A0A077Z9C6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9C6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077Z9C6_TRITR|A0A077Z9C6
MKISRVISQVYSAVPVSTEVEDGPGRQSIELRRNGLAKPMLPLYLLYDILEIEDPKLGDVVVEVWSCGAVVLKAALEASCHRDISVAMISQQRCAIISGSLDNGFQAERYEDEE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.6	Very low	26.3	Very low	233 Å²	233	125.5 Å²	125.5	100%	1.148	64%	0.637	S	S	*	*				0	90.2	0	-168.1	-173.1	-162.2	0	0	109.1
2	K	26.6	Very low	26.9	Very low	183 Å²	183	118.9 Å²	118.9	80%	0.796	61%	0.611	S	S	*	*			trans	-170.6	-26	163.1	-111.9	167	-175.3	-176	0	117.9
3	I	25.8	Very low	27.3	Very low	69 Å²	69	113.9 Å²	113.9	35%	0.354	60%	0.598	S	S	.	*	S	Bend	trans	-86.9	-36.2	-170	-61.9	170.3	0	0	0	113.8	R5 V6 I7 I89	I3-R5 PolarHBondContact O-N 2.64Å; I3-V6 PolarHBondContact O-N 3.21Å; I3-I7 HydrophobicContact CG2-CD1 4.23Å; I3-I7 HydrophobicContact CG2-CG1 4.5Å; I3-I89 HydrophobicContact CG2-CD1 4.15Å
4	S	23.3	Very low	27.6	Very low	110 Å²	110	109.6 Å²	109.6	77%	0.769	58%	0.578	S	S	*	*	H	α-helix	trans	-59.8	-18	-180	41.1	0	0	0	0	114.1
5	R	24.3	Very low	27.7	Very low	201 Å²	201	110 Å²	110	76%	0.758	59%	0.59	S	S	*	*	H	α-helix	trans	-86.6	-17.7	176.8	-130.9	177.2	-172.9	169.7	1.6	114.3	I3	I3-R5 PolarHBondContact O-N 2.64Å
6	V	25.6	Very low	27.9	Very low	102 Å²	102	106.4 Å²	106.4	62%	0.618	57%	0.573	S	S	*	*	H	α-helix	trans	-89.2	-39.1	-176.8	-177.2	0	0	0	0	111	I3 S8 Q9	I3-V6 PolarHBondContact O-N 3.21Å; V6-S8 VanDerWaalsContact C-N 3.25Å; V6-S8 PolarHBondContact O-N 3.03Å; V6-Q9 PolarHBondContact O-N 3.38Å
7	I	26.3	Very low	27.7	Very low	79 Å²	79	106.8 Å²	106.8	41%	0.405	59%	0.586	S	S	.	*	H	α-helix	trans	-60.3	-36.7	-177.9	-59	174.9	0	0	0	111.3	I3 Q9 Y11 I89	I3-I7 HydrophobicContact CG2-CD1 4.23Å; I3-I7 HydrophobicContact CG2-CG1 4.5Å; I7-Q9 VanDerWaalsContact C-N 3.28Å; I7-Q9 PolarHBondContact O-N 2.83Å; I7-Y11 VanDerWaalsContact O-O 3.13Å; I7-I89 HydrophobicContact CD1-CD1 4.32Å
8	S	24.6	Very low	27.8	Very low	85 Å²	85	103.8 Å²	103.8	59%	0.594	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-9.2	-174.4	78.5	0	0	0	0	115.3	V6	V6-S8 VanDerWaalsContact C-N 3.25Å; V6-S8 PolarHBondContact O-N 3.03Å
9	Q	27.1	Very low	27.7	Very low	162 Å²	162	107.5 Å²	107.5	76%	0.757	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-20.6	-175.9	-73.6	-162.7	-10.7	0	0	114.2	V6 I7	V6-Q9 PolarHBondContact O-N 3.38Å; I7-Q9 VanDerWaalsContact C-N 3.28Å; I7-Q9 PolarHBondContact O-N 2.83Å
10	V	29.8	Very low	27.7	Very low	90 Å²	90	107.8 Å²	107.8	55%	0.545	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.8	-35.5	-172.6	-163	0	0	0	0	113.1
11	Y	29.3	Very low	27.9	Very low	67 Å²	67	110.7 Å²	110.7	26%	0.263	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.7	136.8	-178.3	-58.7	-80.4	0	0	0	111	I7 A13	I7-Y11 VanDerWaalsContact O-O 3.13Å; Y11-A13 PolarHBondContact O-N 3.1Å
12	S	33.5	Very low	28.2	Very low	46 Å²	46	108.1 Å²	108.1	32%	0.322	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	101.3	159.9	61.2	0	0	0	0	106.9	V14	S12-V14 VanDerWaalsContact C-N 3.27Å; S12-V14 PolarHBondContact O-N 3.22Å
13	A	31.8	Very low	28.4	Very low	54 Å²	54	101.3 Å²	101.3	45%	0.446	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.8	98.9	159.1	0	0	0	0	0	105.8	Y11 P15	Y11-A13 PolarHBondContact O-N 3.1Å; A13-P15 WeakPolarHBondContact O-CD 3.13Å
14	V	32.3	Very low	28.7	Very low	53 Å²	53	102.7 Å²	102.7	32%	0.321	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	114.8	172.6	-176.7	0	0	0	0	105.5	S12 V16	S12-V14 VanDerWaalsContact C-N 3.27Å; S12-V14 PolarHBondContact O-N 3.22Å; V14-V16 PolarHBondContact O-N 3.49Å
15	P	29.3	Very low	29.1	Very low	116 Å²	116	98.2 Å²	98.2	75%	0.753	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.2	110.8	169.7	23.7	-30.3	0	0	0	107.3	A13 S17	A13-P15 WeakPolarHBondContact O-CD 3.13Å; P15-S17 PolarHBondContact O-N 3.02Å
16	V	29.9	Very low	29.5	Very low	52 Å²	52	95.6 Å²	95.6	32%	0.315	55%	0.546	S	S	.	.			trans	-77.8	121.3	167.2	-173.9	0	0	0	0	104.7	V14 T18 E30	V14-V16 PolarHBondContact O-N 3.49Å; V16-T18 PolarHBondContact O-N 3.15Å; V16-E30 HydrophobicContact CG2-CB 3.4Å; V16-E30 HydrophobicContact CG2-CG 4.46Å; V16-E30 WeakPolarHBondContact CG2-OE2 3.33Å
17	S	25.1	Very low	29.8	Very low	114 Å²	114	96.3 Å²	96.3	80%	0.797	54%	0.543	S	S	*	.			trans	-51.6	114.1	178.5	56.9	0	0	0	0	109.3	P15	P15-S17 PolarHBondContact O-N 3.02Å
18	T	30	Very low	30.1	Very low	52 Å²	52	94 Å²	94	32%	0.319	53%	0.534	S	S	.	.			trans	-86.4	124.6	173.4	40.7	0	0	0	0	109.3	V16 V20 R26 S28	V16-T18 PolarHBondContact O-N 3.15Å; T18-V20 PolarHBondContact O-N 3.12Å; T18-R26 WeakPolarHBondContact CG2-O 3.45Å; T18-S28 VanDerWaalsContact CG2-N 3.29Å; T18-S28 WeakPolarHBondContact CG2-OG 3.4Å
19	E	25.7	Very low	30.5	Very low	175 Å²	175	92.8 Å²	92.8	82%	0.818	52%	0.52	S	S	*	.			trans	-64.8	113.9	161.6	-65.6	-171.9	160.6	0	0	107.3	E21	E19-E21 VanDerWaalsContact C-N 3.29Å; E19-E21 PolarHBondContact O-N 3.27Å; E19-E21 VanDerWaalsContact O-N 3.1Å
20	V	27	Very low	30.7	Very low	112 Å²	112	87 Å²	87	68%	0.679	49%	0.493	S	S	*	.			trans	-80.5	83.1	174.5	-173.9	0	0	0	0	106.3	T18 D22	T18-V20 PolarHBondContact O-N 3.12Å; V20-D22 PolarHBondContact O-N 2.94Å
21	E	32	Very low	30.9	Very low	170 Å²	170	85 Å²	85	79%	0.794	48%	0.479	S	S	*	.			trans	-76.5	99	166.6	-77.4	-166.9	145.3	0	0	108.3	E19 G23	E19-E21 VanDerWaalsContact C-N 3.29Å; E19-E21 PolarHBondContact O-N 3.27Å; E19-E21 VanDerWaalsContact O-N 3.1Å; E21-G23 PolarHBondContact O-N 3.45Å
22	D	32.2	Very low	31.1	Very low	179 Å²	179	87.4 Å²	87.4	96%	0.957	49%	0.488	S	S	*	.	S	Bend	trans	24.5	30.1	156.7	-76.5	-23.9	0	0	0	120.8	V20	V20-D22 PolarHBondContact O-N 2.94Å
23	G	31.5	Very low	31.2	Very low	39 Å²	39	90.4 Å²	90.4	40%	0.402	49%	0.492	S	S	.	.	S	Bend	trans	-142.2	-176	-178	0	0	0	0	0	111.8	E21 G25	E21-G23 PolarHBondContact O-N 3.45Å; G23-G25 PolarHBondContact O-N 3.04Å
