A0A077ZMA5_TRITR Loading...

Density-regulated protein homolog

AlphaFold DB , UniProt , Accession A0A077ZMA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 aa.

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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	45.1	Very low	45.6	Very low	231 Å²	231	161.6 Å²	161.6	100%	1.138	80%	0.804	S	S	*	*				0	85.3	0	-70.8	128.1	79.1	0	0	106.4
2	S	46	Very low	45.4	Very low	96 Å²	96	159.3 Å²	159.3	67%	0.671	80%	0.796	S	S	*	*				30.9	110.5	62.2	-105.6	0	0	0	0	114.8
3	E	50.8	Low	45.4	Very low	178 Å²	178	159 Å²	159	83%	0.832	80%	0.798	S	S	*	*			trans	81.9	36.7	140.4	-69.6	162.9	84.1	0	0	121.5
4	E	47.7	Very low	45.3	Very low	182 Å²	182	154.9 Å²	154.9	85%	0.85	79%	0.791	S	S	*	*	S	Bend	trans	-116.4	20.4	162.1	-62.9	-157.4	100.9	0	0	113.7
5	G	45.9	Very low	44.5	Very low	66 Å²	66	151.3 Å²	151.3	68%	0.68	78%	0.784	S	S	*	*	S	Bend	trans	-100.9	-18.6	-173.6	0	0	0	0	0	116.5
6	H	48.2	Very low	44.4	Very low	172 Å²	172	152.7 Å²	152.7	80%	0.796	78%	0.782	S	S	*	*	S	Bend	trans	-95.6	-17.1	-168.4	-150.8	74	0	0	0	114.5
7	W	45	Very low	44.3	Very low	234 Å²	234	150.9 Å²	150.9	89%	0.886	77%	0.77	S	S	*	*	S	Bend	trans	-81.3	-19.6	179.6	-107.9	77.3	0	0	0	114.3
8	F	41.3	Very low	44.5	Very low	185 Å²	185	152.2 Å²	152.2	81%	0.811	77%	0.772	S	S	*	*	S	Bend	trans	-79.9	-18.5	-171.7	-121.2	-90.5	0	0	0	114.8
9	R	43.6	Very low	44.6	Very low	231 Å²	231	152.9 Å²	152.9	87%	0.872	77%	0.773	S	S	*	*	S	Bend	trans	-87.4	-22.8	-178.9	-83.2	-170.1	-179.3	-141.6	0.9	114.6	C11	R9-C11 VanDerWaalsContact C-N 3.31Å
10	T	46.4	Very low	44.4	Very low	106 Å²	106	153.3 Å²	153.3	65%	0.65	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-6.6	-177	-17.3	0	0	0	0	113
11	C	41.4	Very low	44.6	Very low	97 Å²	97	148.5 Å²	148.5	66%	0.655	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-3.6	179.8	-151.2	0	0	0	0	114.1	R9	R9-C11 VanDerWaalsContact C-N 3.31Å
12	D	43	Very low	44.8	Very low	133 Å²	133	145.4 Å²	145.4	71%	0.711	73%	0.729	S	S	*	*	S	Bend	trans	-86.5	-19.8	176.7	-170.7	-116.5	0	0	0	113.2
13	L	45.3	Very low	45	Very low	156 Å²	156	149.9 Å²	149.9	82%	0.817	73%	0.732	S	S	*	*	S	Bend	trans	-93.9	-14	-175.3	-138.4	76.3	0	0	0	114.2
14	S	44.9	Very low	44.9	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	71%	0.705	S	S	*	*	S	Bend	trans	-96.8	-11.9	-176.7	-169.3	0	0	0	0	114.4	K16	S14-K16 VanDerWaalsContact C-N 3.33Å
15	C	32.5	Very low	45.6	Very low	101 Å²	101	140.6 Å²	140.6	68%	0.682	71%	0.708	S	S	*	*	S	Bend	trans	-97.8	21.6	179.9	-156.9	0	0	0	0	112.6
16	K	43	Very low	45.8	Very low	174 Å²	174	140.3 Å²	140.3	76%	0.757	70%	0.695	S	S	*	*			trans	-117.2	37.5	-178.2	-145	176.3	-172.2	175.2	0	112.7	S14	S14-K16 VanDerWaalsContact C-N 3.33Å
17	E	43.1	Very low	46.2	Very low	123 Å²	123	134.3 Å²	134.3	58%	0.575	67%	0.671	S	S	*	*	S	Bend	trans	-120.6	116.8	161.3	-55.4	-111.4	89.7	0	0	104.4	E19 K110	E17-E19 PolarHBondContact O-N 3.04Å; E17-K110 IonicContact OE1-NZ 2.7Å; E17-K110 PolarHBondContact OE1-NZ 2.95Å; E17-K110 IonicContact OE2-NZ 3.68Å
18	E	47.4	Very low	47.1	Very low	173 Å²	173	127.8 Å²	127.8	81%	0.808	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	26.5	-169.9	-79.6	140.9	55.8	0	0	116.1
19	E	47.2	Very low	48.1	Very low	167 Å²	167	128.4 Å²	128.4	78%	0.78	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	25.5	-178.8	-85.8	-146.2	92.3	0	0	114.3	E17	E17-E19 PolarHBondContact O-N 3.04Å
20	Y	40.5	Very low	49	Very low	160 Å²	160	118.7 Å²	118.7	63%	0.627	62%	0.618	S	S	*	*			trans	-125.4	13.6	168	-89.8	-83	0	0	0	114.7	E22 Y23 G24	Y20-E22 PolarHBondContact O-N 2.76Å; Y20-Y23 PolarHBondContact O-N 2.65Å; Y20-G24 PolarHBondContact O-N 2.63Å
21	C	49	Very low	49.9	Very low	53 Å²	53	119.5 Å²	119.5	36%	0.358	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.5	-38.4	169.7	157.8	0	0	0	0	113.3	C30	C21-C30 HydrophobicContact CB-CB 3.46Å; C21-C30 VanDerWaalsContact CB-CB 3.46Å; C21-C30 WeakPolarHBondContact CB-SG 3.14Å; C21-C30 WeakPolarHBondContact SG-CB 3.48Å; C21-C30 CovalentContact SG-SG 1.96Å; C21-C30 PolarHBondContact SG-SG 2.84Å
22	E	48.7	Very low	51.1	Low	165 Å²	165	120.1 Å²	120.1	77%	0.771	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-22.4	-174.1	-160.3	161.5	93.7	0	0	112.9	Y20	Y20-E22 PolarHBondContact O-N 2.76Å
23	Y	50.5	Low	52.3	Low	191 Å²	191	119.2 Å²	119.2	75%	0.749	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	1.9	-176.8	-75.1	-83	0	0	0	114.6	Y20	Y20-Y23 PolarHBondContact O-N 2.65Å
24	G	47.9	Very low	53.1	Low	26 Å²	26	114.5 Å²	114.5	27%	0.268	56%	0.564	S	S	.	*	S	Bend	trans	-82.2	155.1	175.3	0	0	0	0	0	112.7	Y20 S26	Y20-G24 PolarHBondContact O-N 2.63Å; G24-S26 PolarHBondContact O-N 3.25Å
25	P	63.2	Low	54	Low	138 Å²	138	115.1 Å²	115.1	90%	0.896	55%	0.554	S	S	*	*	S	Bend	trans	-67	9.9	-178.7	27.9	-35.6	0	0	0	115
26	S	50.1	Low	55.5	Low	61 Å²	61	117.7 Å²	117.7	43%	0.427	55%	0.553	S	S	.	*			trans	-143.4	68.7	178.5	-66.8	0	0	0	0	111.5	G24 D28 R29	G24-S26 PolarHBondContact O-N 3.25Å; S26-D28 PolarHBondContact O-N 2.76Å; S26-R29 PolarHBondContact O-N 3.47Å
27	P	55.5	Low	56.7	Low	45 Å²	45	115 Å²	115	29%	0.292	54%	0.543	S	S	.	.	H	α-helix	trans	-61	-24.9	174.7	27.2	-35.2	0	0	0	112.1	C30 R31	P27-C30 PolarHBondContact O-N 3.27Å; P27-R31 WeakPolarHBondContact O-CG 3.06Å; P27-R31 PolarHBondContact O-N 2.8Å
28	D	63.6	Low	57.2	Low	98 Å²	98	112 Å²	112	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-42.5	-179.9	-60.8	-67.9	0	0	0	113.2	S26 C30 R31 E32	S26-D28 PolarHBondContact O-N 2.76Å; D28-C30 VanDerWaalsContact C-N 3.31Å; D28-C30 PolarHBondContact O-N 2.83Å; D28-R31 PolarHBondContact O-N 3.43Å; D28-R31 IonicContact OD1-CZ 3.8Å; D28-R31 IonicContact OD1-NE 3.91Å; D28-R31 IonicContact OD1-NH2 2.84Å; D28-R31 PolarHBondContact OD1-NH2 3.18Å; D28-R31 IonicContact OD2-NH2 3.92Å; D28-E32 WeakPolarHBondContact O-CG 2.96Å; D28-E32 PolarHBondContact O-N 2.87Å
29	R	62.7	Low	57.4	Low	198 Å²	198	107.9 Å²	107.9	75%	0.747	52%	0.519	S	S	*	.	H	α-helix	trans	-64.9	-38.3	178.6	-69.5	-169.4	-167.2	-174.4	5.3	111.9	S26 E32 W33	S26-R29 PolarHBondContact O-N 3.47Å; R29-E32 PolarHBondContact O-N 2.87Å; R29-W33 WeakPolarHBondContact O-CB 3.46Å; R29-W33 PolarHBondContact O-N 3.03Å
30	C	64.1	Low	58	Low	26 Å²	26	105.5 Å²	105.5	18%	0.176	52%	0.515	C	S	.	.	H	α-helix	trans	-70.8	-41.6	177.3	172.8	0	0	0	0	112.1	C21 P27 D28 E32 W33 M34	C21-C30 HydrophobicContact CB-CB 3.46Å; C21-C30 VanDerWaalsContact CB-CB 3.46Å; C21-C30 WeakPolarHBondContact CB-SG 3.14Å; C21-C30 WeakPolarHBondContact SG-CB 3.48Å; C21-C30 CovalentContact SG-SG 1.96Å; C21-C30 PolarHBondContact SG-SG 2.84Å; P27-C30 PolarHBondContact O-N 3.27Å; D28-C30 VanDerWaalsContact C-N 3.31Å; D28-C30 PolarHBondContact O-N 2.83Å; C30-E32 VanDerWaalsContact C-N 3.28Å; C30-E32 PolarHBondContact O-N 3.15Å; C30-W33 PolarHBondContact O-N 2.83Å; C30-W33 VanDerWaalsContact O-N 3.14Å; C30-M34 WeakPolarHBondContact O-CB 2.98Å; C30-M34 VanDerWaalsContact O-CG 3.3Å; C30-M34 WeakPolarHBondContact O-CG 3.44Å; C30-M34 PolarHBondContact O-N 3.08Å
31	R	63.9	Low	58.5	Low	124 Å²	124	101.8 Å²	101.8	47%	0.468	51%	0.506	S	S	.	.	H	α-helix	trans	-58.9	-41.1	173.1	-76.1	-169.2	-72.6	-114.7	2.5	111.6	P27 D28 M34 K35	P27-R31 WeakPolarHBondContact O-CG 3.06Å; P27-R31 PolarHBondContact O-N 2.8Å; D28-R31 PolarHBondContact O-N 3.43Å; D28-R31 IonicContact OD1-CZ 3.8Å; D28-R31 IonicContact OD1-NE 3.91Å; D28-R31 IonicContact OD1-NH2 2.84Å; D28-R31 PolarHBondContact OD1-NH2 3.18Å; D28-R31 IonicContact OD2-NH2 3.92Å; R31-M34 PolarHBondContact O-N 3.08Å; R31-K35 WeakPolarHBondContact O-CB 3.27Å; R31-K35 VanDerWaalsContact O-CG 3.25Å; R31-K35 WeakPolarHBondContact O-CG 3.1Å; R31-K35 PolarHBondContact O-N 2.83Å
32	E	67	Low	58.8	Low	110 Å²	110	102.1 Å²	102.1	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-65.7	-38	174.5	-71.8	-152.2	93.2	0	0	113.2	D28 R29 C30 K35 K36	D28-E32 WeakPolarHBondContact O-CG 2.96Å; D28-E32 PolarHBondContact O-N 2.87Å; R29-E32 PolarHBondContact O-N 2.87Å; C30-E32 VanDerWaalsContact C-N 3.28Å; C30-E32 PolarHBondContact O-N 3.15Å; E32-K35 PolarHBondContact O-N 2.96Å; E32-K36 WeakPolarHBondContact O-CB 3.39Å; E32-K36 VanDerWaalsContact O-CG 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 2.77Å
33	W	69.1	Low	59.2	Low	114 Å²	114	97.1 Å²	97.1	43%	0.432	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-45.4	174.5	-172.5	88.5	0	0	0	111.6	R29 C30 K35 K36 H37 L38	R29-W33 WeakPolarHBondContact O-CB 3.46Å; R29-W33 PolarHBondContact O-N 3.03Å; C30-W33 PolarHBondContact O-N 2.83Å; C30-W33 VanDerWaalsContact O-N 3.14Å; W33-K35 VanDerWaalsContact C-N 3.33Å; W33-K35 PolarHBondContact O-N 3.38Å; W33-K36 PolarHBondContact O-N 3.34Å; W33-K36 VanDerWaalsContact O-N 3.1Å; W33-H37 AromaticContact CD1-CD2 3.45Å; W33-H37 VanDerWaalsContact CD1-CD2 3.45Å; W33-H37 AromaticContact CD1-NE2 3.73Å; W33-H37 HydrophobicContact CD2-CB 4.4Å; W33-H37 AromaticContact CD2-CD2 3.75Å; W33-H37 AromaticContact CE2-CD2 3.29Å; W33-H37 AromaticContact CE2-CG 3.7Å; W33-H37 AromaticContact CE2-NE2 3.72Å; W33-H37 HydrophobicContact CE3-CB 4.45Å; W33-H37 AromaticContact CG-CD2 3.84Å; W33-H37 HydrophobicContact CH2-CB 4.3Å; W33-H37 HydrophobicContact CZ2-CB 4.21Å; W33-H37 AromaticContact CZ2-CD2 3.84Å; W33-H37 AromaticContact CZ2-CG 3.78Å; W33-H37 HydrophobicContact CZ3-CB 4.41Å; W33-H37 AromaticContact NE1-CD2 3.08Å; W33-H37 PolarHBondContact NE1-CD2 3.46Å; W33-H37 AromaticContact NE1-CE1 3.98Å; W33-H37 AromaticContact NE1-CG 3.92Å; W33-H37 AromaticContact NE1-NE2 3.15Å; W33-H37 PolarHBondContact NE1-NE2 3.16Å; W33-H37 VanDerWaalsContact NE1-NE2 3.15Å; W33-H37 WeakPolarHBondContact O-CB 3.24Å; W33-H37 PolarHBondContact O-N 2.99Å; W33-L38 HydrophobicContact CZ3-CD1 4.27Å
