3Å; D44-A48 VanDerWaalsContact O-N 3.14Å
45	H	64	Low	64.7	Low	90 Å²	90	67.6 Å²	67.6	42%	0.417	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-28.2	176.5	168.5	-90.8	0	0	0	112.3	S49 W88	H45-S49 PolarHBondContact O-N 2.76Å; H45-W88 HydrophobicContact CB-CZ2 4.5Å; H45-W88 AromaticContact CD2-CD2 3.61Å; H45-W88 AromaticContact CD2-CE2 3.46Å; H45-W88 VanDerWaalsContact CD2-CE2 3.46Å; H45-W88 AromaticContact CD2-CE3 3.59Å; H45-W88 AromaticContact CD2-CH2 3.31Å; H45-W88 WeakPolarHBondContact CD2-CH2 3.13Å; H45-W88 AromaticContact CD2-CZ2 3.33Å; H45-W88 WeakPolarHBondContact CD2-CZ2 3.42Å; H45-W88 AromaticContact CD2-CZ3 3.44Å; H45-W88 VanDerWaalsContact CD2-CZ3 3.44Å; H45-W88 WeakPolarHBondContact CD2-CZ3 3.27Å; H45-W88 AromaticContact CG-CZ2 3.99Å; H45-W88 AromaticContact NE2-CH2 3.36Å; H45-W88 WeakPolarHBondContact NE2-CH2 3.34Å; H45-W88 AromaticContact NE2-CZ2 3.87Å; H45-W88 AromaticContact NE2-CZ3 3.45Å; H45-W88 WeakPolarHBondContact NE2-CZ3 3.22Å
46	R	67.9	Low	64.6	Low	167 Å²	167	62.6 Å²	62.6	63%	0.63	33%	0.327	S	S	*	.	H	α-helix	trans	-71	-50.3	-179.3	-64.1	172.2	-70.4	176.2	2.8	110.2	D44 A48 S49 D50	D44-R46 PolarHBondContact O-N 3.14Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.39Å; D44-R46 IonicContact OD1-CZ 3.88Å; D44-R46 PolarHBondContact OD1-N 3.26Å; D44-R46 IonicContact OD1-NE 3.05Å; D44-R46 PolarHBondContact OD1-NE 3.44Å; D44-R46 IonicContact OD1-NH2 3.79Å; D44-R46 IonicContact OD2-CZ 3.61Å; D44-R46 IonicContact OD2-NE 3.54Å; D44-R46 IonicContact OD2-NH2 2.81Å; D44-R46 PolarHBondContact OD2-NH2 2.93Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 3Å; R46-S49 WeakPolarHBondContact O-CB 3.09Å; R46-S49 PolarHBondContact O-N 3.04Å; R46-S49 VanDerWaalsContact O-N 3.08Å; R46-D50 PolarHBondContact O-N 2.91Å
47	D	65.9	Low	64.5	Low	55 Å²	55	62.3 Å²	62.3	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-37.9	177	-61.4	-19.5	0	0	0	111.6	Y25 D44 S49 D50 A51	Y25-D47 WeakPolarHBondContact O-CB 3.3Å; D44-D47 HydrophobicContact CB-CB 4.27Å; D47-S49 VanDerWaalsContact C-N 3.33Å; D47-S49 PolarHBondContact O-N 3.46Å; D47-D50 PolarHBondContact O-N 3.06Å; D47-A51 WeakPolarHBondContact O-CB 3.24Å; D47-A51 PolarHBondContact O-N 3.08Å