24	P	32.7	Very low	31.3	Very low	98 Å²	98	92.6 Å²	92.6	64%	0.636	50%	0.496	S	S	*	.	S	Bend	trans	-54.3	107.8	175.5	23.5	-32.1	0	0	0	108.4	R26 L46 Y47	P24-R26 PolarHBondContact O-N 3.25Å; P24-L46 HydrophobicContact CG-CD2 4.47Å; P24-Y47 HydrophobicContact CB-CD2 4.44Å
25	G	32	Very low	31.4	Very low	17 Å²	17	94.2 Å²	94.2	18%	0.175	52%	0.523	C	S	.	.			trans	-52	112.8	-165.4	0	0	0	0	0	112.1	G23 Q27 Y47	G23-G25 PolarHBondContact O-N 3.04Å; G25-Q27 PolarHBondContact O-N 2.98Å; G25-Y47 VanDerWaalsContact N-CE2 3.3Å; G25-Y47 WeakPolarHBondContact O-CD2 3.5Å; G25-Y47 WeakPolarHBondContact O-CE2 3.19Å
26	R	31.5	Very low	31.7	Very low	145 Å²	145	92.5 Å²	92.5	55%	0.547	51%	0.507	S	S	.	.			trans	-70.2	120.8	168	-86.5	176	167.1	176.3	-5	107.9	T18 P24 L46	T18-R26 WeakPolarHBondContact CG2-O 3.45Å; P24-R26 PolarHBondContact O-N 3.25Å; R26-L46 HydrophobicContact CG-CD1 3.96Å; R26-L46 HydrophobicContact CG-CD2 4.21Å; R26-L46 HydrophobicContact CG-CG 3.84Å
27	Q	33.1	Very low	31.8	Very low	117 Å²	117	95.2 Å²	95.2	55%	0.547	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.5	165.2	-69.5	-169	12.9	0	0	109.1	G25 L45	G25-Q27 PolarHBondContact O-N 2.98Å; Q27-L45 PolarHBondContact N-O 3.02Å; Q27-L45 PolarHBondContact O-N 3.16Å
28	S	31.9	Very low	32.1	Very low	32 Å²	32	97.7 Å²	97.7	22%	0.224	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.5	171.1	61.5	0	0	0	0	109.5	T18 L43	T18-S28 VanDerWaalsContact CG2-N 3.29Å; T18-S28 WeakPolarHBondContact CG2-OG 3.4Å; S28-L43 WeakPolarHBondContact CA-O 3.45Å
29	I	33.1	Very low	32.1	Very low	58 Å²	58	100 Å²	100	30%	0.297	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.9	169.9	-55.6	-176.6	0	0	0	107.9	L31 L43 L45	I29-L31 HydrophobicContact CG2-CD2 4.29Å; I29-L43 PolarHBondContact N-O 3.28Å; I29-L43 PolarHBondContact O-N 3.38Å; I29-L45 HydrophobicContact CD1-CD1 3.36Å; I29-L45 HydrophobicContact CG1-CD1 3.8Å
30	E	32.3	Very low	32.6	Very low	40 Å²	40	95.3 Å²	95.3	19%	0.187	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.2	167.6	-167.3	-167.4	156.2	0	0	108.3	V16 R32	V16-E30 HydrophobicContact CG2-CB 3.4Å; V16-E30 HydrophobicContact CG2-CG 4.46Å; V16-E30 WeakPolarHBondContact CG2-OE2 3.33Å; E30-R32 VanDerWaalsContact CD-NE 3.26Å; E30-R32 HydrophobicContact CG-CG 4.27Å; E30-R32 PolarHBondContact O-N 3.24Å; E30-R32 IonicContact OE1-CZ 3.57Å; E30-R32 IonicContact OE1-NE 2.9Å; E30-R32 PolarHBondContact OE1-NE 3.06Å; E30-R32 IonicContact OE1-NH2 3.4Å; E30-R32 PolarHBondContact OE1-NH2 2.72Å; E30-R32 IonicContact OE2-CZ 2.79Å; E30-R32 IonicContact OE2-NE 3.74Å; E30-R32 PolarHBondContact OE2-NE 3.37Å; E30-R32 IonicContact OE2-NH2 3.23Å; E30-R32 PolarHBondContact OE2-NH2 2.89Å
31	L	33.3	Very low	32.9	Very low	50 Å²	50	96.9 Å²	96.9	26%	0.262	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	109	173.1	-67.2	174.7	0	0	0	108.8	I29 L43	I29-L31 HydrophobicContact CG2-CD2 4.29Å; L31-L43 HydrophobicContact CD1-CD1 3.67Å; L31-L43 HydrophobicContact CG-CD1 4.23Å
32	R	33.1	Very low	32.9	Very low	117 Å²	117	92.2 Å²	92.2	44%	0.442	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.3	173.8	-66.5	-167.5	175.6	173.4	9.8	110.4	E30	E30-R32 VanDerWaalsContact CD-NE 3.26Å; E30-R32 HydrophobicContact CG-CG 4.27Å; E30-R32 PolarHBondContact O-N 3.24Å; E30-R32 IonicContact OE1-CZ 3.57Å; E30-R32 IonicContact OE1-NE 2.9Å; E30-R32 PolarHBondContact OE1-NE 3.06Å; E30-R32 IonicContact OE1-NH2 3.4Å; E30-R32 PolarHBondContact OE1-NH2 2.72Å; E30-R32 IonicContact OE2-CZ 2.79Å; E30-R32 IonicContact OE2-NE 3.74Å; E30-R32 PolarHBondContact OE2-NE 3.37Å; E30-R32 IonicContact OE2-NH2 3.23Å; E30-R32 PolarHBondContact OE2-NH2 2.89Å
33	R	35.3	Very low	33	Very low	109 Å²	109	85.9 Å²	85.9	41%	0.411	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.8	172.6	177.5	170.3	173.6	178.5	3.1	109.6	G35 L36	R33-G35 PolarHBondContact O-N 3.25Å; R33-L36 HydrophobicContact CB-CB 4.34Å; R33-L36 HydrophobicContact CG-CB 4.05Å; R33-L36 VanDerWaalsContact NE-CD1 3.34Å; R33-L36 VanDerWaalsContact NH1-CD1 3.33Å; R33-L36 PolarHBondContact O-N 3.47Å
34	N	35	Very low	32.9	Very low	100 Å²	100	89.2 Å²	89.2	54%	0.535	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	111	167.6	-74.9	-26.6	0	0	0	109.7
35	G	33.8	Very low	32.8	Very low	86 Å²	86	87.4 Å²	87.4	89%	0.887	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-1.1	172.8	0	0	0	0	0	117.3	R33	R33-G35 PolarHBondContact O-N 3.25Å
36	L	35.4	Very low	32.5	Very low	80 Å²	80	88.3 Å²	88.3	42%	0.419	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-133.7	96.8	176.1	-91.2	154.5	0	0	0	108.8	R33 K38	R33-L36 HydrophobicContact CB-CB 4.34Å; R33-L36 HydrophobicContact CG-CB 4.05Å; R33-L36 VanDerWaalsContact NE-CD1 3.34Å; R33-L36 VanDerWaalsContact NH1-CD1 3.33Å; R33-L36 PolarHBondContact O-N 3.47Å; L36-K38 PolarHBondContact O-N 3.08Å
37	A	32.7	Very low	32.5	Very low	110 Å²	110	88.6 Å²	88.6	91%	0.909	47%	0.469	S	S	*	.			trans	-72.1	47.9	178.4	0	0	0	0	0	112.4
38	K	31.5	Very low	32.5	Very low	165 Å²	165	88.4 Å²	88.4	72%	0.717	47%	0.472	S	S	*	.			trans	-93.8	115.3	164.9	-81	-170	174.9	-175.4	0	107.3	L36 M40	L36-K38 PolarHBondContact O-N 3.08Å; K38-M40 PolarHBondContact O-N 3.32Å; K38-M40 VanDerWaalsContact O-N 3.09Å
39	P	30	Very low	32.4	Very low	102 Å²	102	90.7 Å²	90.7	66%	0.662	48%	0.481	S	S	*	.			trans	-59.8	118.2	171.3	24.3	-30.2	0	0	0	107.1
40	M	35.3	Very low	32.3	Very low	76 Å²	76	88.4 Å²	88.4	37%	0.374	47%	0.47	S	S	.	.			trans	-72.8	152.4	161	-80.9	-158.7	54.7	0	0	108.5	K38	K38-M40 PolarHBondContact O-N 3.32Å; K38-M40 VanDerWaalsContact O-N 3.09Å
41	L	33.6	Very low	32.1	Very low	144 Å²	144	91 Å²	91	75%	0.754	48%	0.482	S	S	*	.			trans	-42.2	133	-179.9	-73.2	157.9	0	0	0	110.6	L43	L41-L43 PolarHBondContact O-N 3.15Å