34	M	61.5	Low	59.4	Low	57 Å²	57	94.3 Å²	94.3	28%	0.281	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-42.4	174.3	-72.8	-72.8	-80	0	0	111.5	C30 R31 K36 L38	C30-M34 WeakPolarHBondContact O-CB 2.98Å; C30-M34 VanDerWaalsContact O-CG 3.3Å; C30-M34 WeakPolarHBondContact O-CG 3.44Å; C30-M34 PolarHBondContact O-N 3.08Å; R31-M34 PolarHBondContact O-N 3.08Å; M34-K36 VanDerWaalsContact C-N 3.33Å; M34-K36 PolarHBondContact O-N 2.82Å; M34-L38 HydrophobicContact CE-CD1 4.37Å; M34-L38 CarbonylContact O-C 3.42Å; M34-L38 VanDerWaalsContact O-C 3.29Å; M34-L38 WeakPolarHBondContact O-CA 3.46Å; M34-L38 WeakPolarHBondContact O-CB 3.42Å; M34-L38 PolarHBondContact O-N 3.02Å; M34-L38 HydrophobicContact SD-CD1 3.68Å
35	K	63	Low	59.6	Low	113 Å²	113	98.1 Å²	98.1	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-38.3	173.9	-76.5	172.8	179.2	-179.2	0	112.7	R31 E32 W33 F42	R31-K35 WeakPolarHBondContact O-CB 3.27Å; R31-K35 VanDerWaalsContact O-CG 3.25Å; R31-K35 WeakPolarHBondContact O-CG 3.1Å; R31-K35 PolarHBondContact O-N 2.83Å; E32-K35 PolarHBondContact O-N 2.96Å; W33-K35 VanDerWaalsContact C-N 3.33Å; W33-K35 PolarHBondContact O-N 3.38Å; K35-F42 HydrophobicContact CD-CE1 4.34Å; K35-F42 HydrophobicContact CD-CE2 4.45Å; K35-F42 HydrophobicContact CD-CZ 4.18Å; K35-F42 HydrophobicContact CG-CD1 3.87Å; K35-F42 HydrophobicContact CG-CD2 3.89Å; K35-F42 HydrophobicContact CG-CE1 3.89Å; K35-F42 HydrophobicContact CG-CE2 3.9Å; K35-F42 HydrophobicContact CG-CG 3.89Å; K35-F42 HydrophobicContact CG-CZ 3.91Å
36	K	65	Low	59	Low	156 Å²	156	93.3 Å²	93.3	68%	0.678	47%	0.465	S	S	*	.	H	α-helix	trans	-79.8	-40.8	-177.7	-73.9	170.4	-176.9	165.4	0	113.2	E32 W33 M34	E32-K36 WeakPolarHBondContact O-CB 3.39Å; E32-K36 VanDerWaalsContact O-CG 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 2.77Å; W33-K36 PolarHBondContact O-N 3.34Å; W33-K36 VanDerWaalsContact O-N 3.1Å; M34-K36 VanDerWaalsContact C-N 3.33Å; M34-K36 PolarHBondContact O-N 2.82Å
37	H	66.9	Low	58.9	Low	118 Å²	118	93.1 Å²	93.1	55%	0.546	47%	0.467	S	S	.	.	H	α-helix	trans	-90.6	-28.9	-175.6	-80.3	-89.8	0	0	0	113.4	W33	W33-H37 AromaticContact CD1-CD2 3.45Å; W33-H37 VanDerWaalsContact CD1-CD2 3.45Å; W33-H37 AromaticContact CD1-NE2 3.73Å; W33-H37 HydrophobicContact CD2-CB 4.4Å; W33-H37 AromaticContact CD2-CD2 3.75Å; W33-H37 AromaticContact CE2-CD2 3.29Å; W33-H37 AromaticContact CE2-CG 3.7Å; W33-H37 AromaticContact CE2-NE2 3.72Å; W33-H37 HydrophobicContact CE3-CB 4.45Å; W33-H37 AromaticContact CG-CD2 3.84Å; W33-H37 HydrophobicContact CH2-CB 4.3Å; W33-H37 HydrophobicContact CZ2-CB 4.21Å; W33-H37 AromaticContact CZ2-CD2 3.84Å; W33-H37 AromaticContact CZ2-CG 3.78Å; W33-H37 HydrophobicContact CZ3-CB 4.41Å; W33-H37 AromaticContact NE1-CD2 3.08Å; W33-H37 PolarHBondContact NE1-CD2 3.46Å; W33-H37 AromaticContact NE1-CE1 3.98Å; W33-H37 AromaticContact NE1-CG 3.92Å; W33-H37 AromaticContact NE1-NE2 3.15Å; W33-H37 PolarHBondContact NE1-NE2 3.16Å; W33-H37 VanDerWaalsContact NE1-NE2 3.15Å; W33-H37 WeakPolarHBondContact O-CB 3.24Å; W33-H37 PolarHBondContact O-N 2.99Å
38	L	54.3	Low	58.5	Low	58 Å²	58	95.7 Å²	95.7	30%	0.304	48%	0.479	S	S	.	.			trans	-135.6	60.9	-168.7	-69.9	156	0	0	0	111.5	W33 M34 V40 L41 F42	W33-L38 HydrophobicContact CZ3-CD1 4.27Å; M34-L38 HydrophobicContact CE-CD1 4.37Å; M34-L38 CarbonylContact O-C 3.42Å; M34-L38 VanDerWaalsContact O-C 3.29Å; M34-L38 WeakPolarHBondContact O-CA 3.46Å; M34-L38 WeakPolarHBondContact O-CB 3.42Å; M34-L38 PolarHBondContact O-N 3.02Å; M34-L38 HydrophobicContact SD-CD1 3.68Å; L38-V40 PolarHBondContact O-N 2.87Å; L38-L41 HydrophobicContact CB-CB 4.24Å; L38-L41 HydrophobicContact CD1-CD1 4.28Å; L38-L41 HydrophobicContact CD2-CD1 3.73Å; L38-L41 HydrophobicContact CD2-CG 4.23Å; L38-L41 HydrophobicContact CG-CD1 4.4Å; L38-L41 PolarHBondContact O-N 2.72Å; L38-F42 WeakPolarHBondContact O-CB 3.27Å; L38-F42 PolarHBondContact O-N 2.89Å
39	P	52.6	Low	57.7	Low	88 Å²	88	94.7 Å²	94.7	57%	0.571	48%	0.476	S	S	*	.	H	α-helix	trans	-61.3	-26.4	177	25.9	-34.4	0	0	0	112.5	A43	P39-A43 WeakPolarHBondContact O-CB 3.32Å; P39-A43 PolarHBondContact O-N 3.15Å
40	V	58.8	Low	56.7	Low	116 Å²	116	91.8 Å²	91.8	70%	0.703	47%	0.471	S	S	*	.	H	α-helix	trans	-73.3	-43.7	178.6	110.2	0	0	0	0	112.3	L38 E44	L38-V40 PolarHBondContact O-N 2.87Å; V40-E44 WeakPolarHBondContact O-CB 2.96Å; V40-E44 PolarHBondContact O-N 3.31Å; V40-E44 VanDerWaalsContact O-N 3.08Å
41	L	51.8	Low	55.7	Low	83 Å²	83	96.2 Å²	96.2	44%	0.435	49%	0.492	S	S	.	.	H	α-helix	trans	-75.6	-35.2	176.7	-67.1	179.3	0	0	0	111	L38 E44 L45	L38-L41 HydrophobicContact CB-CB 4.24Å; L38-L41 HydrophobicContact CD1-CD1 4.28Å; L38-L41 HydrophobicContact CD2-CD1 3.73Å; L38-L41 HydrophobicContact CD2-CG 4.23Å; L38-L41 HydrophobicContact CG-CD1 4.4Å; L38-L41 PolarHBondContact O-N 2.72Å; L41-E44 PolarHBondContact O-N 3.44Å; L41-L45 VanDerWaalsContact O-CB 3.24Å; L41-L45 WeakPolarHBondContact O-CB 3.25Å; L41-L45 PolarHBondContact O-N 3.03Å
42	F	55.6	Low	54.5	Low	60 Å²	60	94 Å²	94	26%	0.263	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-39.7	173.4	-172.8	-94.9	0	0	0	111.3	K35 L38 E44 S46	K35-F42 HydrophobicContact CD-CE1 4.34Å; K35-F42 HydrophobicContact CD-CE2 4.45Å; K35-F42 HydrophobicContact CD-CZ 4.18Å; K35-F42 HydrophobicContact CG-CD1 3.87Å; K35-F42 HydrophobicContact CG-CD2 3.89Å; K35-F42 HydrophobicContact CG-CE1 3.89Å; K35-F42 HydrophobicContact CG-CE2 3.9Å; K35-F42 HydrophobicContact CG-CG 3.89Å; K35-F42 HydrophobicContact CG-CZ 3.91Å; L38-F42 WeakPolarHBondContact O-CB 3.27Å; L38-F42 PolarHBondContact O-N 2.89Å; F42-E44 VanDerWaalsContact C-N 3.34Å; F42-S46 WeakPolarHBondContact O-CA 3.32Å; F42-S46 WeakPolarHBondContact O-CB 3.43Å; F42-S46 PolarHBondContact O-N 3.43Å
43	A	56.9	Low	53.1	Low	59 Å²	59	96.3 Å²	96.3	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-37.6	174.2	0	0	0	0	0	111.9	P39 A47	P39-A43 WeakPolarHBondContact O-CB 3.32Å; P39-A43 PolarHBondContact O-N 3.15Å; A43-A47 WeakPolarHBondContact O-CA 3.33Å; A43-A47 WeakPolarHBondContact O-CB 3.48Å; A43-A47 PolarHBondContact O-N 2.83Å
44	E	55.1	Low	51.6	Low	133 Å²	133	94 Å²	94	62%	0.621	52%	0.517	S	S	*	.	H	α-helix	trans	-72.4	-40.2	177.4	-169.1	165.4	82.6	0	0	112.5	V40 L41 F42 N48	V40-E44 WeakPolarHBondContact O-CB 2.96Å; V40-E44 PolarHBondContact O-N 3.31Å; V40-E44 VanDerWaalsContact O-N 3.08Å; L41-E44 PolarHBondContact O-N 3.44Å; F42-E44 VanDerWaalsContact C-N 3.34Å; E44-N48 WeakPolarHBondContact O-CB 3.38Å; E44-N48 PolarHBondContact O-N 3.1Å
45	L	50.5	Low	50.3	Low	105 Å²	105	95.5 Å²	95.5	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-75.7	-42	177.7	-171.3	64.8	0	0	0	112	L41 A47 N48 V49	L41-L45 VanDerWaalsContact O-CB 3.24Å; L41-L45 WeakPolarHBondContact O-CB 3.25Å; L41-L45 PolarHBondContact O-N 3.03Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-N48 CarbonylContact O-C 3.42Å; L45-N48 PolarHBondContact O-N 2.91Å; L45-N48 VanDerWaalsContact O-N 3.16Å; L45-V49 VanDerWaalsContact O-CG2 3.32Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 2.93Å
46	S	50.3	Low	49.1	Very low	37 Å²	37	94.6 Å²	94.6	26%	0.259	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-37.6	172.8	-164.6	0	0	0	0	110.5	F42 N48 V49 E50	F42-S46 WeakPolarHBondContact O-CA 3.32Å; F42-S46 WeakPolarHBondContact O-CB 3.43Å; F42-S46 PolarHBondContact O-N 3.43Å; S46-N48 VanDerWaalsContact C-N 3.3Å; S46-N48 PolarHBondContact O-N 3.03Å; S46-V49 PolarHBondContact O-N 3.33Å; S46-E50 VanDerWaalsContact O-CB 3.27Å; S46-E50 WeakPolarHBondContact O-CB 3Å; S46-E50 VanDerWaalsContact O-CG 3.27Å; S46-E50 WeakPolarHBondContact O-CG 3.31Å; S46-E50 PolarHBondContact O-N 2.81Å
47	A	49.7	Very low	47.5	Very low	57 Å²	57	93.2 Å²	93.2	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-37.8	170.6	0	0	0	0	0	111.2	A43 L45 L51	A43-A47 WeakPolarHBondContact O-CA 3.33Å; A43-A47 WeakPolarHBondContact O-CB 3.48Å; A43-A47 PolarHBondContact O-N 2.83Å; L45-A47 VanDerWaalsContact C-N 3.34Å; A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 PolarHBondContact O-N 3.44Å
48	N	46.5	Very low	45.8	Very low	100 Å²	100	95 Å²	95	54%	0.535	56%	0.557	S	S	.	*	H	α-helix	trans	-70.9	-34.2	175.2	-99.6	-39	0	0	0	113.8	E44 L45 S46 A52	E44-N48 WeakPolarHBondContact O-CB 3.38Å; E44-N48 PolarHBondContact O-N 3.1Å; L45-N48 CarbonylContact O-C 3.42Å; L45-N48 PolarHBondContact O-N 2.91Å; L45-N48 VanDerWaalsContact O-N 3.16Å; S46-N48 VanDerWaalsContact C-N 3.3Å; S46-N48 PolarHBondContact O-N 3.03Å; N48-A52 WeakPolarHBondContact O-CB 3.43Å; N48-A52 PolarHBondContact O-N 3.34Å
49	V	45.9	Very low	44.8	Very low	76 Å²	76	101.3 Å²	101.3	46%	0.461	59%	0.585	S	S	.	*	H	α-helix	trans	-75.5	-41.7	176.4	174.5	0	0	0	0	110.8	L45 S46 L51 A52 E53	L45-V49 VanDerWaalsContact O-CG2 3.32Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 2.93Å; S46-V49 PolarHBondContact O-N 3.33Å; V49-L51 VanDerWaalsContact C-N 3.28Å; V49-L51 PolarHBondContact O-N 2.99Å; V49-A52 PolarHBondContact O-N 3.25Å; V49-A52 VanDerWaalsContact O-N 3.15Å; V49-E53 PolarHBondContact O-N 3.37Å
50	E	42.7	Very low	43.9	Very low	138 Å²	138	102.6 Å²	102.6	65%	0.645	59%	0.587	S	S	*	*	H	α-helix	trans	-67.4	-29.2	172.1	-65.8	-146.2	121.9	0	0	111.5	S46 A54	S46-E50 VanDerWaalsContact O-CB 3.27Å; S46-E50 WeakPolarHBondContact O-CB 3Å; S46-E50 VanDerWaalsContact O-CG 3.27Å; S46-E50 WeakPolarHBondContact O-CG 3.31Å; S46-E50 PolarHBondContact O-N 2.81Å; E50-A54 WeakPolarHBondContact O-CA 2.99Å; E50-A54 WeakPolarHBondContact O-CB 3.31Å; E50-A54 PolarHBondContact O-N 2.91Å
51	L	41.7	Very low	42.9	Very low	119 Å²	119	104.6 Å²	104.6	62%	0.623	59%	0.586	S	S	*	*	H	α-helix	trans	-74.4	-27.2	172.1	-156.7	74.6	0	0	0	112.4	A47 V49 A55	A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 PolarHBondContact O-N 3.44Å; V49-L51 VanDerWaalsContact C-N 3.28Å; V49-L51 PolarHBondContact O-N 2.99Å; L51-A55 WeakPolarHBondContact O-CB 3.12Å; L51-A55 PolarHBondContact O-N 2.88Å; L51-A55 VanDerWaalsContact O-N 3.15Å
52	A	39	Very low	42.1	Very low	78 Å²	78	109.1 Å²	109.1	65%	0.645	60%	0.602	S	S	*	*	H	α-helix	trans	-75.5	-35.4	174.4	0	0	0	0	0	112.2	N48 V49	N48-A52 WeakPolarHBondContact O-CB 3.43Å; N48-A52 PolarHBondContact O-N 3.34Å; V49-A52 PolarHBondContact O-N 3.25Å; V49-A52 VanDerWaalsContact O-N 3.15Å
