A0A087WQD2_MOUSE Loading...

RIKEN cDNA 2010315B03 gene

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WQD2, Species MOUSE (Mus musculus, Mouse), Gene 2010315B03Rik, Length 175 aa.

						>A0A087WQD2_MOUSE|A0A087WQD2|2010315B03Rik
MYLEDSPATSFRLGPGWSVQRRRHQRNAMTYADVHVNFTWEEWALLNPSQKSLYKEVMLETYENLTAIGYNWEDHYIEEQFQSSRRDGRHKRGHTGEKPYECNHCGTAFARHGHLQRHKGTHTGEKLYECNRCGKVFAWNCHLRIHKRTHSGEKPYECDQCGTAFASHCRLQRHK
					

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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	32.8	Very low	35.9	Very low	243 Å²	243	159.1 Å²	159.1	100%	1.197	86%	0.86	S	S	*	*				0	112.8	0	-76.7	173.7	165.9	0	0	106.7
2	Y	32.1	Very low	35.7	Very low	236 Å²	236	165.1 Å²	165.1	93%	0.925	86%	0.861	S	S	*	*			trans	-85.5	136.8	-179.1	-69.7	-92.6	0	0	0	109.5
3	L	34.3	Very low	35.7	Very low	168 Å²	168	165.6 Å²	165.6	88%	0.88	86%	0.864	S	S	*	*			trans	-143.8	93	161.7	-74.3	172.4	0	0	0	105.7
4	E	32.3	Very low	36.2	Very low	181 Å²	181	158.6 Å²	158.6	85%	0.846	85%	0.852	S	S	*	*				83.4	92.2	92.2	-69.2	-106.6	122.3	0	0	112.3
5	D	34.2	Very low	36.5	Very low	172 Å²	172	156.9 Å²	156.9	92%	0.92	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-78.1	130.6	165.6	-81.9	-54.2	0	0	0	110.2
6	S	37.7	Very low	36.8	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-100.2	148.6	166	-81.9	0	0	0	0	111.7
7	P	42.4	Very low	36.2	Very low	119 Å²	119	156.9 Å²	156.9	77%	0.773	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-92.7	149.8	-146.9	33.9	-32.6	0	0	0	115	T9	P7-T9 PolarHBondContact O-N 3.07Å
8	A	38.9	Very low	35.9	Very low	97 Å²	97	154 Å²	154	80%	0.802	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.9	170.9	0	0	0	0	0	111.6	S10	A8-S10 PolarHBondContact O-N 3.2Å
9	T	39.5	Very low	36.1	Very low	128 Å²	128	152.9 Å²	152.9	79%	0.785	84%	0.842	S	S	*	*			trans	-63.4	115.7	174.2	-31.7	0	0	0	0	110	P7 F11	P7-T9 PolarHBondContact O-N 3.07Å; T9-F11 HydrophobicContact CG2-CE2 4.34Å
10	S	36.5	Very low	35.9	Very low	97 Å²	97	153.4 Å²	153.4	68%	0.678	84%	0.838	S	S	*	*			trans	-106.7	129.6	172.5	68.1	0	0	0	0	109.9	A8	A8-S10 PolarHBondContact O-N 3.2Å
11	F	33.8	Very low	35.7	Very low	194 Å²	194	157.4 Å²	157.4	85%	0.851	84%	0.84	S	S	*	*			trans	-98.8	130	166.9	-81.2	-89.1	0	0	0	108.7	T9	T9-F11 HydrophobicContact CG2-CE2 4.34Å
12	R	33.7	Very low	35.6	Very low	231 Å²	231	156.7 Å²	156.7	87%	0.872	82%	0.824	S	S	*	*			trans	-96.9	125.9	173.6	-66.1	-174.6	-159.5	-145.8	3.8	109.8
13	L	35.3	Very low	35.8	Very low	172 Å²	172	156.8 Å²	156.8	90%	0.901	82%	0.823	S	S	*	*			trans	-124.9	98.9	161.4	-70.6	174.3	0	0	0	108.1