42	P	31.3	Very low	32.1	Very low	72 Å²	72	90.9 Å²	90.9	47%	0.468	48%	0.481	S	S	.	.			trans	-58.3	124.2	176.1	23.3	-30.9	0	0	0	109	Y44	P42-Y44 HydrophobicContact CB-CE2 3.94Å; P42-Y44 HydrophobicContact CG-CE2 3.89Å
43	L	34.2	Very low	32.1	Very low	47 Å²	47	93.6 Å²	93.6	25%	0.246	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.6	172.4	-76.6	158.7	0	0	0	107.9	S28 I29 L31 L41 V71	S28-L43 WeakPolarHBondContact CA-O 3.45Å; I29-L43 PolarHBondContact N-O 3.28Å; I29-L43 PolarHBondContact O-N 3.38Å; L31-L43 HydrophobicContact CD1-CD1 3.67Å; L31-L43 HydrophobicContact CG-CD1 4.23Å; L41-L43 PolarHBondContact O-N 3.15Å; L43-V71 HydrophobicContact CD1-CG1 4.43Å; L43-V71 HydrophobicContact CD2-CG1 3.67Å; L43-V71 HydrophobicContact CD2-CG2 4.41Å
44	Y	29.8	Very low	32	Very low	109 Å²	109	91 Å²	91	43%	0.427	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.8	178.1	-59.5	-84.7	0	0	0	109.5	P42 L46 L50	P42-Y44 HydrophobicContact CB-CE2 3.94Å; P42-Y44 HydrophobicContact CG-CE2 3.89Å; Y44-L46 PolarHBondContact O-N 3.44Å; Y44-L50 WeakPolarHBondContact O-CD1 3.31Å
45	L	30.1	Very low	32	Very low	60 Å²	60	92.8 Å²	92.8	31%	0.314	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	102.3	167.3	-75.3	125.9	0	0	0	108	Q27 I29 L50	Q27-L45 PolarHBondContact N-O 3.02Å; Q27-L45 PolarHBondContact O-N 3.16Å; I29-L45 HydrophobicContact CD1-CD1 3.36Å; I29-L45 HydrophobicContact CG1-CD1 3.8Å; L45-L50 HydrophobicContact CG-CD1 4.45Å
46	L	26.1	Very low	32.1	Very low	36 Å²	36	98.1 Å²	98.1	19%	0.188	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-83.6	146.8	156	-87.9	119.4	0	0	0	107.9	P24 R26 Y44 D48 I49	P24-L46 HydrophobicContact CG-CD2 4.47Å; R26-L46 HydrophobicContact CG-CD1 3.96Å; R26-L46 HydrophobicContact CG-CD2 4.21Å; R26-L46 HydrophobicContact CG-CG 3.84Å; Y44-L46 PolarHBondContact O-N 3.44Å; L46-D48 PolarHBondContact O-N 3.46Å; L46-D48 VanDerWaalsContact O-N 3.16Å; L46-I49 CarbonylContact C-O 3.47Å; L46-I49 WeakPolarHBondContact CB-O 3.18Å; L46-I49 PolarHBondContact O-N 3.4Å
47	Y	32.6	Very low	31.8	Very low	150 Å²	150	100.5 Å²	100.5	59%	0.588	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.1	121.6	170.4	-71.3	-94.9	0	0	0	111	P24 G25 I49	P24-Y47 HydrophobicContact CB-CD2 4.44Å; G25-Y47 VanDerWaalsContact N-CE2 3.3Å; G25-Y47 WeakPolarHBondContact O-CD2 3.5Å; G25-Y47 WeakPolarHBondContact O-CE2 3.19Å; Y47-I49 PolarHBondContact O-N 3.38Å
48	D	32	Very low	31.6	Very low	113 Å²	113	97.1 Å²	97.1	60%	0.604	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	-4.7	178.2	-62.1	-36	0	0	0	118.9	L46 V64	L46-D48 PolarHBondContact O-N 3.46Å; L46-D48 VanDerWaalsContact O-N 3.16Å; D48-V64 WeakPolarHBondContact O-CB 3.39Å; D48-V64 WeakPolarHBondContact O-CG2 3.29Å; D48-V64 PolarHBondContact O-N 2.96Å
49	I	29.5	Very low	31.6	Very low	80 Å²	80	95.2 Å²	95.2	41%	0.41	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.3	-176	-58.5	177.5	0	0	0	109.1	L46 Y47 V61	L46-I49 CarbonylContact C-O 3.47Å; L46-I49 WeakPolarHBondContact CB-O 3.18Å; L46-I49 PolarHBondContact O-N 3.4Å; Y47-I49 PolarHBondContact O-N 3.38Å; I49-V61 HydrophobicContact CG2-CG1 3.69Å
50	L	31.9	Very low	31.5	Very low	11 Å²	11	93.1 Å²	93.1	6%	0.058	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.9	166.9	-159.2	86.7	0	0	0	107.7	Y44 L45 I52 V62 V64 C67 V71	Y44-L50 WeakPolarHBondContact O-CD1 3.31Å; L45-L50 HydrophobicContact CG-CD1 4.45Å; L50-I52 HydrophobicContact CD2-CD1 3.93Å; L50-I52 HydrophobicContact CD2-CG1 3.64Å; L50-I52 HydrophobicContact CG-CG1 4.25Å; L50-V62 PolarHBondContact N-O 3.02Å; L50-V62 PolarHBondContact O-N 3.08Å; L50-V64 HydrophobicContact CB-CG2 4.46Å; L50-C67 HydrophobicContact CB-CB 3.93Å; L50-C67 WeakPolarHBondContact CB-SG 3.4Å; L50-C67 HydrophobicContact CD2-CB 3.93Å; L50-V71 HydrophobicContact CD2-CG2 3.29Å
51	E	27.9	Very low	31.1	Very low	95 Å²	95	94.2 Å²	94.2	44%	0.444	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.4	169.9	-153.8	170.8	-151.3	0	0	107.1
52	I	32.6	Very low	30.9	Very low	47 Å²	47	88.6 Å²	88.6	24%	0.241	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.6	177.8	-54.9	176	0	0	0	107.6	L50 D54 V60 V70	L50-I52 HydrophobicContact CD2-CD1 3.93Å; L50-I52 HydrophobicContact CD2-CG1 3.64Å; L50-I52 HydrophobicContact CG-CG1 4.25Å; I52-D54 HydrophobicContact CG2-CB 4.17Å; I52-D54 PolarHBondContact O-N 2.76Å; I52-V60 PolarHBondContact N-O 3.15Å; I52-V60 PolarHBondContact O-N 2.76Å; I52-V70 HydrophobicContact CD1-CG1 4.17Å
53	E	32.6	Very low	31	Very low	173 Å²	173	91.7 Å²	91.7	81%	0.808	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	91.8	168.5	-161.7	-179.6	-179.2	0	0	108.1
54	D	33.4	Very low	31.2	Very low	55 Å²	55	90.3 Å²	90.3	29%	0.294	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.2	174.3	-178.5	-61.5	0	0	0	109.3	I52 K56 L57 G58	I52-D54 HydrophobicContact CG2-CB 4.17Å; I52-D54 PolarHBondContact O-N 2.76Å; D54-K56 PolarHBondContact O-N 2.77Å; D54-K56 WeakPolarHBondContact OD1-CA 3.36Å; D54-K56 VanDerWaalsContact OD1-CB 3.27Å; D54-K56 WeakPolarHBondContact OD1-CB 3.37Å; D54-K56 PolarHBondContact OD1-N 2.8Å; D54-L57 HydrophobicContact CB-CB 4.05Å; D54-L57 HydrophobicContact CB-CD1 4.32Å; D54-L57 HydrophobicContact CB-CG 4.43Å; D54-L57 PolarHBondContact O-N 3.04Å; D54-L57 VanDerWaalsContact O-N 3.15Å; D54-L57 PolarHBondContact OD1-N 3.09Å; D54-L57 VanDerWaalsContact OD1-N 3.08Å; D54-G58 PolarHBondContact O-N 2.78Å
55	P	34.6	Very low	31.6	Very low	138 Å²	138	88.7 Å²	88.7	90%	0.896	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13	-175.2	23.9	-32.2	0	0	0	114.1