48	A	64	Low	64.2	Low	10 Å²	10	64.1 Å²	64.1	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-44.7	174.2	0	0	0	0	0	112.6	F42 D44 R46 V52	F42-A48 HydrophobicContact CB-CB 3.61Å; F42-A48 HydrophobicContact CD1-CB 4.33Å; F42-A48 VanDerWaalsContact CD2-CA 3.49Å; F42-A48 HydrophobicContact CD2-CB 3.29Å; F42-A48 HydrophobicContact CE2-CB 4.01Å; F42-A48 HydrophobicContact CG-CB 3.48Å; F42-A48 VanDerWaalsContact CG-CB 3.48Å; D44-A48 PolarHBondContact O-N 3Å; D44-A48 VanDerWaalsContact O-N 3.14Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 3Å; A48-V52 WeakPolarHBondContact O-CB 3.28Å; A48-V52 WeakPolarHBondContact O-CG2 3.38Å; A48-V52 PolarHBondContact O-N 3.38Å
49	S	64.7	Low	63.3	Low	71 Å²	71	72.4 Å²	72.4	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-69.1	-43.1	-177.5	-171.3	0	0	0	0	111	H45 R46 D47 H53	H45-S49 PolarHBondContact O-N 2.76Å; R46-S49 WeakPolarHBondContact O-CB 3.09Å; R46-S49 PolarHBondContact O-N 3.04Å; R46-S49 VanDerWaalsContact O-N 3.08Å; D47-S49 VanDerWaalsContact C-N 3.33Å; D47-S49 PolarHBondContact O-N 3.46Å; S49-H53 VanDerWaalsContact O-CB 3.27Å; S49-H53 WeakPolarHBondContact O-CB 3.49Å; S49-H53 PolarHBondContact O-N 3.25Å
50	D	66.9	Low	62.2	Low	100 Å²	100	77.5 Å²	77.5	54%	0.535	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-42.5	177	-76.5	-60.1	0	0	0	111.4	R46 D47 H53 D54	R46-D50 PolarHBondContact O-N 2.91Å; D47-D50 PolarHBondContact O-N 3.06Å; D50-H53 WeakPolarHBondContact O-CB 3.46Å; D50-H53 PolarHBondContact O-N 3.38Å; D50-H53 VanDerWaalsContact O-N 3.17Å; D50-D54 PolarHBondContact O-N 2.71Å
51	A	66.3	Low	60.7	Low	1 Å²	1	83.9 Å²	83.9	1%	0.008	43%	0.433	C	S	.	.	H	α-helix	trans	-71.9	-36.6	-177.4	0	0	0	0	0	112.7	F22 Y25 F42 D47 H53 L55	F22-A51 HydrophobicContact CD1-CB 3.46Å; F22-A51 VanDerWaalsContact CD1-CB 3.46Å; F22-A51 HydrophobicContact CE1-CB 3.3Å; Y25-A51 HydrophobicContact CD1-CB 4.18Å; Y25-A51 HydrophobicContact CD2-CB 4.17Å; Y25-A51 HydrophobicContact CG-CB 3.71Å; F42-A51 HydrophobicContact CE1-CB 4.11Å; F42-A51 HydrophobicContact CZ-CB 3.98Å; D47-A51 WeakPolarHBondContact O-CB 3.24Å; D47-A51 PolarHBondContact O-N 3.08Å; A51-H53 VanDerWaalsContact C-N 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.3Å; A51-L55 PolarHBondContact O-N 2.81Å
52	V	64.5	Low	59.3	Low	47 Å²	47	89.4 Å²	89.4	29%	0.285	46%	0.463	S	S	.	.	H	α-helix	trans	-66.9	-34.5	169.9	171.9	0	0	0	0	111	A48 N56 V90	A48-V52 WeakPolarHBondContact O-CB 3.28Å; A48-V52 WeakPolarHBondContact O-CG2 3.38Å; A48-V52 PolarHBondContact O-N 3.38Å; V52-N56 WeakPolarHBondContact O-CB 3.42Å; V52-N56 PolarHBondContact O-N 3.25Å; V52-V90 HydrophobicContact CG2-CG2 4.45Å