14	G	43.1	Very low	35.9	Very low	68 Å²	68	157.1 Å²	157.1	70%	0.701	82%	0.82	S	S	*	*	S	Bend	trans	76.1	167.7	161.7	0	0	0	0	0	118.4
15	P	40.6	Very low	36.3	Very low	133 Å²	133	156.1 Å²	156.1	86%	0.864	82%	0.815	S	S	*	*	S	Bend	trans	-91.8	124.6	-168.3	21.6	-6.3	0	0	0	112
16	G	41.6	Very low	36.9	Very low	72 Å²	72	156.1 Å²	156.1	74%	0.742	80%	0.802	S	S	*	*	S	Bend	trans	113.4	-8	156.4	0	0	0	0	0	117.9
17	W	26.9	Very low	37.6	Very low	242 Å²	242	156.5 Å²	156.5	92%	0.917	80%	0.795	S	S	*	*			trans	-133.6	101.7	176.4	-65	90.4	0	0	0	111.1
18	S	31.3	Very low	38.2	Very low	104 Å²	104	154.9 Å²	154.9	73%	0.727	79%	0.792	S	S	*	*			trans	-86.3	106.5	166	44	0	0	0	0	109	Q20	S18-Q20 PolarHBondContact O-N 2.96Å
19	V	39	Very low	39.1	Very low	134 Å²	134	153.3 Å²	153.3	81%	0.812	77%	0.769	S	S	*	*			trans	-74	87.8	161.7	179.2	0	0	0	0	107	R21	V19-R21 PolarHBondContact O-N 3.29Å; V19-R21 VanDerWaalsContact O-N 3.08Å
20	Q	32.4	Very low	40.2	Very low	162 Å²	162	150.7 Å²	150.7	76%	0.757	75%	0.753	S	S	*	*			trans	-65.6	106.4	159.6	-76.5	166.3	-43.3	0	0	106.1	S18 R22	S18-Q20 PolarHBondContact O-N 2.96Å; Q20-R22 PolarHBondContact O-N 3.09Å
21	R	30.9	Very low	41.4	Very low	237 Å²	237	151.2 Å²	151.2	89%	0.894	74%	0.741	S	S	*	*			trans	-59.2	100.5	154.3	-77	-161.6	-158.5	-161.6	7.1	105	V19 R23	V19-R21 PolarHBondContact O-N 3.29Å; V19-R21 VanDerWaalsContact O-N 3.08Å; R21-R23 VanDerWaalsContact C-N 3.3Å; R21-R23 PolarHBondContact O-N 2.96Å
22	R	31.6	Very low	42.6	Very low	229 Å²	229	145.2 Å²	145.2	86%	0.864	73%	0.727	S	S	*	*			trans	-54.2	107.4	159.6	-82.1	-165.9	-87.8	-140.4	-1.9	104.7	Q20 H24	Q20-R22 PolarHBondContact O-N 3.09Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.3Å
23	R	35.8	Very low	44.2	Very low	237 Å²	237	139.3 Å²	139.3	89%	0.894	71%	0.713	S	S	*	*			trans	-50	115.8	150.4	-89.3	-179.4	174.2	176.9	-1.2	103.1	R21 Q25	R21-R23 VanDerWaalsContact C-N 3.3Å; R21-R23 PolarHBondContact O-N 2.96Å; R23-Q25 PolarHBondContact O-N 3.13Å
24	H	35.5	Very low	45.6	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.815	68%	0.68	S	S	*	*			trans	-53.2	101.6	158.2	-106.7	-77.4	0	0	0	104.4	R22 R26	R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.3Å; H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.23Å
25	Q	40.7	Very low	46.8	Very low	160 Å²	160	131.3 Å²	131.3	75%	0.748	66%	0.655	S	S	*	*			trans	-51.8	111.3	151.9	-83.7	171.4	-29.6	0	0	103.1	R23 N27	R23-Q25 PolarHBondContact O-N 3.13Å; Q25-N27 PolarHBondContact O-N 2.75Å