56	K	35.8	Very low	32.2	Very low	198 Å²	198	88.9 Å²	88.9	86%	0.861	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-33.2	174.5	-61.8	-178.5	177.7	177	0	113	D54	D54-K56 PolarHBondContact O-N 2.77Å; D54-K56 WeakPolarHBondContact OD1-CA 3.36Å; D54-K56 VanDerWaalsContact OD1-CB 3.27Å; D54-K56 WeakPolarHBondContact OD1-CB 3.37Å; D54-K56 PolarHBondContact OD1-N 2.8Å
57	L	29.4	Very low	33	Very low	130 Å²	130	87.3 Å²	87.3	68%	0.681	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.3	-175.1	-62	167.2	0	0	0	113.4	D54 V60	D54-L57 HydrophobicContact CB-CB 4.05Å; D54-L57 HydrophobicContact CB-CD1 4.32Å; D54-L57 HydrophobicContact CB-CG 4.43Å; D54-L57 PolarHBondContact O-N 3.04Å; D54-L57 VanDerWaalsContact O-N 3.15Å; D54-L57 PolarHBondContact OD1-N 3.09Å; D54-L57 VanDerWaalsContact OD1-N 3.08Å; L57-V60 HydrophobicContact CB-CG2 4.31Å
58	G	29.7	Very low	33.7	Very low	38 Å²	38	80.3 Å²	80.3	39%	0.392	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-176.9	-172.9	0	0	0	0	0	112.2	D54 V60	D54-G58 PolarHBondContact O-N 2.78Å; G58-V60 WeakPolarHBondContact O-CG2 3.5Å; G58-V60 PolarHBondContact O-N 2.9Å; G58-V60 VanDerWaalsContact O-N 3.15Å
59	D	30.3	Very low	34.3	Very low	125 Å²	125	77.2 Å²	77.2	67%	0.668	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	110.6	177.2	-60.3	-29.9	0	0	0	109.5
60	V	28.5	Very low	35.1	Very low	59 Å²	59	76.7 Å²	76.7	36%	0.358	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.1	176	-163.5	0	0	0	0	109.3	I52 L57 G58 V62	I52-V60 PolarHBondContact N-O 3.15Å; I52-V60 PolarHBondContact O-N 2.76Å; L57-V60 HydrophobicContact CB-CG2 4.31Å; G58-V60 WeakPolarHBondContact O-CG2 3.5Å; G58-V60 PolarHBondContact O-N 2.9Å; G58-V60 VanDerWaalsContact O-N 3.15Å; V60-V62 HydrophobicContact CB-CG2 4.17Å; V60-V62 HydrophobicContact CG1-CG2 3.39Å
61	V	26.9	Very low	36	Very low	98 Å²	98	77.6 Å²	77.6	59%	0.594	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.7	168.4	-177.7	0	0	0	0	108	I49	I49-V61 HydrophobicContact CG2-CG1 3.69Å
62	V	29.5	Very low	37	Very low	27 Å²	27	73.1 Å²	73.1	16%	0.164	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.4	-179.2	-172.2	0	0	0	0	109.3	L50 V60 V64 C67	L50-V62 PolarHBondContact N-O 3.02Å; L50-V62 PolarHBondContact O-N 3.08Å; V60-V62 HydrophobicContact CB-CG2 4.17Å; V60-V62 HydrophobicContact CG1-CG2 3.39Å; V62-V64 PolarHBondContact O-N 3.48Å; V62-C67 VanDerWaalsContact CB-SG 3.56Å; V62-C67 PolarHBondContact O-SG 3.41Å
63	E	33.3	Very low	37.6	Very low	137 Å²	137	75.9 Å²	75.9	64%	0.64	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.5	171.6	-71.8	-175.5	161.7	0	0	110	W65 S66 C67	E63-W65 PolarHBondContact O-N 2.88Å; E63-S66 WeakPolarHBondContact O-CA 3.5Å; E63-S66 VanDerWaalsContact O-CB 3.31Å; E63-S66 WeakPolarHBondContact O-CB 3.37Å; E63-S66 PolarHBondContact O-N 3.14Å; E63-C67 VanDerWaalsContact C-SG 3.59Å; E63-C67 PolarHBondContact O-N 2.99Å; E63-C67 PolarHBondContact O-SG 2.98Å
64	V	38.7	Very low	38.4	Very low	18 Å²	18	70.1 Å²	70.1	11%	0.109	40%	0.396	C	S	.	.	H	α-helix	trans	-50.9	-33	-172.7	164	0	0	0	0	113.5	D48 L50 V62 S66 C67 G68 M88	D48-V64 WeakPolarHBondContact O-CB 3.39Å; D48-V64 WeakPolarHBondContact O-CG2 3.29Å; D48-V64 PolarHBondContact O-N 2.96Å; L50-V64 HydrophobicContact CB-CG2 4.46Å; V62-V64 PolarHBondContact O-N 3.48Å; V64-S66 VanDerWaalsContact C-N 3.28Å; V64-S66 PolarHBondContact O-N 2.81Å; V64-C67 VanDerWaalsContact CA-SG 3.58Å; V64-C67 WeakPolarHBondContact O-CA 3.28Å; V64-C67 VanDerWaalsContact O-CB 3.29Å; V64-C67 WeakPolarHBondContact O-CB 3.17Å; V64-C67 PolarHBondContact O-N 3.28Å; V64-C67 VanDerWaalsContact O-N 3.09Å; V64-G68 PolarHBondContact O-N 3.08Å; V64-M88 HydrophobicContact CB-CE 4.5Å; V64-M88 HydrophobicContact CG1-CE 3.24Å; V64-M88 WeakPolarHBondContact O-CE 3.24Å
65	W	39.1	Very low	39	Very low	74 Å²	74	68.4 Å²	68.4	28%	0.28	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-30.9	176.6	-60.2	99.6	0	0	0	113.4	E63 R93 A95	E63-W65 PolarHBondContact O-N 2.88Å; W65-R93 HydrophobicContact CH2-CB 3.73Å; W65-R93 HydrophobicContact CH2-CG 4.46Å; W65-R93 HydrophobicContact CZ2-CB 4.29Å; W65-A95 HydrophobicContact CZ3-CB 4.09Å
66	S	41.4	Very low	39.5	Very low	64 Å²	64	62.1 Å²	62.1	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-82.6	-30	171.8	-60.5	0	0	0	0	110.9	E63 V64 G68 A69 V70	E63-S66 WeakPolarHBondContact O-CA 3.5Å; E63-S66 VanDerWaalsContact O-CB 3.31Å; E63-S66 WeakPolarHBondContact O-CB 3.37Å; E63-S66 PolarHBondContact O-N 3.14Å; V64-S66 VanDerWaalsContact C-N 3.28Å; V64-S66 PolarHBondContact O-N 2.81Å; S66-G68 VanDerWaalsContact C-N 3.34Å; S66-G68 PolarHBondContact O-N 2.8Å; S66-A69 PolarHBondContact O-N 2.73Å; S66-V70 PolarHBondContact O-N 2.82Å
67	C	42.9	Very low	40.2	Very low	3 Å²	3	58.8 Å²	58.8	2%	0.02	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-35.8	175.7	-55.9	0	0	0	0	113	L50 V62 E63 V64 A69 V70 V71	L50-C67 HydrophobicContact CB-CB 3.93Å; L50-C67 WeakPolarHBondContact CB-SG 3.4Å; L50-C67 HydrophobicContact CD2-CB 3.93Å; V62-C67 VanDerWaalsContact CB-SG 3.56Å; V62-C67 PolarHBondContact O-SG 3.41Å; E63-C67 VanDerWaalsContact C-SG 3.59Å; E63-C67 PolarHBondContact O-N 2.99Å; E63-C67 PolarHBondContact O-SG 2.98Å; V64-C67 VanDerWaalsContact CA-SG 3.58Å; V64-C67 WeakPolarHBondContact O-CA 3.28Å; V64-C67 VanDerWaalsContact O-CB 3.29Å; V64-C67 WeakPolarHBondContact O-CB 3.17Å; V64-C67 PolarHBondContact O-N 3.28Å; V64-C67 VanDerWaalsContact O-N 3.09Å; C67-A69 PolarHBondContact O-N 3.24Å; C67-A69 VanDerWaalsContact O-N 3.14Å; C67-V70 PolarHBondContact O-N 2.76Å; C67-V70 VanDerWaalsContact O-N 3.08Å; C67-V71 HydrophobicContact CB-CG2 4.16Å; C67-V71 VanDerWaalsContact O-CB 3.22Å; C67-V71 WeakPolarHBondContact O-CB 3.45Å; C67-V71 VanDerWaalsContact O-CG2 3.26Å; C67-V71 WeakPolarHBondContact O-CG2 2.93Å; C67-V71 PolarHBondContact O-N 3.43Å