53	E	38.2	Very low	41.4	Very low	157 Å²	157	117.3 Å²	117.3	73%	0.734	63%	0.631	S	S	*	*	H	α-helix	trans	-83.3	-29.8	173.1	-70.5	-162.1	90.4	0	0	113.1	V49	V49-E53 PolarHBondContact O-N 3.37Å
54	A	37.6	Very low	40.4	Very low	66 Å²	66	123.4 Å²	123.4	55%	0.545	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-92	3.7	179.8	0	0	0	0	0	114.6	E50 S56 D57	E50-A54 WeakPolarHBondContact O-CA 2.99Å; E50-A54 WeakPolarHBondContact O-CB 3.31Å; E50-A54 PolarHBondContact O-N 2.91Å; A54-S56 PolarHBondContact O-N 3.25Å; A54-D57 PolarHBondContact O-N 3.34Å
55	A	35.2	Very low	39.8	Very low	89 Å²	89	126.3 Å²	126.3	74%	0.736	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-68.8	-8.5	166.1	0	0	0	0	0	112.5	L51	L51-A55 WeakPolarHBondContact O-CB 3.12Å; L51-A55 PolarHBondContact O-N 2.88Å; L51-A55 VanDerWaalsContact O-N 3.15Å
56	S	37.1	Very low	39.1	Very low	94 Å²	94	132.6 Å²	132.6	66%	0.657	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-115.3	60.8	166.8	75.7	0	0	0	0	111.9	A54	A54-S56 PolarHBondContact O-N 3.25Å
57	D	31.9	Very low	38.4	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	71%	0.705	S	S	*	*	S	Bend	trans	-173.2	124.7	135.1	-119.9	-121.1	0	0	0	111.7	A54	A54-D57 PolarHBondContact O-N 3.34Å
58	M	31.2	Very low	37.9	Very low	156 Å²	156	135.7 Å²	135.7	77%	0.768	72%	0.72	S	S	*	*			trans	70.1	96.1	148.3	-61.5	-70.1	-173.2	0	0	119.3	D60	M58-D60 PolarHBondContact O-N 2.76Å
59	E	33.4	Very low	37.9	Very low	190 Å²	190	141.7 Å²	141.7	89%	0.888	74%	0.741	S	S	*	*				-22	108.6	120	170.2	153.6	74.1	0	0	113.9
60	D	33.5	Very low	37.8	Very low	115 Å²	115	141.7 Å²	141.7	62%	0.615	75%	0.749	S	S	*	*			trans	-173.1	123	133.7	-159.3	-113.9	0	0	0	112.3	M58	M58-D60 PolarHBondContact O-N 2.76Å
61	K	36.8	Very low	37.8	Very low	158 Å²	158	139.8 Å²	139.8	69%	0.687	76%	0.757	S	S	*	*			trans	52.1	117.8	149.3	-96.9	106.8	178.2	-176.4	0	122.8
62	K	34.9	Very low	38	Very low	178 Å²	178	140 Å²	140	77%	0.774	76%	0.763	S	S	*	*				69.7	111.3	102	-169.9	-174.4	-175.5	177.8	0	117.9
63	R	40.4	Very low	38.2	Very low	231 Å²	231	144.6 Å²	144.6	87%	0.872	77%	0.768	S	S	*	*				-166.1	113.5	110	-121.6	164.8	177	-179.3	-0.1	116
64	Q	37.5	Very low	38.4	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	76%	0.764	S	S	*	*			trans	-67.2	131.5	155.9	-176.6	178.6	-70.2	0	0	111.3
65	K	42.1	Very low	38.6	Very low	194 Å²	194	146.4 Å²	146.4	84%	0.843	77%	0.772	S	S	*	*			trans	-156.7	95.2	151.7	-150.2	143.3	-177	178.3	0	114.6
66	R	35.8	Very low	39	Very low	238 Å²	238	149.4 Å²	149.4	90%	0.898	77%	0.768	S	S	*	*				42.2	103.6	124.3	-163.7	171.8	-177.7	176	-1.1	119.1
67	G	35.4	Very low	39.4	Very low	82 Å²	82	150.6 Å²	150.6	85%	0.845	77%	0.767	S	S	*	*				106.2	127.2	121.9	0	0	0	0	0	117.9
68	G	38.8	Very low	40.2	Very low	77 Å²	77	149.3 Å²	149.3	79%	0.794	77%	0.774	S	S	*	*			trans	153.2	100.9	156.7	0	0	0	0	0	114.8	A70	G68-A70 PolarHBondContact O-N 3.03Å
69	K	47.1	Very low	41.1	Very low	225 Å²	225	146.9 Å²	146.9	98%	0.978	76%	0.76	S	S	*	*			trans	-52.1	103.1	174.6	-69.3	142.7	61	-179.5	0	111.8
70	A	43.4	Very low	42.2	Very low	76 Å²	76	140.4 Å²	140.4	63%	0.628	73%	0.734	S	S	*	*			trans	-129.9	128.4	150.7	0	0	0	0	0	105	G68 V72	G68-A70 PolarHBondContact O-N 3.03Å; A70-V72 WeakPolarHBondContact O-CG2 3.26Å; A70-V72 PolarHBondContact O-N 3.31Å
71	A	43.6	Very low	43.5	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	73%	0.73	S	S	*	*			trans	-55.4	88.6	177.1	0	0	0	0	0	108.9	K73	A71-K73 PolarHBondContact O-N 2.82Å
72	V	44.9	Very low	44.9	Very low	124 Å²	124	133.6 Å²	133.6	75%	0.752	70%	0.702	S	S	*	*			trans	-63.8	87.4	159.2	-171.1	0	0	0	0	102.1	A70 P74	A70-V72 WeakPolarHBondContact O-CG2 3.26Å; A70-V72 PolarHBondContact O-N 3.31Å; V72-P74 VanDerWaalsContact C-N 3.29Å; V72-P74 WeakPolarHBondContact O-CD 3.03Å
73	K	43.5	Very low	47	Very low	173 Å²	173	125.1 Å²	125.1	75%	0.752	67%	0.665	S	S	*	*			trans	-37.3	110	148.9	-77.3	-178.9	-83.7	-158.1	0	103	A71 K75	A71-K73 PolarHBondContact O-N 2.82Å; K73-K75 PolarHBondContact O-N 3.47Å
74	P	42.5	Very low	48.9	Very low	98 Å²	98	117.2 Å²	117.2	64%	0.636	64%	0.64	S	S	*	*			trans	-64.1	94.8	178.9	26.4	-32.2	0	0	0	103.8	V72 K76	V72-P74 VanDerWaalsContact C-N 3.29Å; V72-P74 WeakPolarHBondContact O-CD 3.03Å; P74-K76 HydrophobicContact CB-CG 4.19Å; P74-K76 PolarHBondContact O-N 2.81Å
75	K	41.1	Very low	51.2	Low	163 Å²	163	108.6 Å²	108.6	71%	0.709	60%	0.6	S	S	*	*			trans	-66	74.5	158.8	-84.8	-157.3	169.2	-176	0	103.1	K73 L77	K73-K75 PolarHBondContact O-N 3.47Å; K75-L77 HydrophobicContact CB-CB 3.95Å; K75-L77 HydrophobicContact CB-CD1 3.73Å; K75-L77 HydrophobicContact CB-CG 4.33Å; K75-L77 HydrophobicContact CD-CD1 4Å; K75-L77 HydrophobicContact CD-CD2 4.05Å; K75-L77 HydrophobicContact CD-CG 4.5Å; K75-L77 HydrophobicContact CG-CD1 3.76Å; K75-L77 PolarHBondContact O-N 3.47Å
76	K	43.7	Very low	53.1	Low	152 Å²	152	100 Å²	100	66%	0.661	56%	0.564	S	S	*	*			trans	-61	80.1	156	-63.7	-178.4	178.8	-179.5	0	103.9	P74	P74-K76 HydrophobicContact CB-CG 4.19Å; P74-K76 PolarHBondContact O-N 2.81Å
77	L	46.7	Very low	55.4	Low	120 Å²	120	94.5 Å²	94.5	63%	0.628	54%	0.544	S	S	*	.			trans	-125.9	34.7	-161.2	-127.3	93	0	0	0	113.2	K75	K75-L77 HydrophobicContact CB-CB 3.95Å; K75-L77 HydrophobicContact CB-CD1 3.73Å; K75-L77 HydrophobicContact CB-CG 4.33Å; K75-L77 HydrophobicContact CD-CD1 4Å; K75-L77 HydrophobicContact CD-CD2 4.05Å; K75-L77 HydrophobicContact CD-CG 4.5Å; K75-L77 HydrophobicContact CG-CD1 3.76Å; K75-L77 PolarHBondContact O-N 3.47Å
78	A	48.5	Very low	57.5	Low	100 Å²	100	91.7 Å²	91.7	83%	0.826	51%	0.513	S	S	*	.	S	Bend	trans	-128.7	21.2	144.6	0	0	0	0	0	109.3	T80	A78-T80 PolarHBondContact O-N 3.31Å
79	E	50.7	Low	59.5	Low	104 Å²	104	91.3 Å²	91.3	49%	0.486	50%	0.496	S	S	.	.	S	Bend	trans	-71	105.1	173.5	-170.5	176.9	127	0	0	106.9	Q81 K156	E79-Q81 PolarHBondContact O-N 2.94Å; E79-Q81 VanDerWaalsContact O-N 3.08Å; E79-K156 VanDerWaalsContact CD-NZ 3.25Å; E79-K156 IonicContact OE1-NZ 2.87Å; E79-K156 PolarHBondContact OE1-NZ 3.15Å
80	T	55.9	Low	60.7	Low	55 Å²	55	88.8 Å²	88.8	34%	0.337	48%	0.48	S	S	.	.			trans	-19.7	106.8	173.9	48.9	0	0	0	0	112.5	A78 S104	A78-T80 PolarHBondContact O-N 3.31Å; T80-S104 VanDerWaalsContact CA-OG 3.31Å; T80-S104 WeakPolarHBondContact CA-OG 3.48Å
81	Q	60	Low	62.1	Low	114 Å²	114	86.6 Å²	86.6	53%	0.533	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-60.2	125.7	176.2	-71.3	-69.3	-29.8	0	0	106.9	E79 S104	E79-Q81 PolarHBondContact O-N 2.94Å; E79-Q81 VanDerWaalsContact O-N 3.08Å; Q81-S104 PolarHBondContact N-OG 2.8Å
82	P	67.2	Low	63.3	Low	16 Å²	16	88.3 Å²	88.3	10%	0.104	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-61.7	145	179.3	24.8	-32.8	0	0	0	109.6	I84 K156 R158	P82-I84 PolarHBondContact O-N 3.38Å; P82-K156 CarbonylContact C-O 3.58Å; P82-K156 WeakPolarHBondContact CA-O 3.25Å; P82-K156 HydrophobicContact CB-CB 4.01Å; P82-K156 WeakPolarHBondContact CB-O 3.25Å; P82-R158 HydrophobicContact CB-CB 4.25Å; P82-R158 HydrophobicContact CB-CG 3.76Å; P82-R158 HydrophobicContact CG-CG 4.14Å
83	I	77.6	Confident	64.7	Low	0 Å²	0	89.1 Å²	89.1	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.8	170.9	-64.2	-168.4	0	0	0	108.1	V99 Y105 M146 V153 K156 R158	I83-V99 HydrophobicContact CG2-CG1 3.71Å; I83-Y105 HydrophobicContact CD1-CD2 3.63Å; I83-Y105 HydrophobicContact CD1-CE2 3.32Å; I83-Y105 HydrophobicContact CG1-CD2 3.95Å; I83-Y105 HydrophobicContact CG1-CE2 3.25Å; I83-M146 HydrophobicContact CB-SD 4Å; I83-M146 HydrophobicContact CD1-CE 3.15Å; I83-M146 HydrophobicContact CD1-SD 3.33Å; I83-M146 WeakPolarHBondContact CD1-SD 3.47Å; I83-M146 HydrophobicContact CG1-CE 4.48Å; I83-M146 HydrophobicContact CG1-SD 4.17Å; I83-M146 HydrophobicContact CG2-SD 3.79Å; I83-V153 HydrophobicContact CD1-CB 4.43Å; I83-V153 HydrophobicContact CD1-CG1 3.6Å; I83-V153 HydrophobicContact CD1-CG2 3.86Å; I83-V153 HydrophobicContact CG1-CG1 4.16Å; I83-K156 PolarHBondContact N-O 3.13Å; I83-R158 PolarHBondContact O-N 3.47Å
84	I	82.1	Confident	66.3	Low	65 Å²	65	86.7 Å²	86.7	33%	0.333	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.2	179.3	-58.7	174.4	0	0	0	107.6	P82 S100 R158 K160	P82-I84 PolarHBondContact O-N 3.38Å; I84-S100 PolarHBondContact N-O 2.83Å; I84-S100 PolarHBondContact O-N 3.14Å; I84-R158 WeakPolarHBondContact CA-O 3.49Å; I84-K160 HydrophobicContact CG2-CB 4Å
85	L	84.5	Confident	68.1	Low	6 Å²	6	85.1 Å²	85.1	3%	0.031	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.3	171	-85.7	167	0	0	0	108.8	T97 V99 L142 F143 I157 R158 N159 K160	L85-T97 HydrophobicContact CD2-CG2 3.61Å; L85-V99 HydrophobicContact CD2-CG2 4.22Å; L85-L142 HydrophobicContact CD1-CD2 4.1Å; L85-L142 HydrophobicContact CD2-CB 4.3Å; L85-L142 HydrophobicContact CD2-CD2 3.18Å; L85-L142 HydrophobicContact CD2-CG 4.32Å; L85-L142 HydrophobicContact CG-CD2 3.8Å; L85-F143 HydrophobicContact CD1-CD2 4.38Å; L85-F143 HydrophobicContact CD1-CE2 3.74Å; L85-F143 HydrophobicContact CD1-CZ 3.91Å; L85-I157 HydrophobicContact CD1-CG2 3.38Å; L85-I157 HydrophobicContact CG-CG2 4.25Å; L85-R158 PolarHBondContact N-O 2.89Å; L85-N159 VanDerWaalsContact CB-OD1 3.24Å; L85-N159 WeakPolarHBondContact CB-OD1 3.35Å; L85-N159 WeakPolarHBondContact CD1-OD1 3.43Å; L85-K160 PolarHBondContact O-N 3.32Å
86	A	82.6	Confident	70.2	Confident	12 Å²	12	77.8 Å²	77.8	10%	0.099	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.8	173.3	0	0	0	0	0	110.4	I98	A86-I98 HydrophobicContact CB-CB 4.21Å; A86-I98 PolarHBondContact N-O 3.5Å; A86-I98 PolarHBondContact O-N 3.15Å
87	R	82.8	Confident	72.2	Confident	124 Å²	124	70.6 Å²	70.6	47%	0.468	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118	172	-179.4	176.4	169.2	-170.5	-0.4	108.8	F95	R87-F95 HydrophobicContact CG-CB 4.39Å; R87-F95 HydrophobicContact CG-CD1 4.24Å; R87-F95 VanDerWaalsContact NH2-CD1 3.35Å; R87-F95 VanDerWaalsContact NH2-CD2 3.28Å