26	R	48.1	Very low	48.3	Very low	172 Å²	172	129.2 Å²	129.2	65%	0.649	64%	0.639	S	S	*	*			trans	-65.7	91.6	166.1	-80.8	173.6	87.1	167	0.6	103.8	H24 A28	H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.23Å; R26-A28 PolarHBondContact O-N 3.16Å
27	N	51.5	Low	49.6	Very low	122 Å²	122	131.5 Å²	131.5	65%	0.652	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-51.9	130	170.2	-73.7	-6	0	0	0	106.6	Q25 M29	Q25-N27 PolarHBondContact O-N 2.75Å; N27-M29 PolarHBondContact O-N 3.13Å; N27-M29 VanDerWaalsContact O-N 3.11Å
28	A	55.3	Low	51.6	Low	86 Å²	86	123.7 Å²	123.7	71%	0.711	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-57.5	117.7	169.8	0	0	0	0	0	106.9	R26 T30	R26-A28 PolarHBondContact O-N 3.16Å; A28-T30 PolarHBondContact O-N 3.3Å
29	M	57	Low	53.8	Low	64 Å²	64	122.3 Å²	122.3	32%	0.315	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-70.8	128.2	170.8	-75.1	-152.7	-75.3	0	0	107.7	N27 L65 Y70	N27-M29 PolarHBondContact O-N 3.13Å; N27-M29 VanDerWaalsContact O-N 3.11Å; M29-L65 HydrophobicContact CE-CD2 3.56Å; M29-Y70 HydrophobicContact CB-CD1 3.73Å; M29-Y70 HydrophobicContact CB-CE1 3.8Å; M29-Y70 HydrophobicContact CB-CG 4.46Å; M29-Y70 HydrophobicContact CE-CD1 4.12Å; M29-Y70 HydrophobicContact CE-CD2 3.69Å; M29-Y70 HydrophobicContact CE-CE1 3.78Å; M29-Y70 HydrophobicContact CE-CE2 3.36Å; M29-Y70 HydrophobicContact CE-CG 4.08Å; M29-Y70 HydrophobicContact CG-CD1 4.07Å; M29-Y70 HydrophobicContact CG-CE1 3.6Å; M29-Y70 HydrophobicContact SD-CE1 4.5Å
30	T	63.4	Low	54.4	Low	73 Å²	73	126 Å²	126	45%	0.448	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-93.3	161.2	179.8	69.1	0	0	0	0	110.1	A28 A32 D33	A28-T30 PolarHBondContact O-N 3.3Å; T30-A32 PolarHBondContact O-N 3.14Å; T30-D33 WeakPolarHBondContact CB-OD2 3.38Å; T30-D33 PolarHBondContact N-OD2 3.4Å; T30-D33 WeakPolarHBondContact O-CB 3.22Å; T30-D33 PolarHBondContact O-N 3.37Å; T30-D33 VanDerWaalsContact O-N 3.07Å; T30-D33 PolarHBondContact OG1-OD2 2.82Å
31	Y	61.1	Low	56.2	Low	108 Å²	108	125.4 Å²	125.4	42%	0.424	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-55.2	-35.7	173.1	-180	-101.5	0	0	0	111.9	D33 V34 H35	Y31-D33 PolarHBondContact O-N 3.39Å; Y31-V34 WeakPolarHBondContact O-CG2 3.44Å; Y31-V34 PolarHBondContact O-N 3.17Å; Y31-H35 HydrophobicContact CD1-CB 3.86Å; Y31-H35 HydrophobicContact CE1-CB 3.64Å; Y31-H35 AromaticContact CE1-CD2 3.26Å; Y31-H35 WeakPolarHBondContact CE1-CD2 3.48Å; Y31-H35 AromaticContact CE1-CG 3.36Å; Y31-H35 AromaticContact CE1-ND1 3.88Å; Y31-H35 