68	G	46.8	Very low	40.9	Very low	3 Å²	3	56.2 Å²	56.2	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-51.5	-41.2	179.2	0	0	0	0	0	113	V64 S66 L72 M88 I97	V64-G68 PolarHBondContact O-N 3.08Å; S66-G68 VanDerWaalsContact C-N 3.34Å; S66-G68 PolarHBondContact O-N 2.8Å; G68-L72 WeakPolarHBondContact O-CB 3.36Å; G68-L72 PolarHBondContact O-N 3.32Å; G68-M88 WeakPolarHBondContact CA-SD 3.3Å; G68-I97 WeakPolarHBondContact O-CD1 3.28Å
69	A	44.8	Very low	41.6	Very low	48 Å²	48	55.8 Å²	55.8	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-76.6	-42.1	176.3	0	0	0	0	0	112.8	S66 C67 K73	S66-A69 PolarHBondContact O-N 2.73Å; C67-A69 PolarHBondContact O-N 3.24Å; C67-A69 VanDerWaalsContact O-N 3.14Å; A69-K73 VanDerWaalsContact O-CB 3.3Å; A69-K73 WeakPolarHBondContact O-CB 3.48Å; A69-K73 PolarHBondContact O-N 2.89Å
70	V	47.5	Very low	42.2	Very low	69 Å²	69	54.9 Å²	54.9	42%	0.418	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-46.7	-178	178	0	0	0	0	111.7	I52 S66 C67 L72 K73 A74	I52-V70 HydrophobicContact CD1-CG1 4.17Å; S66-V70 PolarHBondContact O-N 2.82Å; C67-V70 PolarHBondContact O-N 2.76Å; C67-V70 VanDerWaalsContact O-N 3.08Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-K73 PolarHBondContact O-N 2.73Å; V70-A74 WeakPolarHBondContact O-CB 3.14Å; V70-A74 PolarHBondContact O-N 3.19Å
71	V	50.2	Low	43	Very low	30 Å²	30	56.1 Å²	56.1	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.5	174.5	0	0	0	0	110.4	L43 L50 C67 K73 A74 A75	L43-V71 HydrophobicContact CD1-CG1 4.43Å; L43-V71 HydrophobicContact CD2-CG1 3.67Å; L43-V71 HydrophobicContact CD2-CG2 4.41Å; L50-V71 HydrophobicContact CD2-CG2 3.29Å; C67-V71 HydrophobicContact CB-CG2 4.16Å; C67-V71 VanDerWaalsContact O-CB 3.22Å; C67-V71 WeakPolarHBondContact O-CB 3.45Å; C67-V71 VanDerWaalsContact O-CG2 3.26Å; C67-V71 WeakPolarHBondContact O-CG2 2.93Å; C67-V71 PolarHBondContact O-N 3.43Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-A74 PolarHBondContact O-N 2.8Å; V71-A75 WeakPolarHBondContact O-CB 3.27Å; V71-A75 PolarHBondContact O-N 3.37Å
72	L	48.1	Very low	44.2	Very low	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-41.2	177.2	-170.7	119.6	0	0	0	111.2	G68 V70 A75 L76 I84 V86 I97 F105	G68-L72 WeakPolarHBondContact O-CB 3.36Å; G68-L72 PolarHBondContact O-N 3.32Å; V70-L72 VanDerWaalsContact C-N 3.34Å; L72-A75 PolarHBondContact O-N 2.99Å; L72-L76 HydrophobicContact CD2-CD1 3.8Å; L72-L76 HydrophobicContact CG-CD1 4.19Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 WeakPolarHBondContact O-CD1 3.04Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 2.79Å; L72-I84 HydrophobicContact CD1-CG2 3.81Å; L72-I84 HydrophobicContact CG-CG2 4.25Å; L72-V86 HydrophobicContact CD1-CB 3.64Å; L72-V86 HydrophobicContact CD1-CG2 3.56Å; L72-I97 HydrophobicContact CB-CG2 4.49Å; L72-I97 HydrophobicContact CD1-CB 4.14Å; L72-I97 HydrophobicContact CD1-CG2 3.93Å; L72-I97 WeakPolarHBondContact CD1-O 3.25Å; L72-I97 HydrophobicContact CD2-CG2 3.88Å; L72-I97 HydrophobicContact CG-CG2 4.34Å; L72-F105 HydrophobicContact CD2-CB 4.29Å; L72-F105 HydrophobicContact CD2-CD1 3Å; L72-F105 HydrophobicContact CD2-CD2 4.18Å; L72-F105 HydrophobicContact CD2-CE1 3.32Å; L72-F105 HydrophobicContact CD2-CE2 4.39Å; L72-F105 HydrophobicContact CD2-CG 3.53Å; L72-F105 HydrophobicContact CD2-CZ 4.03Å; L72-F105 HydrophobicContact CG-CD1 4.48Å
73	K	45.8	Very low	45.3	Very low	105 Å²	105	63 Å²	63	46%	0.457	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-48.9	173.4	-177.9	-180	170.6	-175.5	0	111.7	A69 V70 V71 A75 L76 E77 F105	A69-K73 VanDerWaalsContact O-CB 3.3Å; A69-K73 WeakPolarHBondContact O-CB 3.48Å; A69-K73 PolarHBondContact O-N 2.89Å; V70-K73 PolarHBondContact O-N 2.73Å; V71-K73 VanDerWaalsContact C-N 3.34Å; K73-A75 VanDerWaalsContact C-N 3.35Å; K73-A75 PolarHBondContact O-N 3.23Å; K73-L76 WeakPolarHBondContact O-CB 3.26Å; K73-L76 PolarHBondContact O-N 2.8Å; K73-L76 VanDerWaalsContact O-N 3.14Å; K73-E77 WeakPolarHBondContact CE-OE1 3.34Å; K73-E77 HydrophobicContact CG-CG 4.42Å; K73-E77 IonicContact NZ-OE1 3.77Å; K73-E77 WeakPolarHBondContact O-CG 3.22Å; K73-E77 PolarHBondContact O-N 2.87Å; K73-F105 HydrophobicContact CB-CE2 4.4Å
74	A	49.1	Very low	46	Very low	52 Å²	52	57.2 Å²	57.2	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-41.1	178.7	0	0	0	0	0	111.7	V70 V71 L76 E77 A78	V70-A74 WeakPolarHBondContact O-CB 3.14Å; V70-A74 PolarHBondContact O-N 3.19Å; V71-A74 PolarHBondContact O-N 2.8Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 PolarHBondContact O-N 2.81Å; A74-E77 PolarHBondContact O-N 3.48Å; A74-A78 VanDerWaalsContact O-CB 3.25Å; A74-A78 WeakPolarHBondContact O-CB 2.9Å; A74-A78 PolarHBondContact O-N 2.61Å
75	A	47	Very low	46.5	Very low	19 Å²	19	60 Å²	60	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-38.7	173.5	0	0	0	0	0	111.3	V71 L72 K73 S79 I84	V71-A75 WeakPolarHBondContact O-CB 3.27Å; V71-A75 PolarHBondContact O-N 3.37Å; L72-A75 PolarHBondContact O-N 2.99Å; K73-A75 VanDerWaalsContact C-N 3.35Å; K73-A75 PolarHBondContact O-N 3.23Å; A75-S79 WeakPolarHBondContact O-CB 3.33Å; A75-S79 PolarHBondContact O-N 3.47Å; A75-I84 HydrophobicContact CB-CD1 4.49Å