53	H	61.3	Low	58	Low	139 Å²	139	92.5 Å²	92.5	64%	0.644	50%	0.498	S	S	*	.	H	α-helix	trans	-70.1	-41.1	178.4	-159.4	85.4	0	0	0	112.2	S49 D50 A51 N56 G57	S49-H53 VanDerWaalsContact O-CB 3.27Å; S49-H53 WeakPolarHBondContact O-CB 3.49Å; S49-H53 PolarHBondContact O-N 3.25Å; D50-H53 WeakPolarHBondContact O-CB 3.46Å; D50-H53 PolarHBondContact O-N 3.38Å; D50-H53 VanDerWaalsContact O-N 3.17Å; A51-H53 VanDerWaalsContact C-N 3.31Å; H53-N56 CarbonylContact O-C 3.59Å; H53-N56 PolarHBondContact O-N 3.11Å; H53-G57 WeakPolarHBondContact O-CA 3.43Å; H53-G57 PolarHBondContact O-N 3.11Å
54	D	65	Low	56.8	Low	51 Å²	51	93.1 Å²	93.1	27%	0.273	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-43.4	174.9	-164.4	-83.3	0	0	0	111.6	Y25 D50 N56 G57 K58	Y25-D54 HydrophobicContact CE1-CB 3.87Å; Y25-D54 PolarHBondContact OH-OD1 2.92Å; Y25-D54 PolarHBondContact OH-OD2 2.98Å; D50-D54 PolarHBondContact O-N 2.71Å; D54-N56 VanDerWaalsContact C-N 3.29Å; D54-N56 PolarHBondContact O-N 3.18Å; D54-G57 CarbonylContact O-C 3.59Å; D54-G57 WeakPolarHBondContact O-CA 3.48Å; D54-G57 PolarHBondContact O-N 2.77Å; D54-K58 PolarHBondContact O-N 2.79Å; D54-K58 WeakPolarHBondContact OD1-CE 3.4Å; D54-K58 IonicContact OD1-NZ 2.76Å; D54-K58 PolarHBondContact OD1-NZ 3.14Å
55	L	60.7	Low	55.5	Low	75 Å²	75	102.4 Å²	102.4	39%	0.393	54%	0.542	S	S	.	.	H	α-helix	trans	-63	-35.6	176.1	-170.7	72	0	0	0	111.9	F22 A51 G57	F22-L55 HydrophobicContact CZ-CD2 3.97Å; A51-L55 WeakPolarHBondContact O-CB 3.3Å; A51-L55 PolarHBondContact O-N 2.81Å; L55-G57 VanDerWaalsContact C-N 3.32Å
56	N	54.4	Low	54.4	Low	101 Å²	101	101.8 Å²	101.8	54%	0.54	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11	173.4	-174.6	74.4	0	0	0	113	V52 H53 D54 S66	V52-N56 WeakPolarHBondContact O-CB 3.42Å; V52-N56 PolarHBondContact O-N 3.25Å; H53-N56 CarbonylContact O-C 3.59Å; H53-N56 PolarHBondContact O-N 3.11Å; D54-N56 VanDerWaalsContact C-N 3.29Å; D54-N56 PolarHBondContact O-N 3.18Å; N56-S66 PolarHBondContact OD1-OG 3.05Å
57	G	50.2	Low	53	Low	50 Å²	50	104.5 Å²	104.5	52%	0.515	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103	-16.2	-172.6	0	0	0	0	0	115	H53 D54 L55 H59	H53-G57 WeakPolarHBondContact O-CA 3.43Å; H53-G57 PolarHBondContact O-N 3.11Å; D54-G57 CarbonylContact O-C 3.59Å; D54-G57 WeakPolarHBondContact O-CA 3.48Å; D54-G57 PolarHBondContact O-N 2.77Å; L55-G57 VanDerWaalsContact C-N 3.32Å; G57-H59 VanDerWaalsContact C-N 3.29Å; G57-H59 PolarHBondContact O-N 3.34Å
58	K	52.2	Low	51.8	Low	129 Å²	129	105.7 Å²	105.7	56%	0.561	57%	0.571	S	S	*	*			trans	-78.7	81.8	173.4	-80.3	-178.7	178.9	130.2	0	111.8	D54 L60	D54-K58 PolarHBondContact O-N 2.79Å; D54-K58 WeakPolarHBondContact OD1-CE 3.4Å; D54-K58 IonicContact OD1-NZ 2.76Å; D54-K58 PolarHBondContact OD1-NZ 3.14Å; K58-L60 PolarHBondContact O-N 2.9Å