88	A	81.5	Confident	74	Confident	23 Å²	23	67.1 Å²	67.1	19%	0.19	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.1	174.1	0	0	0	0	0	110.2	V96 I98	A88-V96 HydrophobicContact CB-CG1 3.76Å; A88-V96 PolarHBondContact N-O 3.4Å; A88-V96 WeakPolarHBondContact O-CG1 3.3Å; A88-V96 PolarHBondContact O-N 3.08Å; A88-I98 HydrophobicContact CB-CD1 4.29Å
89	P	80.8	Confident	75.8	Confident	68 Å²	68	62.4 Å²	62.4	44%	0.442	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	134.5	167.7	30.4	-31.2	0	0	0	109.5	F95	P89-F95 HydrophobicContact CB-CD1 4.47Å; P89-F95 HydrophobicContact CB-CE1 4.47Å
90	R	71.7	Confident	77.3	Confident	173 Å²	173	58.3 Å²	58.3	65%	0.653	29%	0.29	S	S	*	.			trans	-108.9	-4.5	171.4	-69	-71.4	-70	-116.1	0.8	112.6	K94 V96	R90-K94 PolarHBondContact N-O 2.96Å; R90-V96 HydrophobicContact CG-CB 3.72Å; R90-V96 HydrophobicContact CG-CG1 3.48Å; R90-V96 VanDerWaalsContact CG-CG1 3.48Å
91	G	73.3	Confident	78.3	Confident	30 Å²	30	56.2 Å²	56.2	31%	0.309	28%	0.279	S	S	.	.	S	Bend	trans	179.3	-169.5	177	0	0	0	0	0	111.7	N93 K94	G91-N93 PolarHBondContact O-N 3.48Å; G91-K94 PolarHBondContact N-O 2.95Å
92	K	67.2	Low	79	Confident	134 Å²	134	51 Å²	51	58%	0.583	26%	0.255	S	S	*	.	S	Bend	trans	-43.9	-57.1	-175.4	-70.7	178	-117.7	-145.3	0	113.7	Q170	K92-Q170 HydrophobicContact CD-CG 4.26Å; K92-Q170 VanDerWaalsContact CD-NE2 3.33Å; K92-Q170 VanDerWaalsContact CE-CG 3.41Å
93	N	74.6	Confident	79.1	Confident	142 Å²	142	54.5 Å²	54.5	76%	0.759	28%	0.28	S	S	*	.	S	Bend	trans	-125	8.5	-176.4	-67.2	20.6	0	0	0	112.6	G91	G91-N93 PolarHBondContact O-N 3.48Å
94	K	77.4	Confident	78.5	Confident	122 Å²	122	56.6 Å²	56.6	53%	0.53	30%	0.295	S	S	.	.			trans	-100.8	119	-177	-68.4	-174.5	-66.8	-160.6	0	110.1	R90 G91	R90-K94 PolarHBondContact N-O 2.96Å; G91-K94 PolarHBondContact N-O 2.95Å
95	F	80.4	Confident	77.6	Confident	64 Å²	64	53.7 Å²	53.7	28%	0.281	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.4	174.3	-59.2	-76.2	0	0	0	110.1	R87 P89 G136	R87-F95 HydrophobicContact CG-CB 4.39Å; R87-F95 HydrophobicContact CG-CD1 4.24Å; R87-F95 VanDerWaalsContact NH2-CD1 3.35Å; R87-F95 VanDerWaalsContact NH2-CD2 3.28Å; P89-F95 HydrophobicContact CB-CD1 4.47Å; P89-F95 HydrophobicContact CB-CE1 4.47Å; F95-G136 CarbonylContact O-C 3.46Å; F95-G136 VanDerWaalsContact O-CA 3.24Å; F95-G136 WeakPolarHBondContact O-CA 3.46Å; F95-G136 PolarHBondContact O-N 3.41Å
96	V	85.2	Confident	76.6	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.2	171	79	0	0	0	0	107.8	A88 R90 V133 I134	A88-V96 HydrophobicContact CB-CG1 3.76Å; A88-V96 PolarHBondContact N-O 3.4Å; A88-V96 WeakPolarHBondContact O-CG1 3.3Å; A88-V96 PolarHBondContact O-N 3.08Å; R90-V96 HydrophobicContact CG-CB 3.72Å; R90-V96 HydrophobicContact CG-CG1 3.48Å; R90-V96 VanDerWaalsContact CG-CG1 3.48Å; V96-V133 HydrophobicContact CB-CG1 4.45Å; V96-V133 HydrophobicContact CG1-CG1 4.43Å; V96-V133 HydrophobicContact CG2-CG1 3.2Å; V96-I134 WeakPolarHBondContact CG2-O 3.45Å
97	T	85	Confident	75.9	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.2	177.2	-52.7	0	0	0	0	108.2	L85 V99 I134 G136 V138	L85-T97 HydrophobicContact CD2-CG2 3.61Å; T97-V99 HydrophobicContact CG2-CG2 4.43Å; T97-I134 PolarHBondContact N-O 2.84Å; T97-I134 PolarHBondContact O-N 2.73Å; T97-G136 PolarHBondContact OG1-O 3.04Å; T97-V138 VanDerWaalsContact CB-CG2 3.49Å; T97-V138 HydrophobicContact CG2-CG2 4Å
98	I	85.9	Confident	75.6	Confident	46 Å²	46	57.3 Å²	57.3	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.6	174.6	-47.8	179.1	0	0	0	106.7	A86 A88 V133	A86-I98 HydrophobicContact CB-CB 4.21Å; A86-I98 PolarHBondContact N-O 3.5Å; A86-I98 PolarHBondContact O-N 3.15Å; A88-I98 HydrophobicContact CB-CD1 4.29Å; I98-V133 HydrophobicContact CB-CG2 4.47Å; I98-V133 HydrophobicContact CG1-CG2 4.1Å; I98-V133 HydrophobicContact CG2-CG2 4.13Å
99	V	85.1	Confident	75.2	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.1	175.6	-170.8	0	0	0	0	107	I83 L85 T97 E131 I132 I134 L142	I83-V99 HydrophobicContact CG2-CG1 3.71Å; L85-V99 HydrophobicContact CD2-CG2 4.22Å; T97-V99 HydrophobicContact CG2-CG2 4.43Å; V99-E131 WeakPolarHBondContact O-CA 3.43Å; V99-I132 PolarHBondContact N-O 2.88Å; V99-I132 PolarHBondContact O-N 3.02Å; V99-I134 HydrophobicContact CG2-CD1 4.18Å; V99-L142 HydrophobicContact CB-CD2 4.29Å; V99-L142 HydrophobicContact CG1-CD2 3.71Å; V99-L142 HydrophobicContact CG2-CD1 4.34Å; V99-L142 HydrophobicContact CG2-CD2 3.57Å
100	S	81.9	Confident	75.2	Confident	19 Å²	19	62.6 Å²	62.6	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.1	175.3	-43.3	0	0	0	0	109	I84 E131	I84-S100 PolarHBondContact N-O 2.83Å; I84-S100 PolarHBondContact O-N 3.14Å; S100-E131 PolarHBondContact OG-OE1 3.28Å
101	G	78.1	Confident	75.8	Confident	10 Å²	10	59 Å²	59	10%	0.103	32%	0.322	C	S	.	.			trans	109.2	20.8	-179.5	0	0	0	0	0	114.5	S103 Y105 D130	G101-S103 PolarHBondContact O-N 3.05Å; G101-Y105 WeakPolarHBondContact O-CD2 3.28Å; G101-Y105 WeakPolarHBondContact O-CE2 3.38Å; G101-D130 WeakPolarHBondContact CA-OD1 3.19Å; G101-D130 PolarHBondContact N-O 3.28Å; G101-D130 PolarHBondContact N-OD1 3.43Å
102	L	74.2	Confident	76.2	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.8	-13.4	166.1	-60.6	169.6	0	0	0	112.3	S104 Y105 S106 I107 L109 D130 I132	L102-S104 VanDerWaalsContact C-N 3.26Å; L102-S104 PolarHBondContact O-N 2.77Å; L102-Y105 PolarHBondContact O-N 2.98Å; L102-S106 PolarHBondContact O-N 3.11Å; L102-I107 HydrophobicContact CD2-CB 4.12Å; L102-I107 HydrophobicContact CD2-CD1 3.69Å; L102-I107 HydrophobicContact CD2-CG1 4.44Å; L102-I107 HydrophobicContact CD2-CG2 4.42Å; L102-L109 HydrophobicContact CD1-CD2 4.03Å; L102-D130 WeakPolarHBondContact CA-OD2 3.46Å; L102-D130 VanDerWaalsContact CB-OD2 3.28Å; L102-D130 WeakPolarHBondContact CB-OD2 3.46Å; L102-D130 PolarHBondContact N-OD1 3.13Å; L102-I132 HydrophobicContact CD1-CD1 3.47Å; L102-I132 VanDerWaalsContact CD1-CD1 3.47Å; L102-I132 HydrophobicContact CD1-CG1 3.69Å
103	S	68.9	Low	76.9	Confident	91 Å²	91	53.1 Å²	53.1	64%	0.636	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-70.3	-31.6	-168.8	168.2	0	0	0	0	110.3	G101 Y105 D130	G101-S103 PolarHBondContact O-N 3.05Å; S103-Y105 VanDerWaalsContact C-N 3.26Å; S103-Y105 PolarHBondContact O-N 2.87Å; S103-D130 WeakPolarHBondContact CA-OD2 3.32Å; S103-D130 VanDerWaalsContact CB-CG 3.4Å; S103-D130 VanDerWaalsContact CB-OD1 3.31Å; S103-D130 WeakPolarHBondContact CB-OD1 2.77Å; S103-D130 VanDerWaalsContact CB-OD2 3.26Å; S103-D130 WeakPolarHBondContact CB-OD2 3.24Å; S103-D130 PolarHBondContact N-OD1 2.88Å; S103-D130 PolarHBondContact N-OD2 2.97Å
104	S	65.7	Low	77.3	Confident	44 Å²	44	53.4 Å²	53.4	31%	0.308	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-76.2	-13.8	175.5	-167.7	0	0	0	0	113.5	T80 Q81 L102	T80-S104 VanDerWaalsContact CA-OG 3.31Å; T80-S104 WeakPolarHBondContact CA-OG 3.48Å; Q81-S104 PolarHBondContact N-OG 2.8Å; L102-S104 VanDerWaalsContact C-N 3.26Å; L102-S104 PolarHBondContact O-N 2.77Å
105	Y	62.8	Low	77.6	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.016	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	0.8	-169.5	-60.7	-65.5	0	0	0	113.6	I83 G101 L102 S103 I107 Q152 V153	I83-Y105 HydrophobicContact CD1-CD2 3.63Å; I83-Y105 HydrophobicContact CD1-CE2 3.32Å; I83-Y105 HydrophobicContact CG1-CD2 3.95Å; I83-Y105 HydrophobicContact CG1-CE2 3.25Å; G101-Y105 WeakPolarHBondContact O-CD2 3.28Å; G101-Y105 WeakPolarHBondContact O-CE2 3.38Å; L102-Y105 PolarHBondContact O-N 2.98Å; S103-Y105 VanDerWaalsContact C-N 3.26Å; S103-Y105 PolarHBondContact O-N 2.87Å; Y105-I107 VanDerWaalsContact CB-CD1 3.49Å; Y105-I107 VanDerWaalsContact CB-CG1 3.47Å; Y105-I107 HydrophobicContact CG-CD1 4.23Å; Y105-I107 WeakPolarHBondContact O-CG1 3.44Å; Y105-I107 PolarHBondContact O-N 2.93Å; Y105-Q152 HydrophobicContact CD1-CB 4.18Å; Y105-Q152 HydrophobicContact CD1-CG 3.61Å; Y105-Q152 HydrophobicContact CE1-CB 4.28Å; Y105-Q152 HydrophobicContact CE1-CG 4.1Å; Y105-Q152 WeakPolarHBondContact CE1-O 3.31Å; Y105-Q152 PolarHBondContact O-NE2 2.82Å; Y105-Q152 VanDerWaalsContact O-NE2 3.11Å; Y105-V153 HydrophobicContact CD1-CB 4.38Å; Y105-V153 HydrophobicContact CD1-CG2 3.38Å; Y105-V153 HydrophobicContact CD2-CG2 3.98Å; Y105-V153 HydrophobicContact CE1-CB 3.73Å; Y105-V153 HydrophobicContact CE1-CG1 4.42Å; Y105-V153 HydrophobicContact CE1-CG2 3.19Å; Y105-V153 HydrophobicContact CE2-CG2 3.86Å; Y105-V153 HydrophobicContact CG-CG2 3.74Å; Y105-V153 VanDerWaalsContact CZ-CG2 3.41Å; Y105-V153 WeakPolarHBondContact OH-CA 3.48Å
106	S	63.2	Low	77.8	Confident	106 Å²	106	47.1 Å²	47.1	74%	0.741	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	36.4	-176.5	52.5	0	0	0	0	111.9	L102 N108	L102-S106 PolarHBondContact O-N 3.11Å; S106-N108 PolarHBondContact O-N 2.71Å
107	I	68.4	Low	77.8	Confident	16 Å²	16	48.7 Å²	48.7	8%	0.082	27%	0.273	C	S	.	.			trans	-77.2	120.7	-175.8	-63.5	169.5	0	0	0	107.3	L102 Y105 L109 A112 W150	L102-I107 HydrophobicContact CD2-CB 4.12Å; L102-I107 HydrophobicContact CD2-CD1 3.69Å; L102-I107 HydrophobicContact CD2-CG1 4.44Å; L102-I107 HydrophobicContact CD2-CG2 4.42Å; Y105-I107 VanDerWaalsContact CB-CD1 3.49Å; Y105-I107 VanDerWaalsContact CB-CG1 3.47Å; Y105-I107 HydrophobicContact CG-CD1 4.23Å; Y105-I107 WeakPolarHBondContact O-CG1 3.44Å; Y105-I107 PolarHBondContact O-N 2.93Å; I107-L109 PolarHBondContact O-N 3.27Å; I107-L109 VanDerWaalsContact O-N 3.13Å; I107-A112 HydrophobicContact CG2-CB 3.67Å; I107-W150 HydrophobicContact CB-CZ2 4.28Å; I107-W150 HydrophobicContact CD1-CD2 3.96Å; I107-W150 HydrophobicContact CD1-CG 4.18Å; I107-W150 HydrophobicContact CD1-CZ2 4.09Å; I107-W150 HydrophobicContact CG1-CD2 4.06Å; I107-W150 HydrophobicContact CG1-CE3 4.29Å; I107-W150 HydrophobicContact CG1-CH2 3.91Å; I107-W150 HydrophobicContact CG1-CZ2 3.65Å; I107-W150 HydrophobicContact CG1-CZ3 4.22Å; I107-W150 HydrophobicContact CG2-CH2 4.36Å; I107-W150 HydrophobicContact CG2-CZ2 3.78Å