76	L	45	Very low	47.1	Very low	7 Å²	7	58.8 Å²	58.8	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-69.7	-45.9	175.5	-79.8	163.9	0	0	0	113	L72 K73 A74 A78 S79 H81 R82 I84 F105	L72-L76 HydrophobicContact CD2-CD1 3.8Å; L72-L76 HydrophobicContact CG-CD1 4.19Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 WeakPolarHBondContact O-CD1 3.04Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 2.79Å; K73-L76 WeakPolarHBondContact O-CB 3.26Å; K73-L76 PolarHBondContact O-N 2.8Å; K73-L76 VanDerWaalsContact O-N 3.14Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 PolarHBondContact O-N 2.81Å; L76-A78 PolarHBondContact O-N 2.87Å; L76-S79 PolarHBondContact O-N 2.78Å; L76-S79 VanDerWaalsContact O-N 3.07Å; L76-S79 PolarHBondContact O-OG 3.14Å; L76-H81 WeakPolarHBondContact CD2-O 3.36Å; L76-R82 WeakPolarHBondContact CD2-O 3.48Å; L76-I84 HydrophobicContact CD1-CB 4.42Å; L76-I84 HydrophobicContact CD2-CB 3.75Å; L76-I84 HydrophobicContact CD2-CD1 3.52Å; L76-I84 HydrophobicContact CD2-CG1 3.4Å; L76-I84 VanDerWaalsContact CD2-CG1 3.4Å; L76-I84 HydrophobicContact CG-CB 4.06Å; L76-I84 HydrophobicContact CG-CD1 3.74Å; L76-I84 HydrophobicContact CG-CG1 4.01Å; L76-F105 HydrophobicContact CD1-CD1 4.08Å; L76-F105 HydrophobicContact CD1-CE1 2.93Å; L76-F105 HydrophobicContact CD1-CE2 4.2Å; L76-F105 HydrophobicContact CD1-CZ 3.02Å; L76-F105 HydrophobicContact CG-CE1 4.42Å; L76-F105 HydrophobicContact CG-CZ 4.41Å
77	E	50.3	Low	47.3	Very low	127 Å²	127	58 Å²	58	59%	0.593	34%	0.341	S	S	*	.	H	α-helix	trans	-60.8	-33.6	175.7	-73.4	179.9	171	0	0	111.5	K73 A74 L101	K73-E77 WeakPolarHBondContact CE-OE1 3.34Å; K73-E77 HydrophobicContact CG-CG 4.42Å; K73-E77 IonicContact NZ-OE1 3.77Å; K73-E77 WeakPolarHBondContact O-CG 3.22Å; K73-E77 PolarHBondContact O-N 2.87Å; A74-E77 PolarHBondContact O-N 3.48Å; E77-L101 HydrophobicContact CG-CD1 4.43Å
78	A	44.9	Very low	47.6	Very low	76 Å²	76	59.5 Å²	59.5	63%	0.628	35%	0.348	S	S	*	.	H	α-helix	trans	-81.6	-22.7	174.5	0	0	0	0	0	113.7	A74 L76	A74-A78 VanDerWaalsContact O-CB 3.25Å; A74-A78 WeakPolarHBondContact O-CB 2.9Å; A74-A78 PolarHBondContact O-N 2.61Å; L76-A78 PolarHBondContact O-N 2.87Å
79	S	43.3	Very low	47.5	Very low	30 Å²	30	64.4 Å²	64.4	21%	0.21	37%	0.372	C	S	.	.	S	Bend	trans	-90.8	150.8	-178.5	90.2	0	0	0	0	111.9	A75 L76 H81	A75-S79 WeakPolarHBondContact O-CB 3.33Å; A75-S79 PolarHBondContact O-N 3.47Å; L76-S79 PolarHBondContact O-N 2.78Å; L76-S79 VanDerWaalsContact O-N 3.07Å; L76-S79 PolarHBondContact O-OG 3.14Å; S79-H81 PolarHBondContact O-N 3.43Å; S79-H81 PolarHBondContact OG-N 2.78Å; S79-H81 VanDerWaalsContact OG-N 3.12Å; S79-H81 PolarHBondContact OG-O 2.9Å
80	C	42.7	Very low	47.6	Very low	105 Å²	105	64.7 Å²	64.7	71%	0.709	37%	0.372	S	S	*	.	S	Bend	trans	-80.1	-0.7	166.5	57.5	0	0	0	0	113.1
81	H	45.6	Very low	47.6	Very low	85 Å²	85	70.7 Å²	70.7	39%	0.394	40%	0.395	S	S	.	.			trans	-91.5	132.5	-179.5	-67.2	-68.6	0	0	0	109.5	L76 S79	L76-H81 WeakPolarHBondContact CD2-O 3.36Å; S79-H81 PolarHBondContact O-N 3.43Å; S79-H81 PolarHBondContact OG-N 2.78Å; S79-H81 VanDerWaalsContact OG-N 3.12Å; S79-H81 PolarHBondContact OG-O 2.9Å
82	R	52.1	Low	47.5	Very low	157 Å²	157	75 Å²	75	59%	0.592	41%	0.414	S	S	*	.	S	Bend	trans	-78.9	-30.5	179.5	-63.7	-162.8	178	-149.8	-2	111.9	L76 S100 L101 D102	L76-R82 WeakPolarHBondContact CD2-O 3.48Å; R82-S100 WeakPolarHBondContact O-CA 3.44Å; R82-S100 WeakPolarHBondContact O-CB 3.31Å; R82-L101 PolarHBondContact O-N 2.95Å; R82-D102 VanDerWaalsContact CD-OD2 3.24Å; R82-D102 WeakPolarHBondContact CD-OD2 3.29Å; R82-D102 IonicContact CZ-OD2 3.65Å; R82-D102 IonicContact NE-OD2 3.86Å; R82-D102 IonicContact NH1-OD1 3.33Å; R82-D102 PolarHBondContact NH1-OD1 2.87Å; R82-D102 IonicContact NH1-OD2 2.7Å; R82-D102 PolarHBondContact NH1-OD2 3.33Å
83	D	52.3	Low	47.6	Very low	114 Å²	114	80 Å²	80	61%	0.61	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	128.6	-175.7	-50.4	-52.6	0	0	0	111	G99 S100	D83-G99 WeakPolarHBondContact CA-O 3.17Å; D83-S100 WeakPolarHBondContact OD1-CB 3Å
84	I	49.4	Very low	47.8	Very low	14 Å²	14	76 Å²	76	7%	0.072	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.1	174.8	-71	-174.5	0	0	0	109.8	L72 A75 L76 V86 S98 G99	L72-I84 HydrophobicContact CD1-CG2 3.81Å; L72-I84 HydrophobicContact CG-CG2 4.25Å; A75-I84 HydrophobicContact CB-CD1 4.49Å; L76-I84 HydrophobicContact CD1-CB 4.42Å; L76-I84 HydrophobicContact CD2-CB 3.75Å; L76-I84 HydrophobicContact CD2-CD1 3.52Å; L76-I84 HydrophobicContact CD2-CG1 3.4Å; L76-I84 VanDerWaalsContact CD2-CG1 3.4Å; L76-I84 HydrophobicContact CG-CB 4.06Å; L76-I84 HydrophobicContact CG-CD1 3.74Å; L76-I84 HydrophobicContact CG-CG1 4.01Å; I84-V86 HydrophobicContact CG2-CG2 3.92Å; I84-S98 WeakPolarHBondContact O-CA 3.44Å; I84-G99 PolarHBondContact N-O 3.23Å; I84-G99 PolarHBondContact O-N 3.39Å
85	S	47.5	Very low	47.6	Very low	77 Å²	77	73.7 Å²	73.7	54%	0.538	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.8	166.2	-61.4	0	0	0	0	109.4	I97 S98	S85-I97 CarbonylContact C-O 3.51Å; S85-I97 VanDerWaalsContact CA-O 3.28Å; S85-I97 WeakPolarHBondContact CA-O 3.34Å; S85-S98 VanDerWaalsContact OG-CB 3.29Å; S85-S98 WeakPolarHBondContact OG-CB 3.25Å
86	V	52	Low	47.8	Very low	49 Å²	49	75.1 Å²	75.1	30%	0.297	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.2	175.9	171	0	0	0	0	108.5	L72 I84 M88 I97	L72-V86 HydrophobicContact CD1-CB 3.64Å; L72-V86 HydrophobicContact CD1-CG2 3.56Å; I84-V86 HydrophobicContact CG2-CG2 3.92Å; V86-M88 HydrophobicContact CG1-CG 4.19Å; V86-I97 PolarHBondContact N-O 3.26Å; V86-I97 PolarHBondContact O-N 3.03Å
87	A	45.7	Very low	48.1	Very low	46 Å²	46	75.1 Å²	75.1	38%	0.38	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.5	168.4	0	0	0	0	0	108.9	A95 I96	A87-A95 CarbonylContact C-O 3.55Å; A87-A95 WeakPolarHBondContact CA-O 3.41Å; A87-I96 HydrophobicContact CB-CG1 4.38Å
88	M	49.7	Very low	48.3	Very low	35 Å²	35	70.9 Å²	70.9	17%	0.172	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.5	170.6	-58.3	-178.4	70.6	0	0	107.6	V64 G68 V86 C94 A95 I97	V64-M88 HydrophobicContact CB-CE 4.5Å; V64-M88 HydrophobicContact CG1-CE 3.24Å; V64-M88 WeakPolarHBondContact O-CE 3.24Å; G68-M88 WeakPolarHBondContact CA-SD 3.3Å; V86-M88 HydrophobicContact CG1-CG 4.19Å; M88-C94 CarbonylContact O-C 3.54Å; M88-C94 WeakPolarHBondContact O-CA 3.42Å; M88-C94 WeakPolarHBondContact O-CB 3.47Å; M88-A95 PolarHBondContact N-O 2.95Å; M88-A95 PolarHBondContact O-N 2.9Å; M88-I97 HydrophobicContact SD-CD1 4.05Å