AromaticContact CE1-NE2 3.65Å; Y31-H35 HydrophobicContact CE2-CB 4.47Å; Y31-H35 HydrophobicContact CG-CB 4.39Å; Y31-H35 AromaticContact CZ-CD2 3.16Å; Y31-H35 AromaticContact CZ-CG 3.71Å; Y31-H35 AromaticContact CZ-NE2 3.72Å; Y31-H35 WeakPolarHBondContact O-CB 3.39Å; Y31-H35 PolarHBondContact O-N 3.05Å; Y31-H35 PolarHBondContact OH-CD2 3.45Å; Y31-H35 PolarHBondContact OH-NE2 2.98Å; Y31-H35 VanDerWaalsContact OH-NE2 3.11Å
32	A	59.9	Low	58	Low	68 Å²	68	118.6 Å²	118.6	56%	0.562	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-64	-25.3	178.9	0	0	0	0	0	113.7	T30 V34	T30-A32 PolarHBondContact O-N 3.14Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.36Å
33	D	66.3	Low	59.7	Low	107 Å²	107	110.8 Å²	110.8	57%	0.572	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-74.4	-18.7	179.4	-62.3	-52.8	0	0	0	112.9	T30 Y31	T30-D33 WeakPolarHBondContact CB-OD2 3.38Å; T30-D33 PolarHBondContact N-OD2 3.4Å; T30-D33 WeakPolarHBondContact O-CB 3.22Å; T30-D33 PolarHBondContact O-N 3.37Å; T30-D33 VanDerWaalsContact O-N 3.07Å; T30-D33 PolarHBondContact OG1-OD2 2.82Å; Y31-D33 PolarHBondContact O-N 3.39Å
34	V	65.6	Low	61.5	Low	36 Å²	36	102.3 Å²	102.3	22%	0.218	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-7.3	-171.4	-57.5	0	0	0	0	112.9	Y31 A32 M58 T61 L65	Y31-V34 WeakPolarHBondContact O-CG2 3.44Å; Y31-V34 PolarHBondContact O-N 3.17Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.36Å; V34-M58 WeakPolarHBondContact O-CE 3.43Å; V34-T61 HydrophobicContact CB-CG2 3.97Å; V34-T61 HydrophobicContact CG2-CG2 4.33Å; V34-L65 HydrophobicContact CB-CD1 3.91Å; V34-L65 HydrophobicContact CG1-CD1 3.62Å; V34-L65 HydrophobicContact CG2-CD1 3.76Å
35	H	69	Low	63.8	Low	36 Å²	36	101 Å²	101	17%	0.167	52%	0.519	C	S	.	.			trans	-91.7	130.5	179	-179.4	-104.2	0	0	0	112.3	Y31 N37 Y54 M58	Y31-H35 HydrophobicContact CD1-CB 3.86Å; Y31-H35 HydrophobicContact CE1-CB 3.64Å; Y31-H35 AromaticContact CE1-CD2 3.26Å; Y31-H35 WeakPolarHBondContact CE1-CD2 3.48Å; Y31-H35 AromaticContact CE1-CG 3.36Å; Y31-H35 AromaticContact CE1-ND1 3.88Å; Y31-H35 AromaticContact CE1-NE2 3.65Å; Y31-H35 HydrophobicContact CE2-CB 4.47Å; Y31-H35 HydrophobicContact CG-CB 4.39Å; Y31-H35 AromaticContact CZ-CD2 3.16Å; Y31-H35 AromaticContact CZ-CG 3.71Å; Y31-H35 AromaticContact CZ-NE2 3.72Å; Y31-H35 WeakPolarHBondContact O-CB 3.39Å; Y31-H35 PolarHBondContact O-N 3.05Å; Y31-H35 PolarHBondContact OH-CD2 3.45Å; Y31-H35 PolarHBondContact OH-NE2 2.98Å; Y31-H35 VanDerWaalsContact OH-NE2 3.11Å; H35-N37 PolarHBondContact CE1-OD1 3.47Å; H35-N37 PolarHBondContact ND1-OD1 2.9Å; H35-N37 PolarHBondContact O-N 3.29Å; H35-Y54 PolarHBondContact CD2-OH 3.41Å; H35-Y54 PolarHBondContact CE1-OH 3.22Å; H35-Y54 VanDerWaalsContact CE1-OH 3.28Å; H35-Y54 AromaticContact NE2-CZ 3.93Å; H35-Y54 PolarHBondContact NE2-OH 3.01Å; H35-M58 HydrophobicContact CB-CE 3.97Å