59	H	46.1	Very low	50.6	Low	178 Å²	178	115 Å²	115	82%	0.824	61%	0.61	S	S	*	*			trans	-36.8	93.2	161.8	-126.6	-128.7	0	0	0	113.5	G57 L61	G57-H59 VanDerWaalsContact C-N 3.29Å; G57-H59 PolarHBondContact O-N 3.34Å; H59-L61 PolarHBondContact O-N 3.37Å
60	L	44.9	Very low	49.2	Very low	157 Å²	157	118.8 Å²	118.8	82%	0.822	62%	0.619	S	S	*	*			trans	-82.7	95.9	143.9	-121.2	93.7	0	0	0	106.2	K58	K58-L60 PolarHBondContact O-N 2.9Å
61	L	37.8	Very low	47.8	Very low	143 Å²	143	118 Å²	118	75%	0.749	63%	0.634	S	S	*	*	S	Bend	trans	38.7	112.5	134	-53	157.1	0	0	0	115.6	H59	H59-L61 PolarHBondContact O-N 3.37Å
62	D	40.9	Very low	46.8	Very low	158 Å²	158	122.6 Å²	122.6	85%	0.845	67%	0.667	S	S	*	*	S	Bend	trans	88.4	98.8	158.7	-152.6	-105.6	0	0	0	118.5	S64	D62-S64 PolarHBondContact O-N 2.76Å; D62-S64 VanDerWaalsContact O-N 3.15Å
63	G	43.1	Very low	45.9	Very low	75 Å²	75	127.3 Å²	127.3	77%	0.773	70%	0.696	S	S	*	*				89.7	-15.6	127.8	0	0	0	0	0	120.2
64	S	44.7	Very low	44.8	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	70%	0.704	S	S	*	*			trans	-116.8	99.8	-168.8	-66.2	0	0	0	0	114.5	D62 S66	D62-S64 PolarHBondContact O-N 2.76Å; D62-S64 VanDerWaalsContact O-N 3.15Å; S64-S66 PolarHBondContact O-N 2.73Å
65	R	40.2	Very low	43.6	Very low	241 Å²	241	137 Å²	137	91%	0.909	73%	0.73	S	S	*	*			trans	-13.4	93.3	166.3	-72.1	171	165.5	156.1	-4.5	115.4	R67	R65-R67 PolarHBondContact O-N 2.96Å; R65-R67 VanDerWaalsContact O-N 3.11Å
66	S	41.5	Very low	42.6	Very low	77 Å²	77	136.7 Å²	136.7	54%	0.538	75%	0.746	S	S	.	*			trans	-64.6	109	161.1	179.6	0	0	0	0	108.5	N56 S64 S68	N56-S66 PolarHBondContact OD1-OG 3.05Å; S64-S66 PolarHBondContact O-N 2.73Å; S66-S68 PolarHBondContact O-N 3.2Å
67	R	38.9	Very low	42	Very low	224 Å²	224	141.8 Å²	141.8	85%	0.845	76%	0.757	S	S	*	*			trans	-82.8	97.6	176.4	-130.9	-179	-75	-169.2	-1.8	107.1	R65 F69	R65-R67 PolarHBondContact O-N 2.96Å; R65-R67 VanDerWaalsContact O-N 3.11Å; R67-F69 PolarHBondContact O-N 2.81Å
68	S	39.9	Very low	41.8	Very low	79 Å²	79	150.6 Å²	150.6	55%	0.552	78%	0.775	S	S	*	*			trans	-53.9	122.2	171.2	-44.8	0	0	0	0	110.5	S66 H70	S66-S68 PolarHBondContact O-N 3.2Å; S68-H70 WeakPolarHBondContact CB-ND1 3.19Å; S68-H70 PolarHBondContact O-N 3.36Å; S68-H70 VanDerWaalsContact O-N 3.17Å