89	I	44.5	Very low	48.6	Very low	106 Å²	106	68.3 Å²	68.3	54%	0.544	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.8	-177	-53.8	175.6	0	0	0	107.9	I3 I7 C94	I3-I89 HydrophobicContact CG2-CD1 4.15Å; I7-I89 HydrophobicContact CD1-CD1 4.32Å; I89-C94 HydrophobicContact CB-CB 4.37Å; I89-C94 HydrophobicContact CG1-CB 3.95Å; I89-C94 HydrophobicContact CG2-CB 4.34Å
90	S	47.1	Very low	49.2	Very low	54 Å²	54	67 Å²	67	38%	0.378	36%	0.358	S	S	.	.			trans	-117.1	173.3	168	72.4	0	0	0	0	108.9	Q92 R93	S90-Q92 PolarHBondContact O-N 3.32Å; S90-Q92 VanDerWaalsContact O-N 3.08Å; S90-R93 WeakPolarHBondContact CA-O 3.43Å; S90-R93 PolarHBondContact N-O 3.09Å; S90-R93 PolarHBondContact O-N 3.24Å; S90-R93 WeakPolarHBondContact OG-CB 3.42Å; S90-R93 PolarHBondContact OG-N 2.97Å; S90-R93 PolarHBondContact OG-O 2.97Å
91	Q	48.2	Very low	49.6	Very low	196 Å²	196	66.8 Å²	66.8	92%	0.916	35%	0.35	S	S	*	.	S	Bend	trans	-56.5	-28.1	-174.5	-70.4	-179.2	-17.7	0	0	114.7
92	Q	47.9	Very low	50.2	Low	121 Å²	121	67.3 Å²	67.3	57%	0.565	36%	0.355	S	S	*	.	S	Bend	trans	-126.1	-4.6	-174.8	-65.9	177.8	-25.8	0	0	113.4	S90 D112	S90-Q92 PolarHBondContact O-N 3.32Å; S90-Q92 VanDerWaalsContact O-N 3.08Å; Q92-D112 PolarHBondContact O-N 2.98Å
93	R	49.2	Very low	50.3	Low	106 Å²	106	66.6 Å²	66.6	40%	0.4	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	140.9	-170.5	-53.3	-177.8	176.6	163.7	-2.3	110.6	W65 S90 Y110 E111	W65-R93 HydrophobicContact CH2-CB 3.73Å; W65-R93 HydrophobicContact CH2-CG 4.46Å; W65-R93 HydrophobicContact CZ2-CB 4.29Å; S90-R93 WeakPolarHBondContact CA-O 3.43Å; S90-R93 PolarHBondContact N-O 3.09Å; S90-R93 PolarHBondContact O-N 3.24Å; S90-R93 WeakPolarHBondContact OG-CB 3.42Å; S90-R93 PolarHBondContact OG-N 2.97Å; S90-R93 PolarHBondContact OG-O 2.97Å; R93-Y110 CarbonylContact C-O 3.45Å; R93-Y110 WeakPolarHBondContact CA-O 3.01Å; R93-E111 HydrophobicContact CG-CB 4.33Å; R93-E111 HydrophobicContact CG-CG 3.98Å; R93-E111 IonicContact CZ-OE1 3.49Å; R93-E111 IonicContact NE-OE1 3.43Å; R93-E111 PolarHBondContact NE-OE1 3.33Å
94	C	50.4	Low	50.2	Low	20 Å²	20	62.8 Å²	62.8	14%	0.135	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.2	165.9	64.4	0	0	0	0	111.8	M88 I89 Y110	M88-C94 CarbonylContact O-C 3.54Å; M88-C94 WeakPolarHBondContact O-CA 3.42Å; M88-C94 WeakPolarHBondContact O-CB 3.47Å; I89-C94 HydrophobicContact CB-CB 4.37Å; I89-C94 HydrophobicContact CG1-CB 3.95Å; I89-C94 HydrophobicContact CG2-CB 4.34Å; C94-Y110 PolarHBondContact N-O 3.33Å; C94-Y110 PolarHBondContact O-N 3.4Å; C94-Y110 VanDerWaalsContact SG-CB 3.51Å
95	A	45.8	Very low	50.2	Low	4 Å²	4	65.4 Å²	65.4	3%	0.033	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.5	169.5	0	0	0	0	0	109.4	W65 A87 M88 E108 R109	W65-A95 HydrophobicContact CZ3-CB 4.09Å; A87-A95 CarbonylContact C-O 3.55Å; A87-A95 WeakPolarHBondContact CA-O 3.41Å; M88-A95 PolarHBondContact N-O 2.95Å; M88-A95 PolarHBondContact O-N 2.9Å; A95-E108 CarbonylContact C-O 3.55Å; A95-E108 WeakPolarHBondContact CA-O 3.01Å; A95-R109 HydrophobicContact CB-CG 4.36Å
96	I	50.3	Low	50.1	Low	48 Å²	48	68.4 Å²	68.4	25%	0.246	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.7	171.1	-61.2	173.8	0	0	0	106.4	A87 A107 E108 Y110	A87-I96 HydrophobicContact CB-CG1 4.38Å; I96-A107 CarbonylContact O-C 3.49Å; I96-A107 WeakPolarHBondContact O-CA 3.24Å; I96-E108 PolarHBondContact N-O 2.7Å; I96-E108 PolarHBondContact O-N 2.98Å; I96-Y110 HydrophobicContact CD1-CE2 3.96Å; I96-Y110 HydrophobicContact CG1-CE2 4.26Å
97	I	51.2	Low	49.9	Very low	8 Å²	8	69.1 Å²	69.1	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.4	175.1	-53.8	177.7	0	0	0	107	G68 L72 S85 V86 M88 F105 Q106 A107	G68-I97 WeakPolarHBondContact O-CD1 3.28Å; L72-I97 HydrophobicContact CB-CG2 4.49Å; L72-I97 HydrophobicContact CD1-CB 4.14Å; L72-I97 HydrophobicContact CD1-CG2 3.93Å; L72-I97 WeakPolarHBondContact CD1-O 3.25Å; L72-I97 HydrophobicContact CD2-CG2 3.88Å; L72-I97 HydrophobicContact CG-CG2 4.34Å; S85-I97 CarbonylContact C-O 3.51Å; S85-I97 VanDerWaalsContact CA-O 3.28Å; S85-I97 WeakPolarHBondContact CA-O 3.34Å; V86-I97 PolarHBondContact N-O 3.26Å; V86-I97 PolarHBondContact O-N 3.03Å; M88-I97 HydrophobicContact SD-CD1 4.05Å; I97-F105 HydrophobicContact CG2-CB 4.38Å; I97-Q106 CarbonylContact C-O 3.44Å; I97-Q106 VanDerWaalsContact CA-O 3.3Å; I97-Q106 WeakPolarHBondContact CA-O 3.32Å; I97-A107 HydrophobicContact CG1-CB 3.93Å
98	S	54.3	Low	49.9	Very low	37 Å²	37	71.3 Å²	71.3	26%	0.259	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.8	179.2	62.1	0	0	0	0	109.9	I84 S85 F105 Q106	I84-S98 WeakPolarHBondContact O-CA 3.44Å; S85-S98 VanDerWaalsContact OG-CB 3.29Å; S85-S98 WeakPolarHBondContact OG-CB 3.25Å; S98-F105 WeakPolarHBondContact O-CA 3.14Å; S98-Q106 PolarHBondContact N-O 3.32Å; S98-Q106 PolarHBondContact O-N 2.8Å; S98-Q106 VanDerWaalsContact O-O 3.14Å
99	G	51.1	Low	49.9	Very low	22 Å²	22	77.4 Å²	77.4	23%	0.227	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-165.4	169.2	0	0	0	0	0	112.9	D83 I84 G104	D83-G99 WeakPolarHBondContact CA-O 3.17Å; I84-G99 PolarHBondContact N-O 3.23Å; I84-G99 PolarHBondContact O-N 3.39Å; G99-G104 VanDerWaalsContact CA-O 3.31Å; G99-G104 WeakPolarHBondContact CA-O 3.4Å
100	S	56.1	Low	50.2	Low	2 Å²	2	77.7 Å²	77.7	1%	0.014	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.2	-174.9	81.7	0	0	0	0	112.1	R82 D83 D102 N103 G104	R82-S100 WeakPolarHBondContact O-CA 3.44Å; R82-S100 WeakPolarHBondContact O-CB 3.31Å; D83-S100 WeakPolarHBondContact OD1-CB 3Å; S100-D102 PolarHBondContact O-N 2.98Å; S100-D102 PolarHBondContact OG-N 3.07Å; S100-N103 PolarHBondContact O-N 3.4Å; S100-N103 VanDerWaalsContact OG-CB 3.32Å; S100-N103 WeakPolarHBondContact OG-CB 3.46Å; S100-N103 PolarHBondContact OG-N 3.37Å; S100-N103 PolarHBondContact OG-ND2 3.12Å; S100-G104 PolarHBondContact N-O 3.24Å; S100-G104 CarbonylContact O-C 3.57Å; S100-G104 WeakPolarHBondContact O-CA 3.43Å; S100-G104 PolarHBondContact O-N 3.3Å