108	N	75.9	Confident	77.8	Confident	96 Å²	96	56.4 Å²	56.4	51%	0.513	31%	0.309	S	S	.	.			trans	-57.2	115.7	175.3	-75.4	-51.1	0	0	0	111.3	S106 K110 I111 A112	S106-N108 PolarHBondContact O-N 2.71Å; N108-K110 VanDerWaalsContact C-N 3.25Å; N108-K110 PolarHBondContact O-N 3.48Å; N108-I111 HydrophobicContact CB-CB 4.04Å; N108-I111 HydrophobicContact CB-CD1 3.73Å; N108-I111 HydrophobicContact CB-CG1 3.8Å; N108-I111 PolarHBondContact O-N 3.17Å; N108-A112 PolarHBondContact O-N 2.95Å
109	L	74.6	Confident	77.6	Confident	63 Å²	63	59.1 Å²	59.1	33%	0.33	32%	0.319	S	S	.	.	H	α-helix	trans	-52.7	-40.6	-178.5	-65.1	172.2	0	0	0	112.8	L102 I107 S113 V126 P129	L102-L109 HydrophobicContact CD1-CD2 4.03Å; I107-L109 PolarHBondContact O-N 3.27Å; I107-L109 VanDerWaalsContact O-N 3.13Å; L109-S113 VanDerWaalsContact O-CB 3.26Å; L109-S113 WeakPolarHBondContact O-CB 3.33Å; L109-S113 PolarHBondContact O-N 3.22Å; L109-V126 HydrophobicContact CD1-CG2 4.44Å; L109-V126 HydrophobicContact CD2-CG2 4.19Å; L109-P129 WeakPolarHBondContact CD1-O 3.1Å; L109-P129 WeakPolarHBondContact CD2-O 3.28Å
110	K	80.7	Confident	77.4	Confident	139 Å²	139	60.6 Å²	60.6	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-62.9	-42.4	176.5	-70.5	-175.8	-176	174.9	0	111.9	E17 N108 K114	E17-K110 IonicContact OE1-NZ 2.7Å; E17-K110 PolarHBondContact OE1-NZ 2.95Å; E17-K110 IonicContact OE2-NZ 3.68Å; N108-K110 VanDerWaalsContact C-N 3.25Å; N108-K110 PolarHBondContact O-N 3.48Å; K110-K114 WeakPolarHBondContact O-CG 3.45Å; K110-K114 PolarHBondContact O-N 3.03Å; K110-K114 VanDerWaalsContact O-N 3.16Å
111	I	83.6	Confident	77.3	Confident	98 Å²	98	64.2 Å²	64.2	50%	0.503	36%	0.356	S	S	.	.	H	α-helix	trans	-74.7	-44.5	-177.6	-57.4	178.2	0	0	0	110.1	N108 S113 K114 Y115	N108-I111 HydrophobicContact CB-CB 4.04Å; N108-I111 HydrophobicContact CB-CD1 3.73Å; N108-I111 HydrophobicContact CB-CG1 3.8Å; N108-I111 PolarHBondContact O-N 3.17Å; I111-S113 PolarHBondContact O-N 2.62Å; I111-K114 PolarHBondContact O-N 3.33Å; I111-Y115 WeakPolarHBondContact O-CB 3.28Å; I111-Y115 PolarHBondContact O-N 3.49Å
112	A	81.9	Confident	77.1	Confident	6 Å²	6	66 Å²	66	5%	0.05	37%	0.367	C	S	.	.	H	α-helix	trans	-59.1	-47.7	175.4	0	0	0	0	0	111.8	I107 N108 K114 Y115 F116 I132	I107-A112 HydrophobicContact CG2-CB 3.67Å; N108-A112 PolarHBondContact O-N 2.95Å; A112-K114 PolarHBondContact O-N 3.06Å; A112-Y115 PolarHBondContact O-N 1.96Å; A112-F116 HydrophobicContact CB-CD2 4.27Å; A112-F116 HydrophobicContact CB-CE2 4Å; A112-F116 WeakPolarHBondContact O-CB 3.44Å; A112-F116 WeakPolarHBondContact O-CD2 3.45Å; A112-F116 VanDerWaalsContact O-CG 3.31Å; A112-F116 WeakPolarHBondContact O-CG 3.5Å; A112-F116 PolarHBondContact O-N 3.37Å; A112-I132 HydrophobicContact CB-CD1 3.6Å
113	S	80.9	Confident	77.4	Confident	33 Å²	33	67.3 Å²	67.3	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-59.3	-48	178	176.2	0	0	0	0	111.7	L109 I111 Y115 F116 A117 S124	L109-S113 VanDerWaalsContact O-CB 3.26Å; L109-S113 WeakPolarHBondContact O-CB 3.33Å; L109-S113 PolarHBondContact O-N 3.22Å; I111-S113 PolarHBondContact O-N 2.62Å; S113-Y115 PolarHBondContact O-N 3.24Å; S113-F116 PolarHBondContact O-N 3.36Å; S113-A117 WeakPolarHBondContact O-CB 3.42Å; S113-A117 PolarHBondContact O-N 3.03Å; S113-S124 WeakPolarHBondContact CA-OG 3.47Å; S113-S124 PolarHBondContact O-OG 2.81Å; S113-S124 PolarHBondContact OG-OG 3.24Å; S113-S124 VanDerWaalsContact OG-OG 3.06Å
114	K	83.3	Confident	77.9	Confident	148 Å²	148	64 Å²	64	64%	0.643	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-42.7	175.9	-75.5	-176.3	175.2	-177.9	0	112.6	K110 I111 A112 A117 Q118	K110-K114 WeakPolarHBondContact O-CG 3.45Å; K110-K114 PolarHBondContact O-N 3.03Å; K110-K114 VanDerWaalsContact O-N 3.16Å; I111-K114 PolarHBondContact O-N 3.33Å; A112-K114 PolarHBondContact O-N 3.06Å; K114-A117 PolarHBondContact O-N 3.34Å; K114-Q118 WeakPolarHBondContact O-CB 3.22Å; K114-Q118 WeakPolarHBondContact O-CG 3.4Å; K114-Q118 PolarHBondContact O-N 3.14Å
115	Y	84	Confident	78.7	Confident	41 Å²	41	64.3 Å²	64.3	16%	0.161	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-45.9	-180	-175.1	-102.4	0	0	0	111.7	I111 A112 S113 A117 Q118 K119 L145	I111-Y115 WeakPolarHBondContact O-CB 3.28Å; I111-Y115 PolarHBondContact O-N 3.49Å; A112-Y115 PolarHBondContact O-N 1.96Å; S113-Y115 PolarHBondContact O-N 3.24Å; Y115-A117 PolarHBondContact O-N 3.43Å; Y115-Q118 PolarHBondContact O-N 2.85Å; Y115-K119 HydrophobicContact CD1-CG 4.29Å; Y115-K119 HydrophobicContact CD2-CG 4.41Å; Y115-K119 HydrophobicContact CE1-CG 3.96Å; Y115-K119 HydrophobicContact CE2-CG 4.08Å; Y115-K119 WeakPolarHBondContact O-CB 3.03Å; Y115-K119 WeakPolarHBondContact O-CG 2.83Å; Y115-K119 PolarHBondContact O-N 3.01Å; Y115-K119 VanDerWaalsContact OH-CE 3.25Å; Y115-K119 WeakPolarHBondContact OH-CE 2.74Å; Y115-L145 HydrophobicContact CE1-CD1 3.98Å; Y115-L145 HydrophobicContact CE1-CD2 3.87Å; Y115-L145 HydrophobicContact CE1-CG 4.46Å; Y115-L145 WeakPolarHBondContact OH-CD2 3.37Å
116	F	84.9	Confident	79.7	Confident	14 Å²	14	67.9 Å²	67.9	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-40.4	174.8	-67.4	-46.2	0	0	0	111.8	A112 S113 Q118 F120 I132 I134 L142 L145	A112-F116 HydrophobicContact CB-CD2 4.27Å; A112-F116 HydrophobicContact CB-CE2 4Å; A112-F116 WeakPolarHBondContact O-CB 3.44Å; A112-F116 WeakPolarHBondContact O-CD2 3.45Å; A112-F116 VanDerWaalsContact O-CG 3.31Å; A112-F116 WeakPolarHBondContact O-CG 3.5Å; A112-F116 PolarHBondContact O-N 3.37Å; S113-F116 PolarHBondContact O-N 3.36Å; F116-Q118 PolarHBondContact O-N 3.3Å; F116-F120 HydrophobicContact CB-CD2 4.14Å; F116-F120 HydrophobicContact CB-CE2 4.48Å; F116-F120 HydrophobicContact CD1-CD2 4.18Å; F116-F120 AromaticContact CD1-CE2 3.69Å; F116-F120 HydrophobicContact CD1-CE2 3.69Å; F116-F120 HydrophobicContact CE1-CE2 4.4Å; F116-F120 HydrophobicContact CG-CE2 4.48Å; F116-F120 VanDerWaalsContact O-CB 3.31Å; F116-F120 WeakPolarHBondContact O-CB 3.46Å; F116-F120 VanDerWaalsContact O-CD2 3.23Å; F116-F120 WeakPolarHBondContact O-CD2 3.27Å; F116-F120 PolarHBondContact O-N 2.91Å; F116-I132 HydrophobicContact CD2-CD1 4.08Å; F116-I132 HydrophobicContact CD2-CG2 4.07Å; F116-I132 HydrophobicContact CE2-CD1 3.9Å; F116-I132 HydrophobicContact CE2-CG2 4.43Å; F116-I134 HydrophobicContact CB-CD1 4.08Å; F116-I134 HydrophobicContact CB-CG1 4.49Å; F116-I134 HydrophobicContact CD1-CD1 3.87Å; F116-I134 HydrophobicContact CD2-CD1 3.95Å; F116-I134 HydrophobicContact CE1-CD1 4.23Å; F116-I134 HydrophobicContact CE2-CD1 4.32Å; F116-I134 HydrophobicContact CG-CD1 3.7Å; F116-I134 HydrophobicContact CG-CG1 4.49Å; F116-I134 HydrophobicContact CZ-CD1 4.44Å; F116-L142 HydrophobicContact CE1-CD1 3.56Å; F116-L142 HydrophobicContact CZ-CD1 3.84Å; F116-L145 HydrophobicContact CD1-CD1 4.25Å; F116-L145 HydrophobicContact CE1-CD1 4.09Å
117	A	84.6	Confident	80.6	Confident	42 Å²	42	67.5 Å²	67.5	35%	0.347	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-39.6	176.2	0	0	0	0	0	112.6	S113 K114 Y115 A121 C122	S113-A117 WeakPolarHBondContact O-CB 3.42Å; S113-A117 PolarHBondContact O-N 3.03Å; K114-A117 PolarHBondContact O-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.43Å; A117-A121 VanDerWaalsContact O-CA 3.29Å; A117-A121 WeakPolarHBondContact O-CA 3.47Å; A117-A121 PolarHBondContact O-N 3.19Å; A117-A121 VanDerWaalsContact O-N 3.15Å; A117-C122 WeakPolarHBondContact CA-O 3.38Å
118	Q	85.3	Confident	81.1	Confident	163 Å²	163	67.5 Å²	67.5	76%	0.762	38%	0.38	S	S	*	.	H	α-helix	trans	-73	-43	178.5	-75.2	-178.6	-51.4	0	0	113.2	K114 Y115 F116	K114-Q118 WeakPolarHBondContact O-CB 3.22Å; K114-Q118 WeakPolarHBondContact O-CG 3.4Å; K114-Q118 PolarHBondContact O-N 3.14Å; Y115-Q118 PolarHBondContact O-N 2.85Å; F116-Q118 PolarHBondContact O-N 3.3Å
119	K	82.2	Confident	81.2	Confident	103 Å²	103	68.6 Å²	68.6	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-70.2	-45.1	-178.5	-79.1	-73.2	-167.1	150.9	0	112.2	Y115 L145 E148	Y115-K119 HydrophobicContact CD1-CG 4.29Å; Y115-K119 HydrophobicContact CD2-CG 4.41Å; Y115-K119 HydrophobicContact CE1-CG 3.96Å; Y115-K119 HydrophobicContact CE2-CG 4.08Å; Y115-K119 WeakPolarHBondContact O-CB 3.03Å; Y115-K119 WeakPolarHBondContact O-CG 2.83Å; Y115-K119 PolarHBondContact O-N 3.01Å; Y115-K119 VanDerWaalsContact OH-CE 3.25Å; Y115-K119 WeakPolarHBondContact OH-CE 2.74Å; K119-L145 HydrophobicContact CD-CD2 4.42Å; K119-L145 HydrophobicContact CG-CD2 4.49Å; K119-E148 IonicContact NZ-OE1 3.61Å
120	F	80.9	Confident	81.5	Confident	32 Å²	32	67.3 Å²	67.3	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-87.2	-13.6	-175.8	-68	-65.1	0	0	0	114.4	F116 C122 I134 V138 D141 L145	F116-F120 HydrophobicContact CB-CD2 4.14Å; F116-F120 HydrophobicContact CB-CE2 4.48Å; F116-F120 HydrophobicContact CD1-CD2 4.18Å; F116-F120 AromaticContact CD1-CE2 3.69Å; F116-F120 HydrophobicContact CD1-CE2 3.69Å; F116-F120 HydrophobicContact CE1-CE2 4.4Å; F116-F120 HydrophobicContact CG-CE2 4.48Å; F116-F120 VanDerWaalsContact O-CB 3.31Å; F116-F120 WeakPolarHBondContact O-CB 3.46Å; F116-F120 VanDerWaalsContact O-CD2 3.23Å; F116-F120 WeakPolarHBondContact O-CD2 3.27Å; F116-F120 PolarHBondContact O-N 2.91Å; F120-C122 HydrophobicContact CB-CB 3.68Å; F120-C122 PolarHBondContact O-N 2.82Å; F120-C122 PolarHBondContact O-SG 2.87Å; F120-I134 HydrophobicContact CD2-CG2 4.19Å; F120-I134 HydrophobicContact CE2-CD1 4.19Å; F120-V138 HydrophobicContact CB-CG1 4.35Å; F120-V138 HydrophobicContact CD1-CB 3.98Å; F120-V138 HydrophobicContact CD1-CG1 3.27Å; F120-V138 HydrophobicContact CD2-CB 4.39Å; F120-V138 HydrophobicContact CD2-CG1 3.92Å; F120-V138 HydrophobicContact CE1-CB 3.42Å; F120-V138 VanDerWaalsContact CE1-CB 3.42Å; F120-V138 HydrophobicContact CE1-CG1 3.27Å; F120-V138 HydrophobicContact CE2-CB 3.92Å; F120-V138 HydrophobicContact CE2-CG1 3.95Å; F120-V138 HydrophobicContact CE2-CG2 4.49Å; F120-V138 HydrophobicContact CG-CB 4.42Å; F120-V138 HydrophobicContact CG-CG1 3.59Å; F120-V138 HydrophobicContact CZ-CB 3.4Å; F120-V138 HydrophobicContact CZ-CG1 3.65Å; F120-V138 HydrophobicContact CZ-CG2 4.33Å; F120-D141 HydrophobicContact CD1-CB 4.4Å; F120-D141 HydrophobicContact CE1-CB 3.19Å; F120-D141 WeakPolarHBondContact CE1-OD1 3.5Å; F120-D141 HydrophobicContact CZ-CB 3.47Å; F120-D141 VanDerWaalsContact CZ-CB 3.47Å; F120-D141 WeakPolarHBondContact CZ-OD1 3.43Å; F120-L145 HydrophobicContact CE2-CD1 4.03Å; F120-L145 HydrophobicContact CZ-CD1 4.02Å