69	F	37.5	Very low	41.6	Very low	206 Å²	206	156 Å²	156	90%	0.904	79%	0.792	S	S	*	*			trans	-81.4	82.7	155	-84	-87.4	0	0	0	107.8	R67	R67-F69 PolarHBondContact O-N 2.81Å
70	H	37.2	Very low	41.9	Very low	150 Å²	150	153.3 Å²	153.3	69%	0.694	78%	0.782	S	S	*	*			trans	-67	139.3	159.8	-88.7	75.5	0	0	0	108.7	S68 S72	S68-H70 WeakPolarHBondContact CB-ND1 3.19Å; S68-H70 PolarHBondContact O-N 3.36Å; S68-H70 VanDerWaalsContact O-N 3.17Å; H70-S72 PolarHBondContact O-N 3.39Å
71	G	37.6	Very low	42.1	Very low	83 Å²	83	151.4 Å²	151.4	86%	0.856	78%	0.779	S	S	*	*			trans	-47.1	107.4	165.7	0	0	0	0	0	110
72	S	45.4	Very low	42.7	Very low	99 Å²	99	155 Å²	155	69%	0.692	78%	0.783	S	S	*	*			trans	-142.5	95.3	173.2	-84.4	0	0	0	0	107.6	H70 R74	H70-S72 PolarHBondContact O-N 3.39Å; S72-R74 PolarHBondContact O-N 3.13Å
73	T	45.2	Very low	43.1	Very low	146 Å²	146	153 Å²	153	90%	0.896	78%	0.781	S	S	*	*			trans	-44.2	85.2	153.7	-48.5	0	0	0	0	109.6
74	R	37.2	Very low	43.4	Very low	214 Å²	214	160.8 Å²	160.8	81%	0.808	79%	0.787	S	S	*	*			trans	-167.1	111.2	166.4	-110.5	170.8	-120.2	-155.2	2.4	111.6	S72	S72-R74 PolarHBondContact O-N 3.13Å
75	H	40.1	Very low	43.3	Very low	178 Å²	178	162.9 Å²	162.9	82%	0.824	79%	0.785	S	S	*	*	S	Bend	trans	74.4	111.9	156.7	-54.9	173	0	0	0	117.3
76	G	39.5	Very low	43.6	Very low	70 Å²	70	162.8 Å²	162.8	72%	0.722	78%	0.784	S	S	*	*			trans	134.8	-13.7	142.7	0	0	0	0	0	119.2	R78	G76-R78 PolarHBondContact O-N 3.11Å
77	W	41.1	Very low	43.7	Very low	207 Å²	207	161.6 Å²	161.6	78%	0.784	78%	0.776	S	S	*	*			trans	-82	62.2	-176.7	-60.3	80.6	0	0	0	112.4	R79 I80	W77-R79 PolarHBondContact O-N 2.87Å; W77-I80 HydrophobicContact CE3-CD1 3.77Å; W77-I80 HydrophobicContact CZ3-CD1 4.28Å
78	R	46	Very low	44	Very low	236 Å²	236	158.7 Å²	158.7	89%	0.891	77%	0.765	S	S	*	*			trans	-78.9	110.3	174.6	-77.1	-176.6	167.2	-111.9	0.7	109.2	G76	G76-R78 PolarHBondContact O-N 3.11Å
79	R	48.9	Very low	44.4	Very low	243 Å²	243	160.2 Å²	160.2	92%	0.917	77%	0.767	S	S	*	*			trans	93.5	72.6	172.1	-55.1	-177.9	-159.9	174.8	6	116.4	W77	W77-R79 PolarHBondContact O-N 2.87Å
80	I	53.1	Low	45.2	Very low	120 Å²	120	153.1 Å²	153.1	62%	0.615	74%	0.74	S	S	*	*			trans	-131.5	121.6	149.9	-1.7	175.2	0	0	0	108.3	W77 R82	W77-I80 HydrophobicContact CE3-CD1 3.77Å; W77-I80 HydrophobicContact CZ3-CD1 4.28Å; I80-R82 PolarHBondContact O-N 3.17Å
81	P	47.9	Very low	45.9	Very low	117 Å²	117	151.3 Å²	151.3	76%	0.76	73%	0.732	S	S	*	*			trans	-62.2	128.6	-177.9	21.4	-30.2	0	0	0	111.6	S83	P81-S83 PolarHBondContact O-N 2.7Å