101	L	50.8	Low	50.5	Low	102 Å²	102	80.4 Å²	80.4	53%	0.534	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.8	175.5	-164.9	75.9	0	0	0	111.6	E77 R82	E77-L101 HydrophobicContact CG-CD1 4.43Å; R82-L101 PolarHBondContact O-N 2.95Å
102	D	59.6	Low	50.6	Low	95 Å²	95	77.3 Å²	77.3	51%	0.508	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-33.5	-176.4	-61	-37.9	0	0	0	113.2	R82 S100	R82-D102 VanDerWaalsContact CD-OD2 3.24Å; R82-D102 WeakPolarHBondContact CD-OD2 3.29Å; R82-D102 IonicContact CZ-OD2 3.65Å; R82-D102 IonicContact NE-OD2 3.86Å; R82-D102 IonicContact NH1-OD1 3.33Å; R82-D102 PolarHBondContact NH1-OD1 2.87Å; R82-D102 IonicContact NH1-OD2 2.7Å; R82-D102 PolarHBondContact NH1-OD2 3.33Å; S100-D102 PolarHBondContact O-N 2.98Å; S100-D102 PolarHBondContact OG-N 3.07Å
103	N	54.1	Low	50.7	Low	143 Å²	143	80.9 Å²	80.9	77%	0.765	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-2.5	-171.4	-60.3	-37.5	0	0	0	113.6	S100	S100-N103 PolarHBondContact O-N 3.4Å; S100-N103 VanDerWaalsContact OG-CB 3.32Å; S100-N103 WeakPolarHBondContact OG-CB 3.46Å; S100-N103 PolarHBondContact OG-N 3.37Å; S100-N103 PolarHBondContact OG-ND2 3.12Å
104	G	49.3	Very low	50.2	Low	33 Å²	33	88 Å²	88	34%	0.34	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-175	-173.7	0	0	0	0	0	113	G99 S100	G99-G104 VanDerWaalsContact CA-O 3.31Å; G99-G104 WeakPolarHBondContact CA-O 3.4Å; S100-G104 PolarHBondContact N-O 3.24Å; S100-G104 CarbonylContact O-C 3.57Å; S100-G104 WeakPolarHBondContact O-CA 3.43Å; S100-G104 PolarHBondContact O-N 3.3Å
105	F	49.1	Very low	50.2	Low	69 Å²	69	91.4 Å²	91.4	30%	0.303	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.8	-175	-55.2	-60.6	0	0	0	111.6	L72 K73 L76 I97 S98	L72-F105 HydrophobicContact CD2-CB 4.29Å; L72-F105 HydrophobicContact CD2-CD1 3Å; L72-F105 HydrophobicContact CD2-CD2 4.18Å; L72-F105 HydrophobicContact CD2-CE1 3.32Å; L72-F105 HydrophobicContact CD2-CE2 4.39Å; L72-F105 HydrophobicContact CD2-CG 3.53Å; L72-F105 HydrophobicContact CD2-CZ 4.03Å; L72-F105 HydrophobicContact CG-CD1 4.48Å; K73-F105 HydrophobicContact CB-CE2 4.4Å; L76-F105 HydrophobicContact CD1-CD1 4.08Å; L76-F105 HydrophobicContact CD1-CE1 2.93Å; L76-F105 HydrophobicContact CD1-CE2 4.2Å; L76-F105 HydrophobicContact CD1-CZ 3.02Å; L76-F105 HydrophobicContact CG-CE1 4.42Å; L76-F105 HydrophobicContact CG-CZ 4.41Å; I97-F105 HydrophobicContact CG2-CB 4.38Å; S98-F105 WeakPolarHBondContact O-CA 3.14Å
106	Q	46.3	Very low	50.5	Low	141 Å²	141	96 Å²	96	66%	0.659	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	139	170.1	-63	-171.9	5.6	0	0	108.8	I97 S98	I97-Q106 CarbonylContact C-O 3.44Å; I97-Q106 VanDerWaalsContact CA-O 3.3Å; I97-Q106 WeakPolarHBondContact CA-O 3.32Å; S98-Q106 PolarHBondContact N-O 3.32Å; S98-Q106 PolarHBondContact O-N 2.8Å; S98-Q106 VanDerWaalsContact O-O 3.14Å
107	A	47.2	Very low	50.5	Low	64 Å²	64	98.7 Å²	98.7	53%	0.529	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.5	176.1	0	0	0	0	0	108.7	I96 I97	I96-A107 CarbonylContact O-C 3.49Å; I96-A107 WeakPolarHBondContact O-CA 3.24Å; I97-A107 HydrophobicContact CG1-CB 3.93Å
108	E	46.7	Very low	50.4	Low	92 Å²	92	104 Å²	104	43%	0.43	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.8	169.2	-65.5	-179.4	176.2	0	0	108.6	A95 I96 Y110	A95-E108 CarbonylContact C-O 3.55Å; A95-E108 WeakPolarHBondContact CA-O 3.01Å; I96-E108 PolarHBondContact N-O 2.7Å; I96-E108 PolarHBondContact O-N 2.98Å; E108-Y110 HydrophobicContact CB-CE2 3.73Å; E108-Y110 PolarHBondContact OE2-OH 3.43Å
109	R	49.4	Very low	50.2	Low	162 Å²	162	108.2 Å²	108.2	61%	0.611	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	138	177.7	-64.4	-177.9	-178.1	178.4	-1	109.3	A95	A95-R109 HydrophobicContact CB-CG 4.36Å
110	Y	51.1	Low	50.1	Low	112 Å²	112	113.9 Å²	113.9	44%	0.439	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.5	119.4	175.8	-56.4	-93.7	0	0	0	106.7	R93 C94 I96 E108	R93-Y110 CarbonylContact C-O 3.45Å; R93-Y110 WeakPolarHBondContact CA-O 3.01Å; C94-Y110 PolarHBondContact N-O 3.33Å; C94-Y110 PolarHBondContact O-N 3.4Å; C94-Y110 VanDerWaalsContact SG-CB 3.51Å; I96-Y110 HydrophobicContact CD1-CE2 3.96Å; I96-Y110 HydrophobicContact CG1-CE2 4.26Å; E108-Y110 HydrophobicContact CB-CE2 3.73Å; E108-Y110 PolarHBondContact OE2-OH 3.43Å
111	E	52.6	Low	49.7	Very low	111 Å²	111	121.9 Å²	121.9	52%	0.519	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	139.6	170.1	-56.1	-169.6	163.3	0	0	106.2	R93 E113	R93-E111 HydrophobicContact CG-CB 4.33Å; R93-E111 HydrophobicContact CG-CG 3.98Å; R93-E111 IonicContact CZ-OE1 3.49Å; R93-E111 IonicContact NE-OE1 3.43Å; R93-E111 PolarHBondContact NE-OE1 3.33Å; E111-E113 PolarHBondContact O-N 2.95Å; E111-E113 VanDerWaalsContact O-N 3.12Å
112	D	50.3	Low	49.6	Very low	132 Å²	132	123.5 Å²	123.5	71%	0.706	61%	0.609	S	S	*	*			trans	-65	113.6	165.3	-78.3	-30.7	0	0	0	106.5	Q92 E114	Q92-D112 PolarHBondContact O-N 2.98Å; D112-E114 PolarHBondContact O-N 3.45Å; D112-E114 VanDerWaalsContact O-N 3.15Å
113	E	49.2	Very low	48.8	Very low	195 Å²	195	125.8 Å²	125.8	91%	0.911	62%	0.617	S	S	*	*			trans	-64	109.6	164.2	-69.8	-176.2	160.5	0	0	106.4	E111	E111-E113 PolarHBondContact O-N 2.95Å; E111-E113 VanDerWaalsContact O-N 3.12Å
114	E	40.5	Very low	48.3	Very low	256 Å²	256	124.3 Å²	124.3	100%	1.196	60%	0.604	S	S	*	*			trans	-60.7	0	169.1	-121	-175	175.4	0	0	111.6	D112	D112-E114 PolarHBondContact O-N 3.45Å; D112-E114 VanDerWaalsContact O-N 3.15Å

Retrieved 114 of 114 residues in 96.1 ms (Link to these results)

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