36	V	71.9	Confident	65.3	Low	88 Å²	88	94.8 Å²	94.8	53%	0.533	49%	0.491	S	S	.	.			trans	-86.6	102	170.8	177.2	0	0	0	0	108.3	F38 Y54	V36-F38 HydrophobicContact CG1-CE2 4.1Å; V36-F38 HydrophobicContact CG1-CZ 4.38Å; V36-F38 PolarHBondContact O-N 3.43Å; V36-Y54 HydrophobicContact CB-CE2 4.17Å; V36-Y54 WeakPolarHBondContact O-CE2 3.4Å; V36-Y54 PolarHBondContact O-OH 3.46Å
37	N	68.8	Low	66.6	Low	121 Å²	121	90.2 Å²	90.2	65%	0.647	48%	0.479	S	S	*	.			trans	-68.1	130.7	177.6	-71.3	-43.6	0	0	0	111	H35	H35-N37 PolarHBondContact CE1-OD1 3.47Å; H35-N37 PolarHBondContact ND1-OD1 2.9Å; H35-N37 PolarHBondContact O-N 3.29Å
38	F	69.5	Low	67.3	Low	77 Å²	77	89.6 Å²	89.6	34%	0.338	48%	0.482	S	S	.	.			trans	-105.6	137.6	163.2	-72.6	-84.2	0	0	0	108.8	V36 E42 W43 L46 Y54	V36-F38 HydrophobicContact CG1-CE2 4.1Å; V36-F38 HydrophobicContact CG1-CZ 4.38Å; V36-F38 PolarHBondContact O-N 3.43Å; F38-E42 HydrophobicContact CB-CB 4.48Å; F38-E42 HydrophobicContact CD1-CB 3.9Å; F38-W43 HydrophobicContact CB-CB 4.27Å; F38-W43 HydrophobicContact CB-CE3 4.29Å; F38-W43 HydrophobicContact CD2-CE3 4.15Å; F38-W43 HydrophobicContact CD2-CZ3 4.39Å; F38-W43 HydrophobicContact CG-CE3 4.27Å; F38-L46 HydrophobicContact CD1-CD1 4.35Å; F38-L46 HydrophobicContact CE1-CD1 4.1Å; F38-L46 HydrophobicContact CE2-CD1 4.44Å; F38-L46 HydrophobicContact CZ-CD1 4.15Å; F38-Y54 HydrophobicContact CD2-CD2 4.09Å; F38-Y54 AromaticContact CD2-CE2 3.76Å; F38-Y54 HydrophobicContact CD2-CE2 3.76Å; F38-Y54 AromaticContact CD2-CZ 4Å; F38-Y54 AromaticContact CE2-CD2 3.41Å; F38-Y54 HydrophobicContact CE2-CD2 3.41Å; F38-Y54 VanDerWaalsContact CE2-CD2 3.41Å; F38-Y54 AromaticContact CE2-CE2 3.41Å; F38-Y54 HydrophobicContact CE2-CE2 3.41Å; F38-Y54 VanDerWaalsContact CE2-CE2 3.41Å; F38-Y54 HydrophobicContact CE2-CG 4.12Å; F38-Y54 HydrophobicContact CZ-CD2 4.4Å
39	T	77.5	Confident	67.7	Low	76 Å²	76	89.8 Å²	89.8	47%	0.466	48%	0.478	S	S	.	.			trans	-65.5	160.7	161.3	63.8	0	0	0	0	110	E41 E42 W43	T39-E41 PolarHBondContact O-N 3.01Å; T39-E42 WeakPolarHBondContact CB-OE2 3.49Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.28Å; T39-E42 PolarHBondContact N-OE2 3.43Å; T39-E42 PolarHBondContact O-N 2.94Å; T39-E42 WeakPolarHBondContact OG1-CG 3.44Å; T39-E42 PolarHBondContact OG1-N 3.45Å; T39-E42 PolarHBondContact OG1-OE2 2.98Å; T39-W43 WeakPolarHBondContact O-CB 3.4Å; T39-W43 PolarHBondContact O-N 3.18Å