82	R	49.9	Very low	46.7	Very low	219 Å²	219	150.5 Å²	150.5	83%	0.826	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-64.3	9.3	-170.1	-84.8	-172.6	-176.8	177.5	0.6	117.2	I80	I80-R82 PolarHBondContact O-N 3.17Å
83	S	49.6	Very low	46.9	Very low	116 Å²	116	148.2 Å²	148.2	81%	0.811	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-92.2	-1.4	-162.2	-39.2	0	0	0	0	115.5	P81	P81-S83 PolarHBondContact O-N 2.7Å
84	R	50.2	Low	47	Very low	238 Å²	238	144.6 Å²	144.6	90%	0.898	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-132.2	33	-174.1	-146.8	163.4	174.1	175.7	-4.4	113	R86	R84-R86 PolarHBondContact O-N 3.16Å
85	Q	42.8	Very low	47.7	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.734	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	52.6	-170.2	-148.3	174.1	-49.7	0	0	112.2
86	R	46.4	Very low	47.9	Very low	240 Å²	240	138.9 Å²	138.9	91%	0.906	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	13.7	179.2	-64.5	-171.5	84.9	-147.2	6.1	115.1	R84	R84-R86 PolarHBondContact O-N 3.16Å
87	S	42.3	Very low	48.3	Very low	51 Å²	51	140.1 Å²	140.1	36%	0.357	67%	0.672	S	S	.	*			trans	-127.7	133.2	172.3	-155.2	0	0	0	0	113.3	E41 L89	E41-S87 PolarHBondContact OE2-OG 2.9Å; S87-L89 PolarHBondContact O-N 2.79Å; S87-L89 VanDerWaalsContact O-N 3.16Å
88	W	46.2	Very low	48.2	Very low	163 Å²	163	143 Å²	143	62%	0.617	69%	0.691	S	S	*	*			trans	-79.5	83.4	179.6	-64.1	97.9	0	0	0	109.2	H45	H45-W88 HydrophobicContact CB-CZ2 4.5Å; H45-W88 AromaticContact CD2-CD2 3.61Å; H45-W88 AromaticContact CD2-CE2 3.46Å; H45-W88 VanDerWaalsContact CD2-CE2 3.46Å; H45-W88 AromaticContact CD2-CE3 3.59Å; H45-W88 AromaticContact CD2-CH2 3.31Å; H45-W88 WeakPolarHBondContact CD2-CH2 3.13Å; H45-W88 AromaticContact CD2-CZ2 3.33Å; H45-W88 WeakPolarHBondContact CD2-CZ2 3.42Å; H45-W88 AromaticContact CD2-CZ3 3.44Å; H45-W88 VanDerWaalsContact CD2-CZ3 3.44Å; H45-W88 WeakPolarHBondContact CD2-CZ3 3.27Å; H45-W88 AromaticContact CG-CZ2 3.99Å; H45-W88 AromaticContact NE2-CH2 3.36Å; H45-W88 WeakPolarHBondContact NE2-CH2 3.34Å; H45-W88 AromaticContact NE2-CZ2 3.87Å; H45-W88 AromaticContact NE2-CZ3 3.45Å; H45-W88 WeakPolarHBondContact NE2-CZ3 3.22Å
89	L	47.7	Very low	48.3	Very low	112 Å²	112	138.4 Å²	138.4	59%	0.586	68%	0.681	S	S	*	*			trans	-89.4	113.6	172.9	-70	173	0	0	0	109.9	F39 S87	F39-L89 HydrophobicContact CB-CD2 4.46Å; F39-L89 HydrophobicContact CD1-CB 4.34Å; F39-L89 HydrophobicContact CD1-CD2 4.33Å; S87-L89 PolarHBondContact O-N 2.79Å; S87-L89 VanDerWaalsContact O-N 3.16Å