121	A	80.4	Confident	81.6	Confident	95 Å²	95	64.5 Å²	64.5	79%	0.785	38%	0.375	S	S	*	.	S	Bend	trans	48	21.9	-161.1	0	0	0	0	0	112.6	A117	A117-A121 VanDerWaalsContact O-CA 3.29Å; A117-A121 WeakPolarHBondContact O-CA 3.47Å; A117-A121 PolarHBondContact O-N 3.19Å; A117-A121 VanDerWaalsContact O-N 3.15Å
122	C	72.9	Confident	81.8	Confident	47 Å²	47	59.9 Å²	59.9	32%	0.318	35%	0.351	S	S	.	.	S	Bend	trans	-115.3	148.1	-175.3	-70.2	0	0	0	0	109.8	A117 F120 S124 Q135	A117-C122 WeakPolarHBondContact CA-O 3.38Å; F120-C122 HydrophobicContact CB-CB 3.68Å; F120-C122 PolarHBondContact O-N 2.82Å; F120-C122 PolarHBondContact O-SG 2.87Å; C122-S124 PolarHBondContact O-N 2.97Å; C122-S124 VanDerWaalsContact O-N 3.13Å; C122-Q135 VanDerWaalsContact CB-O 3.25Å; C122-Q135 WeakPolarHBondContact CB-O 3.05Å
123	G	79.9	Confident	82	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	35%	0.352	S	S	.	.			trans	-60	117.4	176.7	0	0	0	0	0	111	Q135	G123-Q135 WeakPolarHBondContact O-CG 3.11Å; G123-Q135 PolarHBondContact O-N 3.01Å
124	S	80.4	Confident	82.2	Confident	21 Å²	21	58.6 Å²	58.6	15%	0.147	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.1	166.2	76	0	0	0	0	108.2	S113 C122	S113-S124 WeakPolarHBondContact CA-OG 3.47Å; S113-S124 PolarHBondContact O-OG 2.81Å; S113-S124 PolarHBondContact OG-OG 3.24Å; S113-S124 VanDerWaalsContact OG-OG 3.06Å; C122-S124 PolarHBondContact O-N 2.97Å; C122-S124 VanDerWaalsContact O-N 3.13Å
125	S	81.5	Confident	82.1	Confident	51 Å²	51	57.3 Å²	57.3	36%	0.357	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.9	-179.8	56	0	0	0	0	109.2	T127 V133	S125-T127 PolarHBondContact O-N 2.77Å; S125-V133 PolarHBondContact N-O 3.37Å; S125-V133 PolarHBondContact O-N 3.32Å; S125-V133 PolarHBondContact OG-O 2.85Å
126	V	83.6	Confident	82.1	Confident	79 Å²	79	56.4 Å²	56.4	48%	0.479	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.9	171.6	61.5	0	0	0	0	107.8	L109 G128	L109-V126 HydrophobicContact CD1-CG2 4.44Å; L109-V126 HydrophobicContact CD2-CG2 4.19Å; V126-G128 WeakPolarHBondContact CG2-O 3.3Å
127	T	82	Confident	81.9	Confident	98 Å²	98	60.8 Å²	60.8	60%	0.601	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	-31.8	179	-65.2	0	0	0	0	111.5	S125 E131 V133	S125-T127 PolarHBondContact O-N 2.77Å; T127-E131 PolarHBondContact N-O 3.19Å; T127-V133 WeakPolarHBondContact OG1-CG2 3.36Å
128	G	78.6	Confident	81.7	Confident	16 Å²	16	59.1 Å²	59.1	17%	0.165	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	179.7	178.9	0	0	0	0	0	111.7	V126 D130 E131	V126-G128 WeakPolarHBondContact CG2-O 3.3Å; G128-D130 PolarHBondContact O-N 2.87Å; G128-E131 PolarHBondContact N-O 2.7Å; G128-E131 PolarHBondContact O-N 2.95Å
129	P	78.2	Confident	81.4	Confident	118 Å²	118	54.7 Å²	54.7	77%	0.766	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.1	178.7	28.5	-35.9	0	0	0	113	L109	L109-P129 WeakPolarHBondContact CD1-O 3.1Å; L109-P129 WeakPolarHBondContact CD2-O 3.28Å
130	D	81	Confident	81.5	Confident	36 Å²	36	54.7 Å²	54.7	19%	0.193	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	11.4	-176.1	-152.2	-115.8	0	0	0	114	G101 L102 S103 G128	G101-D130 WeakPolarHBondContact CA-OD1 3.19Å; G101-D130 PolarHBondContact N-O 3.28Å; G101-D130 PolarHBondContact N-OD1 3.43Å; L102-D130 WeakPolarHBondContact CA-OD2 3.46Å; L102-D130 VanDerWaalsContact CB-OD2 3.28Å; L102-D130 WeakPolarHBondContact CB-OD2 3.46Å; L102-D130 PolarHBondContact N-OD1 3.13Å; S103-D130 WeakPolarHBondContact CA-OD2 3.32Å; S103-D130 VanDerWaalsContact CB-CG 3.4Å; S103-D130 VanDerWaalsContact CB-OD1 3.31Å; S103-D130 WeakPolarHBondContact CB-OD1 2.77Å; S103-D130 VanDerWaalsContact CB-OD2 3.26Å; S103-D130 WeakPolarHBondContact CB-OD2 3.24Å; S103-D130 PolarHBondContact N-OD1 2.88Å; S103-D130 PolarHBondContact N-OD2 2.97Å; G128-D130 PolarHBondContact O-N 2.87Å
131	E	84.2	Confident	81.6	Confident	81 Å²	81	56 Å²	56	38%	0.379	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.9	-169.5	-58.4	-166.8	95.2	0	0	110	V99 S100 T127 G128	V99-E131 WeakPolarHBondContact O-CA 3.43Å; S100-E131 PolarHBondContact OG-OE1 3.28Å; T127-E131 PolarHBondContact N-O 3.19Å; G128-E131 PolarHBondContact N-O 2.7Å; G128-E131 PolarHBondContact O-N 2.95Å
132	I	86.4	Confident	81.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.2	175.8	-62.8	177	0	0	0	108.7	V99 L102 A112 F116 I134	V99-I132 PolarHBondContact N-O 2.88Å; V99-I132 PolarHBondContact O-N 3.02Å; L102-I132 HydrophobicContact CD1-CD1 3.47Å; L102-I132 VanDerWaalsContact CD1-CD1 3.47Å; L102-I132 HydrophobicContact CD1-CG1 3.69Å; A112-I132 HydrophobicContact CB-CD1 3.6Å; F116-I132 HydrophobicContact CD2-CD1 4.08Å; F116-I132 HydrophobicContact CD2-CG2 4.07Å; F116-I132 HydrophobicContact CE2-CD1 3.9Å; F116-I132 HydrophobicContact CE2-CG2 4.43Å; I132-I134 HydrophobicContact CG2-CD1 4.49Å; I132-I134 HydrophobicContact CG2-CG1 3.91Å
133	V	86.5	Confident	82.1	Confident	12 Å²	12	52.7 Å²	52.7	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.1	177.5	176.7	0	0	0	0	107.5	V96 I98 S125 T127	V96-V133 HydrophobicContact CB-CG1 4.45Å; V96-V133 HydrophobicContact CG1-CG1 4.43Å; V96-V133 HydrophobicContact CG2-CG1 3.2Å; I98-V133 HydrophobicContact CB-CG2 4.47Å; I98-V133 HydrophobicContact CG1-CG2 4.1Å; I98-V133 HydrophobicContact CG2-CG2 4.13Å; S125-V133 PolarHBondContact N-O 3.37Å; S125-V133 PolarHBondContact O-N 3.32Å; S125-V133 PolarHBondContact OG-O 2.85Å; T127-V133 WeakPolarHBondContact OG1-CG2 3.36Å
134	I	86.4	Confident	82.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.3	-179	-53.3	169.6	0	0	0	108.5	V96 T97 V99 F116 F120 I132 G136 V138	V96-I134 WeakPolarHBondContact CG2-O 3.45Å; T97-I134 PolarHBondContact N-O 2.84Å; T97-I134 PolarHBondContact O-N 2.73Å; V99-I134 HydrophobicContact CG2-CD1 4.18Å; F116-I134 HydrophobicContact CB-CD1 4.08Å; F116-I134 HydrophobicContact CB-CG1 4.49Å; F116-I134 HydrophobicContact CD1-CD1 3.87Å; F116-I134 HydrophobicContact CD2-CD1 3.95Å; F116-I134 HydrophobicContact CE1-CD1 4.23Å; F116-I134 HydrophobicContact CE2-CD1 4.32Å; F116-I134 HydrophobicContact CG-CD1 3.7Å; F116-I134 HydrophobicContact CG-CG1 4.49Å; F116-I134 HydrophobicContact CZ-CD1 4.44Å; F120-I134 HydrophobicContact CD2-CG2 4.19Å; F120-I134 HydrophobicContact CE2-CD1 4.19Å; I132-I134 HydrophobicContact CG2-CD1 4.49Å; I132-I134 HydrophobicContact CG2-CG1 3.91Å; I134-G136 PolarHBondContact O-N 2.9Å; I134-V138 HydrophobicContact CB-CG1 4.47Å; I134-V138 HydrophobicContact CB-CG2 3.65Å; I134-V138 HydrophobicContact CD1-CG2 3.82Å; I134-V138 HydrophobicContact CG1-CG2 4.3Å; I134-V138 HydrophobicContact CG2-CB 4.23Å; I134-V138 HydrophobicContact CG2-CG1 3.59Å; I134-V138 HydrophobicContact CG2-CG2 3.7Å
135	Q	81.1	Confident	82	Confident	121 Å²	121	54.8 Å²	54.8	57%	0.565	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.3	174.8	-63	179.4	-3.4	0	0	109.3	C122 G123	C122-Q135 VanDerWaalsContact CB-O 3.25Å; C122-Q135 WeakPolarHBondContact CB-O 3.05Å; G123-Q135 WeakPolarHBondContact O-CG 3.11Å; G123-Q135 PolarHBondContact O-N 3.01Å
136	G	83	Confident	81.7	Confident	22 Å²	22	52.8 Å²	52.8	23%	0.227	29%	0.291	C	S	.	.	S	Bend	trans	109.8	171.1	-178.2	0	0	0	0	0	114.9	F95 T97 I134 V138	F95-G136 CarbonylContact O-C 3.46Å; F95-G136 VanDerWaalsContact O-CA 3.24Å; F95-G136 WeakPolarHBondContact O-CA 3.46Å; F95-G136 PolarHBondContact O-N 3.41Å; T97-G136 PolarHBondContact OG1-O 3.04Å; I134-G136 PolarHBondContact O-N 2.9Å; G136-V138 VanDerWaalsContact C-N 3.26Å; G136-V138 PolarHBondContact O-N 3.29Å; G136-V138 VanDerWaalsContact O-N 3.13Å
137	D	79.9	Confident	81.2	Confident	107 Å²	107	52.3 Å²	52.3	57%	0.572	29%	0.29	S	S	*	.			trans	-82.8	63	174	46.4	-80.1	0	0	0	112.3	K139	D137-K139 PolarHBondContact O-N 2.78Å
138	V	81.4	Confident	80.8	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.042	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	18.2	177.3	-59.7	0	0	0	0	114.1	T97 F120 I134 G136 L142	T97-V138 VanDerWaalsContact CB-CG2 3.49Å; T97-V138 HydrophobicContact CG2-CG2 4Å; F120-V138 HydrophobicContact CB-CG1 4.35Å; F120-V138 HydrophobicContact CD1-CB 3.98Å; F120-V138 HydrophobicContact CD1-CG1 3.27Å; F120-V138 HydrophobicContact CD2-CB 4.39Å; F120-V138 HydrophobicContact CD2-CG1 3.92Å; F120-V138 HydrophobicContact CE1-CB 3.42Å; F120-V138 VanDerWaalsContact CE1-CB 3.42Å; F120-V138 HydrophobicContact CE1-CG1 3.27Å; F120-V138 HydrophobicContact CE2-CB 3.92Å; F120-V138 HydrophobicContact CE2-CG1 3.95Å; F120-V138 HydrophobicContact CE2-CG2 4.49Å; F120-V138 HydrophobicContact CG-CB 4.42Å; F120-V138 HydrophobicContact CG-CG1 3.59Å; F120-V138 HydrophobicContact CZ-CB 3.4Å; F120-V138 HydrophobicContact CZ-CG1 3.65Å; F120-V138 HydrophobicContact CZ-CG2 4.33Å; I134-V138 HydrophobicContact CB-CG1 4.47Å; I134-V138 HydrophobicContact CB-CG2 3.65Å; I134-V138 HydrophobicContact CD1-CG2 3.82Å; I134-V138 HydrophobicContact CG1-CG2 4.3Å; I134-V138 HydrophobicContact CG2-CB 4.23Å; I134-V138 HydrophobicContact CG2-CG1 3.59Å; I134-V138 HydrophobicContact CG2-CG2 3.7Å; G136-V138 VanDerWaalsContact C-N 3.26Å; G136-V138 PolarHBondContact O-N 3.29Å; G136-V138 VanDerWaalsContact O-N 3.13Å; V138-L142 VanDerWaalsContact O-CB 3.28Å; V138-L142 WeakPolarHBondContact O-CB 3.37Å; V138-L142 PolarHBondContact O-N 2.93Å
139	K	78.8	Confident	80.3	Confident	69 Å²	69	56.9 Å²	56.9	30%	0.3	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-51.1	-177.3	173.6	178.1	153.4	-67.6	0	110.2	D137 L142 F143 N159	D137-K139 PolarHBondContact O-N 2.78Å; K139-L142 PolarHBondContact O-N 3.18Å; K139-F143 HydrophobicContact CD-CE2 4.26Å; K139-F143 HydrophobicContact CG-CD2 3.88Å; K139-F143 HydrophobicContact CG-CE2 3.67Å; K139-F143 WeakPolarHBondContact O-CD2 3.06Å; K139-F143 PolarHBondContact O-N 3.13Å; K139-N159 WeakPolarHBondContact CE-ND2 3.29Å
140	D	83.6	Confident	79.7	Confident	104 Å²	104	54.8 Å²	54.8	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-73.4	-36.5	-170.7	-57.3	-58.4	0	0	0	111.9	F143 D144	D140-F143 WeakPolarHBondContact O-CB 3.46Å; D140-F143 PolarHBondContact O-N 3.46Å; D140-D144 PolarHBondContact O-N 3.01Å
141	D	83.7	Confident	78.8	Confident	58 Å²	58	58.2 Å²	58.2	31%	0.31	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-35.7	170.8	-169.2	-83.3	0	0	0	111.9	F120 F143 D144 L145	F120-D141 HydrophobicContact CD1-CB 4.4Å; F120-D141 HydrophobicContact CE1-CB 3.19Å; F120-D141 WeakPolarHBondContact CE1-OD1 3.5Å; F120-D141 HydrophobicContact CZ-CB 3.47Å; F120-D141 VanDerWaalsContact CZ-CB 3.47Å; F120-D141 WeakPolarHBondContact CZ-OD1 3.43Å; D141-F143 VanDerWaalsContact C-N 3.26Å; D141-F143 PolarHBondContact O-N 2.91Å; D141-D144 CarbonylContact O-C 3.59Å; D141-D144 WeakPolarHBondContact O-CA 3.24Å; D141-D144 WeakPolarHBondContact O-CB 3.08Å; D141-D144 PolarHBondContact O-N 3.41Å; D141-L145 WeakPolarHBondContact O-CB 3.01Å; D141-L145 WeakPolarHBondContact O-CG 3.43Å; D141-L145 PolarHBondContact O-N 2.86Å; D141-L145 WeakPolarHBondContact OD1-CD1 3.13Å; D141-L145 WeakPolarHBondContact OD1-CG 3.2Å
142	L	81.4	Confident	77.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-39.3	171.9	-153.8	78	0	0	0	110.5	L85 V99 F116 V138 K139 D144 L145 M146	L85-L142 HydrophobicContact CD1-CD2 4.1Å; L85-L142 HydrophobicContact CD2-CB 4.3Å; L85-L142 HydrophobicContact CD2-CD2 3.18Å; L85-L142 HydrophobicContact CD2-CG 4.32Å; L85-L142 HydrophobicContact CG-CD2 3.8Å; V99-L142 HydrophobicContact CB-CD2 4.29Å; V99-L142 HydrophobicContact CG1-CD2 3.71Å; V99-L142 HydrophobicContact CG2-CD1 4.34Å; V99-L142 HydrophobicContact CG2-CD2 3.57Å; F116-L142 HydrophobicContact CE1-CD1 3.56Å; F116-L142 HydrophobicContact CZ-CD1 3.84Å; V138-L142 VanDerWaalsContact O-CB 3.28Å; V138-L142 WeakPolarHBondContact O-CB 3.37Å; V138-L142 PolarHBondContact O-N 2.93Å; K139-L142 PolarHBondContact O-N 3.18Å; L142-D144 PolarHBondContact O-N 3.49Å; L142-L145 PolarHBondContact O-N 3.26Å; L142-M146 HydrophobicContact CD2-CG 4.45Å; L142-M146 HydrophobicContact CD2-SD 4.07Å; L142-M146 HydrophobicContact CG-CG 3.9Å; L142-M146 HydrophobicContact CG-SD 4.1Å; L142-M146 WeakPolarHBondContact O-CB 3.35Å; L142-M146 WeakPolarHBondContact O-CG 3.26Å; L142-M146 PolarHBondContact O-N 3.28Å
143	F	81.6	Confident	76.2	Confident	73 Å²	73	59.2 Å²	59.2	32%	0.32	31%	0.305	S	S	.	.	H	α-helix	trans	-58.4	-27.6	173.8	-86.1	-74.7	0	0	0	113.6	L85 K139 D140 D141 P147 I157 N159	L85-F143 HydrophobicContact CD1-CD2 4.38Å; L85-F143 HydrophobicContact CD1-CE2 3.74Å; L85-F143 HydrophobicContact CD1-CZ 3.91Å; K139-F143 HydrophobicContact CD-CE2 4.26Å; K139-F143 HydrophobicContact CG-CD2 3.88Å; K139-F143 HydrophobicContact CG-CE2 3.67Å; K139-F143 WeakPolarHBondContact O-CD2 3.06Å; K139-F143 PolarHBondContact O-N 3.13Å; D140-F143 WeakPolarHBondContact O-CB 3.46Å; D140-F143 PolarHBondContact O-N 3.46Å; D141-F143 VanDerWaalsContact C-N 3.26Å; D141-F143 PolarHBondContact O-N 2.91Å; F143-P147 WeakPolarHBondContact O-CD 2.95Å; F143-P147 WeakPolarHBondContact O-CG 3.29Å; F143-I157 HydrophobicContact CD1-CD1 3.92Å; F143-I157 HydrophobicContact CD1-CG2 4.45Å; F143-I157 HydrophobicContact CE1-CB 4.1Å; F143-I157 HydrophobicContact CE1-CD1 4.08Å; F143-I157 HydrophobicContact CE1-CG2 3.68Å; F143-I157 HydrophobicContact CZ-CG2 3.78Å; F143-N159 VanDerWaalsContact CZ-ND2 3.27Å; F143-N159 WeakPolarHBondContact CZ-ND2 2.77Å; F143-N159 WeakPolarHBondContact CZ-OD1 3.4Å
144	D	82.4	Confident	74.5	Confident	94 Å²	94	60.2 Å²	60.2	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-87.5	-46.3	177.6	-169.5	-106.5	0	0	0	112.6	D140 D141 L142 M146 P147 E148	D140-D144 PolarHBondContact O-N 3.01Å; D141-D144 CarbonylContact O-C 3.59Å; D141-D144 WeakPolarHBondContact O-CA 3.24Å; D141-D144 WeakPolarHBondContact O-CB 3.08Å; D141-D144 PolarHBondContact O-N 3.41Å; L142-D144 PolarHBondContact O-N 3.49Å; D144-M146 VanDerWaalsContact C-N 3.32Å; D144-M146 PolarHBondContact O-N 3.47Å; D144-P147 WeakPolarHBondContact O-CD 3.23Å; D144-P147 VanDerWaalsContact O-CG 3.3Å; D144-P147 WeakPolarHBondContact O-CG 3.4Å; D144-E148 VanDerWaalsContact O-CB 3.29Å; D144-E148 WeakPolarHBondContact O-CB 3.44Å; D144-E148 PolarHBondContact O-N 2.97Å
145	L	76.1	Confident	72.9	Confident	5 Å²	5	68 Å²	68	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-33.1	179.4	-71.2	-177.3	0	0	0	113.7	Y115 F116 K119 F120 D141 L142 E148 K149	Y115-L145 HydrophobicContact CE1-CD1 3.98Å; Y115-L145 HydrophobicContact CE1-CD2 3.87Å; Y115-L145 HydrophobicContact CE1-CG 4.46Å; Y115-L145 WeakPolarHBondContact OH-CD2 3.37Å; F116-L145 HydrophobicContact CD1-CD1 4.25Å; F116-L145 HydrophobicContact CE1-CD1 4.09Å; K119-L145 HydrophobicContact CD-CD2 4.42Å; K119-L145 HydrophobicContact CG-CD2 4.49Å; F120-L145 HydrophobicContact CE2-CD1 4.03Å; F120-L145 HydrophobicContact CZ-CD1 4.02Å; D141-L145 WeakPolarHBondContact O-CB 3.01Å; D141-L145 WeakPolarHBondContact O-CG 3.43Å; D141-L145 PolarHBondContact O-N 2.86Å; D141-L145 WeakPolarHBondContact OD1-CD1 3.13Å; D141-L145 WeakPolarHBondContact OD1-CG 3.2Å; L142-L145 PolarHBondContact O-N 3.26Å; L145-E148 PolarHBondContact O-N 2.82Å; L145-K149 WeakPolarHBondContact O-CB 3.31Å; L145-K149 PolarHBondContact O-N 3.38Å
146	M	76.2	Confident	71.8	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.039	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-58.1	-178.2	-61.9	-106.8	74.3	0	0	111.4	I83 L142 D144 W150 V153 I157	I83-M146 HydrophobicContact CB-SD 4Å; I83-M146 HydrophobicContact CD1-CE 3.15Å; I83-M146 HydrophobicContact CD1-SD 3.33Å; I83-M146 WeakPolarHBondContact CD1-SD 3.47Å; I83-M146 HydrophobicContact CG1-CE 4.48Å; I83-M146 HydrophobicContact CG1-SD 4.17Å; I83-M146 HydrophobicContact CG2-SD 3.79Å; L142-M146 HydrophobicContact CD2-CG 4.45Å; L142-M146 HydrophobicContact CD2-SD 4.07Å; L142-M146 HydrophobicContact CG-CG 3.9Å; L142-M146 HydrophobicContact CG-SD 4.1Å; L142-M146 WeakPolarHBondContact O-CB 3.35Å; L142-M146 WeakPolarHBondContact O-CG 3.26Å; L142-M146 PolarHBondContact O-N 3.28Å; D144-M146 VanDerWaalsContact C-N 3.32Å; D144-M146 PolarHBondContact O-N 3.47Å; M146-W150 CarbonylContact O-C 3.29Å; M146-W150 PolarHBondContact O-N 3.5Å; M146-W150 VanDerWaalsContact O-N 3.14Å; M146-V153 HydrophobicContact CB-CG1 3.9Å; M146-V153 HydrophobicContact CE-CG1 3.88Å; M146-V153 HydrophobicContact CE-CG2 4.06Å; M146-V153 HydrophobicContact CG-CG1 4.35Å; M146-V153 HydrophobicContact SD-CG1 3.7Å; M146-I157 HydrophobicContact CB-CD1 3.68Å; M146-I157 HydrophobicContact CB-CG1 4.49Å; M146-I157 HydrophobicContact CG-CD1 3.65Å; M146-I157 HydrophobicContact CG-CG1 4.33Å; M146-I157 HydrophobicContact SD-CD1 4.09Å; M146-I157 HydrophobicContact SD-CG1 4.13Å
147	P	73.1	Confident	71.1	Confident	70 Å²	70	66.4 Å²	66.4	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-70.1	-31	175.9	29	-36.4	0	0	0	113	F143 D144	F143-P147 WeakPolarHBondContact O-CD 2.95Å; F143-P147 WeakPolarHBondContact O-CG 3.29Å; D144-P147 WeakPolarHBondContact O-CD 3.23Å; D144-P147 VanDerWaalsContact O-CG 3.3Å; D144-P147 WeakPolarHBondContact O-CG 3.4Å
148	E	73.8	Confident	70.6	Confident	116 Å²	116	69.2 Å²	69.2	54%	0.542	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-49.5	-179.3	178.6	176.7	94.7	0	0	112	K119 D144 L145	K119-E148 IonicContact NZ-OE1 3.61Å; D144-E148 VanDerWaalsContact O-CB 3.29Å; D144-E148 WeakPolarHBondContact O-CB 3.44Å; D144-E148 PolarHBondContact O-N 2.97Å; L145-E148 PolarHBondContact O-N 2.82Å
149	K	68.1	Low	70	Confident	93 Å²	93	72.8 Å²	72.8	40%	0.404	37%	0.367	S	S	.	.	H	α-helix	trans	-95.8	-28.9	-170.6	-171	52.5	174.3	-84.6	0	113.6	L145	L145-K149 WeakPolarHBondContact O-CB 3.31Å; L145-K149 PolarHBondContact O-N 3.38Å
150	W	66	Low	69.2	Low	74 Å²	74	75.9 Å²	75.9	28%	0.28	38%	0.38	S	S	.	.			trans	-133.9	84.7	-173	-56.6	102.2	0	0	0	110.6	I107 M146 Q152 V153	I107-W150 HydrophobicContact CB-CZ2 4.28Å; I107-W150 HydrophobicContact CD1-CD2 3.96Å; I107-W150 HydrophobicContact CD1-CG 4.18Å; I107-W150 HydrophobicContact CD1-CZ2 4.09Å; I107-W150 HydrophobicContact CG1-CD2 4.06Å; I107-W150 HydrophobicContact CG1-CE3 4.29Å; I107-W150 HydrophobicContact CG1-CH2 3.91Å; I107-W150 HydrophobicContact CG1-CZ2 3.65Å; I107-W150 HydrophobicContact CG1-CZ3 4.22Å; I107-W150 HydrophobicContact CG2-CH2 4.36Å; I107-W150 HydrophobicContact CG2-CZ2 3.78Å; M146-W150 CarbonylContact O-C 3.29Å; M146-W150 PolarHBondContact O-N 3.5Å; M146-W150 VanDerWaalsContact O-N 3.14Å; W150-Q152 HydrophobicContact CB-CG 3.92Å; W150-Q152 HydrophobicContact CE3-CG 4.43Å; W150-Q152 PolarHBondContact O-N 3.03Å; W150-V153 HydrophobicContact CB-CB 4.21Å; W150-V153 HydrophobicContact CB-CG2 3.42Å; W150-V153 VanDerWaalsContact CB-CG2 3.42Å; W150-V153 HydrophobicContact CG-CG2 4.24Å; W150-V153 VanDerWaalsContact O-CB 3.28Å; W150-V153 WeakPolarHBondContact O-CB 3.37Å; W150-V153 PolarHBondContact O-N 3.06Å
151	P	60.6	Low	68	Low	108 Å²	108	80.1 Å²	80.1	70%	0.701	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.4	179.2	24.1	-34.3	0	0	0	112.7	V153 G154	P151-V153 PolarHBondContact O-N 2.69Å; P151-G154 PolarHBondContact O-N 3.16Å