90	V	56	Low	48.3	Very low	56 Å²	56	132.8 Å²	132.8	34%	0.339	67%	0.668	S	S	.	*			trans	-89.2	116.2	170.8	-175.7	0	0	0	0	108.5	F39 V52 L92	F39-V90 WeakPolarHBondContact CD1-O 3.16Å; V52-V90 HydrophobicContact CG2-CG2 4.45Å; V90-L92 PolarHBondContact O-N 2.96Å
91	Q	50.9	Low	48	Very low	113 Å²	113	133.6 Å²	133.6	53%	0.528	67%	0.671	S	S	.	*			trans	-80.6	104.8	174.5	-170.3	-177.2	-63.6	0	0	109.3	F39 S93	F39-Q91 HydrophobicContact CE1-CB 4.01Å; F39-Q91 HydrophobicContact CE1-CG 4.2Å; F39-Q91 HydrophobicContact CZ-CG 4.22Å; Q91-S93 PolarHBondContact NE2-OG 2.96Å; Q91-S93 VanDerWaalsContact NE2-OG 3.11Å; Q91-S93 PolarHBondContact O-N 3.37Å
92	L	54.8	Low	48	Very low	66 Å²	66	134.5 Å²	134.5	35%	0.346	67%	0.666	S	S	.	*			trans	-76.6	61.6	174.7	-71.6	169.1	0	0	0	111.6	Y37 G38 V90 S94	Y37-L92 WeakPolarHBondContact CD1-O 3.33Å; G38-L92 WeakPolarHBondContact O-CB 2.92Å; G38-L92 VanDerWaalsContact O-CD1 3.3Å; G38-L92 WeakPolarHBondContact O-CD1 3.31Å; G38-L92 VanDerWaalsContact O-CG 3.3Å; G38-L92 WeakPolarHBondContact O-CG 3.36Å; G38-L92 PolarHBondContact O-N 2.57Å; V90-L92 PolarHBondContact O-N 2.96Å; L92-S94 PolarHBondContact O-N 2.89Å; L92-S94 VanDerWaalsContact O-N 3.13Å
93	S	49.3	Very low	47.9	Very low	50 Å²	50	129.3 Å²	129.3	35%	0.35	66%	0.656	S	S	.	*			trans	-70.2	105.4	-171	-137.1	0	0	0	0	114.7	Y37 Q91 A95	Y37-S93 VanDerWaalsContact CD1-CA 3.45Å; Y37-S93 WeakPolarHBondContact CE1-OG 3.45Å; Q91-S93 PolarHBondContact NE2-OG 2.96Å; Q91-S93 VanDerWaalsContact NE2-OG 3.11Å; Q91-S93 PolarHBondContact O-N 3.37Å; S93-A95 PolarHBondContact O-N 3.4Å
94	S	46.7	Very low	47.8	Very low	70 Å²	70	130.1 Å²	130.1	49%	0.49	65%	0.645	S	S	.	*			trans	51	57.5	148.8	59.4	0	0	0	0	116.9	Y37 L92	Y37-S94 WeakPolarHBondContact OH-CB 3.44Å; L92-S94 PolarHBondContact O-N 2.89Å; L92-S94 VanDerWaalsContact O-N 3.13Å
95	A	51.6	Low	47.7	Very low	95 Å²	95	122.4 Å²	122.4	79%	0.785	63%	0.627	S	S	*	*			trans	-98.3	-6.6	171.5	0	0	0	0	0	114.2	S93	S93-A95 PolarHBondContact O-N 3.4Å
96	F	44.4	Very low	48	Very low	178 Å²	178	119.8 Å²	119.8	78%	0.781	62%	0.619	S	S	*	*			trans	-123.8	52	-176.7	-94.2	-91.9	0	0	0	112.4
97	A	48.2	Very low	48.2	Very low	96 Å²	96	109.8 Å²	109.8	79%	0.793	60%	0.595	S	S	*	*			trans	-93.7	90.4	162.8	0	0	0	0	0	108
98	F	39.9	Very low	48.7	Very low	267 Å²	267	115.1 Å²	115.1	100%	1.171	62%	0.617	S	S	*	*			trans	-114.9	0	164.9	-131.2	-79.6	0	0	0	108.8

Retrieved 98 of 98 residues in 62.8 ms (Link to these results)

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