152	Q	58	Low	66.5	Low	101 Å²	101	80.9 Å²	80.9	47%	0.472	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-56	-29.8	169.7	52.3	-169.8	50.6	0	0	114.2	Y105 W150 G154	Y105-Q152 HydrophobicContact CD1-CB 4.18Å; Y105-Q152 HydrophobicContact CD1-CG 3.61Å; Y105-Q152 HydrophobicContact CE1-CB 4.28Å; Y105-Q152 HydrophobicContact CE1-CG 4.1Å; Y105-Q152 WeakPolarHBondContact CE1-O 3.31Å; Y105-Q152 PolarHBondContact O-NE2 2.82Å; Y105-Q152 VanDerWaalsContact O-NE2 3.11Å; W150-Q152 HydrophobicContact CB-CG 3.92Å; W150-Q152 HydrophobicContact CE3-CG 4.43Å; W150-Q152 PolarHBondContact O-N 3.03Å; Q152-G154 VanDerWaalsContact C-N 3.26Å; Q152-G154 PolarHBondContact O-N 2.96Å
153	V	59.3	Low	65	Low	2 Å²	2	90.4 Å²	90.4	1%	0.012	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-75	-19	176.9	179.7	0	0	0	0	112.5	I83 Y105 M146 W150 P151 N155 K156 I157	I83-V153 HydrophobicContact CD1-CB 4.43Å; I83-V153 HydrophobicContact CD1-CG1 3.6Å; I83-V153 HydrophobicContact CD1-CG2 3.86Å; I83-V153 HydrophobicContact CG1-CG1 4.16Å; Y105-V153 HydrophobicContact CD1-CB 4.38Å; Y105-V153 HydrophobicContact CD1-CG2 3.38Å; Y105-V153 HydrophobicContact CD2-CG2 3.98Å; Y105-V153 HydrophobicContact CE1-CB 3.73Å; Y105-V153 HydrophobicContact CE1-CG1 4.42Å; Y105-V153 HydrophobicContact CE1-CG2 3.19Å; Y105-V153 HydrophobicContact CE2-CG2 3.86Å; Y105-V153 HydrophobicContact CG-CG2 3.74Å; Y105-V153 VanDerWaalsContact CZ-CG2 3.41Å; Y105-V153 WeakPolarHBondContact OH-CA 3.48Å; M146-V153 HydrophobicContact CB-CG1 3.9Å; M146-V153 HydrophobicContact CE-CG1 3.88Å; M146-V153 HydrophobicContact CE-CG2 4.06Å; M146-V153 HydrophobicContact CG-CG1 4.35Å; M146-V153 HydrophobicContact SD-CG1 3.7Å; W150-V153 HydrophobicContact CB-CB 4.21Å; W150-V153 HydrophobicContact CB-CG2 3.42Å; W150-V153 VanDerWaalsContact CB-CG2 3.42Å; W150-V153 HydrophobicContact CG-CG2 4.24Å; W150-V153 VanDerWaalsContact O-CB 3.28Å; W150-V153 WeakPolarHBondContact O-CB 3.37Å; W150-V153 PolarHBondContact O-N 3.06Å; P151-V153 PolarHBondContact O-N 2.69Å; V153-N155 PolarHBondContact O-N 2.7Å; V153-K156 PolarHBondContact O-N 3.03Å; V153-I157 HydrophobicContact CG1-CG1 4.36Å
154	G	51.2	Low	63.3	Low	32 Å²	32	94.4 Å²	94.4	33%	0.33	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-28.6	-146.5	0	0	0	0	0	118.5	P151 Q152	P151-G154 PolarHBondContact O-N 3.16Å; Q152-G154 VanDerWaalsContact C-N 3.26Å; Q152-G154 PolarHBondContact O-N 2.96Å
155	N	51.7	Low	61.6	Low	163 Å²	163	99.9 Å²	99.9	87%	0.872	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	12.9	-170.6	-90	50.4	0	0	0	116.9	V153	V153-N155 PolarHBondContact O-N 2.7Å
156	K	58.1	Low	60	Low	66 Å²	66	107.5 Å²	107.5	29%	0.287	51%	0.509	S	S	.	.			trans	-131.2	54.3	-179	-69.5	-166.8	-171.2	173.8	0	114.1	E79 P82 I83 V153	E79-K156 VanDerWaalsContact CD-NZ 3.25Å; E79-K156 IonicContact OE1-NZ 2.87Å; E79-K156 PolarHBondContact OE1-NZ 3.15Å; P82-K156 CarbonylContact C-O 3.58Å; P82-K156 WeakPolarHBondContact CA-O 3.25Å; P82-K156 HydrophobicContact CB-CB 4.01Å; P82-K156 WeakPolarHBondContact CB-O 3.25Å; I83-K156 PolarHBondContact N-O 3.13Å; V153-K156 PolarHBondContact O-N 3.03Å
157	I	68.5	Low	58.5	Low	44 Å²	44	115.4 Å²	115.4	23%	0.226	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.5	168.1	-56.9	171.2	0	0	0	108.9	L85 F143 M146 V153	L85-I157 HydrophobicContact CD1-CG2 3.38Å; L85-I157 HydrophobicContact CG-CG2 4.25Å; F143-I157 HydrophobicContact CD1-CD1 3.92Å; F143-I157 HydrophobicContact CD1-CG2 4.45Å; F143-I157 HydrophobicContact CE1-CB 4.1Å; F143-I157 HydrophobicContact CE1-CD1 4.08Å; F143-I157 HydrophobicContact CE1-CG2 3.68Å; F143-I157 HydrophobicContact CZ-CG2 3.78Å; M146-I157 HydrophobicContact CB-CD1 3.68Å; M146-I157 HydrophobicContact CB-CG1 4.49Å; M146-I157 HydrophobicContact CG-CD1 3.65Å; M146-I157 HydrophobicContact CG-CG1 4.33Å; M146-I157 HydrophobicContact SD-CD1 4.09Å; M146-I157 HydrophobicContact SD-CG1 4.13Å; V153-I157 HydrophobicContact CG1-CG1 4.36Å
158	R	69	Low	57.5	Low	167 Å²	167	119.7 Å²	119.7	63%	0.63	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.6	113.8	174.6	-74	-171.5	-179.4	176.4	0.4	110.3	P82 I83 I84 L85 K160	P82-R158 HydrophobicContact CB-CB 4.25Å; P82-R158 HydrophobicContact CB-CG 3.76Å; P82-R158 HydrophobicContact CG-CG 4.14Å; I83-R158 PolarHBondContact O-N 3.47Å; I84-R158 WeakPolarHBondContact CA-O 3.49Å; L85-R158 PolarHBondContact N-O 2.89Å; R158-K160 PolarHBondContact O-N 2.89Å
159	N	69.1	Low	56.2	Low	82 Å²	82	120.1 Å²	120.1	44%	0.439	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.9	111.6	167.8	-76.9	-20.7	0	0	0	109.9	L85 K139 F143 K161	L85-N159 VanDerWaalsContact CB-OD1 3.24Å; L85-N159 WeakPolarHBondContact CB-OD1 3.35Å; L85-N159 WeakPolarHBondContact CD1-OD1 3.43Å; K139-N159 WeakPolarHBondContact CE-ND2 3.29Å; F143-N159 VanDerWaalsContact CZ-ND2 3.27Å; F143-N159 WeakPolarHBondContact CZ-ND2 2.77Å; F143-N159 WeakPolarHBondContact CZ-OD1 3.4Å; N159-K161 PolarHBondContact O-N 3.5Å
160	K	62.5	Low	55.4	Low	134 Å²	134	120.5 Å²	120.5	58%	0.583	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88	97.4	168.7	-163.8	177.1	-178.8	176.6	0	108	I84 L85 R158 L162	I84-K160 HydrophobicContact CG2-CB 4Å; L85-K160 PolarHBondContact O-N 3.32Å; R158-K160 PolarHBondContact O-N 2.89Å; K160-L162 VanDerWaalsContact C-N 3.31Å; K160-L162 HydrophobicContact CD-CD1 3.82Å; K160-L162 HydrophobicContact CG-CD1 3.87Å; K160-L162 PolarHBondContact O-N 2.93Å
161	K	57.9	Low	54.6	Low	192 Å²	192	123.4 Å²	123.4	84%	0.835	59%	0.593	S	S	*	*			trans	-69.5	89.9	172.2	-165.8	164.2	-173.9	161.8	0	108.5	N159 K163	N159-K161 PolarHBondContact O-N 3.5Å; K161-K163 PolarHBondContact O-N 3.33Å
162	L	52.7	Low	54.2	Low	75 Å²	75	122.7 Å²	122.7	39%	0.393	60%	0.597	S	S	.	*			trans	-65.4	104.2	170.2	-112.1	71.3	0	0	0	107.6	K160 F164	K160-L162 VanDerWaalsContact C-N 3.31Å; K160-L162 HydrophobicContact CD-CD1 3.82Å; K160-L162 HydrophobicContact CG-CD1 3.87Å; K160-L162 PolarHBondContact O-N 2.93Å; L162-F164 HydrophobicContact CB-CD2 4.21Å; L162-F164 HydrophobicContact CD2-CD2 3.47Å; L162-F164 VanDerWaalsContact CD2-CD2 3.47Å; L162-F164 HydrophobicContact CD2-CE2 3.66Å; L162-F164 HydrophobicContact CG-CD2 3.83Å; L162-F164 HydrophobicContact CG-CE2 4.22Å; L162-F164 PolarHBondContact O-N 3.47Å
163	K	49.3	Very low	54.1	Low	199 Å²	199	123 Å²	123	87%	0.865	60%	0.601	S	S	*	*			trans	-73.2	69	162.9	-83.4	-172.6	170.6	166.6	0	108.3	K161 K165	K161-K163 PolarHBondContact O-N 3.33Å; K163-K165 PolarHBondContact O-N 3.47Å
164	F	46	Very low	53.7	Low	158 Å²	158	132 Å²	132	69%	0.693	64%	0.643	S	S	*	*			trans	-81.3	108.8	168	-107.7	-99.8	0	0	0	108.2	L162 F166	L162-F164 HydrophobicContact CB-CD2 4.21Å; L162-F164 HydrophobicContact CD2-CD2 3.47Å; L162-F164 VanDerWaalsContact CD2-CD2 3.47Å; L162-F164 HydrophobicContact CD2-CE2 3.66Å; L162-F164 HydrophobicContact CG-CD2 3.83Å; L162-F164 HydrophobicContact CG-CE2 4.22Å; L162-F164 PolarHBondContact O-N 3.47Å; F164-F166 PolarHBondContact O-N 3.18Å
165	K	47	Very low	53.6	Low	208 Å²	208	137.3 Å²	137.3	90%	0.904	66%	0.663	S	S	*	*			trans	-77.5	82	175.5	-152.2	170.1	-178.4	171.6	0	107.6	K163	K163-K165 PolarHBondContact O-N 3.47Å
166	F	43.1	Very low	53.6	Low	165 Å²	165	137.3 Å²	137.3	72%	0.724	66%	0.662	S	S	*	*			trans	19.1	99.6	144.1	-151.4	-96.4	0	0	0	116.9	F164	F164-F166 PolarHBondContact O-N 3.18Å
167	Q	42.9	Very low	53.1	Low	174 Å²	174	137.8 Å²	137.8	81%	0.813	69%	0.685	S	S	*	*			trans	-160.4	86.1	147.5	-146.9	156.4	16.3	0	0	108.6
168	I	53.1	Low	51.9	Low	161 Å²	161	142 Å²	142	83%	0.826	71%	0.708	S	S	*	*			trans	-126.8	109.1	159.5	-82.8	175.4	0	0	0	105.2
169	D	46.7	Very low	51.1	Low	124 Å²	124	143.2 Å²	143.2	66%	0.663	72%	0.721	S	S	*	*			trans	-46	146.6	173.6	-78.1	-104.6	0	0	0	111.8	D171	D169-D171 PolarHBondContact O-N 2.94Å
170	Q	50.9	Low	49.8	Very low	102 Å²	102	148.8 Å²	148.8	48%	0.477	74%	0.741	S	S	.	*	S	Bend	trans	-80.1	-1.4	-163.1	-160.4	114.9	110.3	0	0	113.3	K92	K92-Q170 HydrophobicContact CD-CG 4.26Å; K92-Q170 VanDerWaalsContact CD-NE2 3.33Å; K92-Q170 VanDerWaalsContact CE-CG 3.41Å
171	D	48.4	Very low	48.8	Very low	134 Å²	134	156.9 Å²	156.9	72%	0.717	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	12.7	-152.7	-54.4	-84.1	0	0	0	114.2	D169	D169-D171 PolarHBondContact O-N 2.94Å
172	A	52.4	Low	48.4	Very low	94 Å²	94	155.1 Å²	155.1	78%	0.777	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	13.9	-179.6	0	0	0	0	0	115.4
173	I	56.9	Low	48.2	Very low	108 Å²	108	159.3 Å²	159.3	55%	0.554	78%	0.784	S	S	*	*			trans	-116.9	2.9	176.9	-85.4	164.5	0	0	0	114	D175	I173-D175 VanDerWaalsContact C-N 3.27Å; I173-D175 PolarHBondContact O-N 3.16Å
174	E	51.1	Low	48.1	Very low	190 Å²	190	157.1 Å²	157.1	89%	0.888	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	58.4	164.5	-64.2	-153.6	101	0	0	112.1
175	D	47.8	Very low	48.2	Very low	144 Å²	144	157.1 Å²	157.1	77%	0.77	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.9	24.4	159.6	-152.3	-128	0	0	0	117.1	I173	I173-D175 VanDerWaalsContact C-N 3.27Å; I173-D175 PolarHBondContact O-N 3.16Å
176	I	52.9	Low	48.3	Very low	162 Å²	162	153.9 Å²	153.9	83%	0.831	78%	0.778	S	S	*	*	S	Bend	trans	-122.1	3	169.1	-97.3	175	0	0	0	113.1	D178	I176-D178 VanDerWaalsContact C-N 3.35Å
177	G	47.3	Very low	48.7	Very low	76 Å²	76	153.1 Å²	153.1	78%	0.784	78%	0.781	S	S	*	*	S	Bend	trans	-77	-14.1	173	0	0	0	0	0	114.9	Q179	G177-Q179 PolarHBondContact O-N 3.39Å
178	D	43.6	Very low	49.1	Very low	133 Å²	133	151.6 Å²	151.6	71%	0.711	78%	0.779	S	S	*	*			trans	-100.3	58.9	-179.2	-149.5	-98.1	0	0	0	111.9	I176	I176-D178 VanDerWaalsContact C-N 3.35Å
179	Q	51.7	Low	48.8	Very low	192 Å²	192	150.9 Å²	150.9	90%	0.897	78%	0.775	S	S	*	*			trans	-123	55.3	151.6	-73.5	-169.5	17.1	0	0	108.6	G177	G177-Q179 PolarHBondContact O-N 3.39Å
180	K	42.2	Very low	48.9	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.865	79%	0.785	S	S	*	*			trans	-141.1	69.8	159	-156.6	172.3	-171.9	176.4	0	108.6
181	R	42	Very low	48.7	Very low	304 Å²	304	157.8 Å²	157.8	100%	1.147	81%	0.813	S	S	*	*			trans	-121.2	0	153.8	-167.4	174.9	-176.9	-160.7	-0	109

Retrieved 181 of 181 residues in 177.3 ms (Link to these results)

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