40	W	51.7	Low	68.4	Low	211 Å²	211	90.9 Å²	90.9	80%	0.799	48%	0.482	S	S	*	.	H	α-helix	trans	-55.5	-40.1	175.8	167.4	-100.3	0	0	0	112.5	W43 A44	W40-W43 PolarHBondContact O-N 3.34Å; W40-A44 WeakPolarHBondContact O-CB 3.4Å; W40-A44 PolarHBondContact O-N 2.83Å
41	E	68.5	Low	68.8	Low	149 Å²	149	90 Å²	90	70%	0.696	47%	0.472	S	S	*	.	H	α-helix	trans	-67.1	-45.2	-179.4	-64.6	172.1	-179.3	0	0	111.5	T39 W43 A44 L45	T39-E41 PolarHBondContact O-N 3.01Å; E41-W43 PolarHBondContact O-N 2.75Å; E41-A44 PolarHBondContact O-N 3.04Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 2.82Å
42	E	69.4	Low	69.1	Low	94 Å²	94	87 Å²	87	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-39.5	176.1	-66.4	163.4	139.1	0	0	111.7	F38 T39 A44 L45 L46	F38-E42 HydrophobicContact CB-CB 4.48Å; F38-E42 HydrophobicContact CD1-CB 3.9Å; T39-E42 WeakPolarHBondContact CB-OE2 3.49Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.28Å; T39-E42 PolarHBondContact N-OE2 3.43Å; T39-E42 PolarHBondContact O-N 2.94Å; T39-E42 WeakPolarHBondContact OG1-CG 3.44Å; T39-E42 PolarHBondContact OG1-N 3.45Å; T39-E42 PolarHBondContact OG1-OE2 2.98Å; E42-A44 VanDerWaalsContact C-N 3.32Å; E42-A44 PolarHBondContact O-N 3.25Å; E42-L45 PolarHBondContact O-N 3.41Å; E42-L46 PolarHBondContact O-N 3.46Å
43	W	68	Low	69.5	Low	65 Å²	65	87.1 Å²	87.1	25%	0.246	46%	0.458	C	S	.	.	H	α-helix	trans	-64.5	-37.2	176.6	-175.3	-101.4	0	0	0	112.1	F38 T39 W40 E41 L45 L46 K51 Y54 K55	F38-W43 HydrophobicContact CB-CB 4.27Å; F38-W43 HydrophobicContact CB-CE3 4.29Å; F38-W43 HydrophobicContact CD2-CE3 4.15Å; F38-W43 HydrophobicContact CD2-CZ3 4.39Å; F38-W43 HydrophobicContact CG-CE3 4.27Å; T39-W43 WeakPolarHBondContact O-CB 3.4Å; T39-W43 PolarHBondContact O-N 3.18Å; W40-W43 PolarHBondContact O-N 3.34Å; E41-W43 PolarHBondContact O-N 2.75Å; W43-L45 PolarHBondContact O-N 3.4Å; W43-L46 HydrophobicContact CE3-CD1 3.77Å; W43-L46 HydrophobicContact CZ3-CD1 4.01Å; W43-L46 PolarHBondContact O-N 3.26Å; W43-K51 HydrophobicContact CH2-CB 4.07Å; W43-K51 HydrophobicContact CH2-CG 3.98Å; W43-K51 HydrophobicContact CZ2-CB 4.07Å; W43-K51 HydrophobicContact CZ2-CD 4.1Å; W43-K51 HydrophobicContact CZ2-CG 3.77Å; W43-K51 HydrophobicContact CZ3-CG 4.43Å; W43-K51 WeakPolarHBondContact O-CE 3.31Å; W43-K51 PolarHBondContact O-NZ 3.1Å; W43-Y54 AromaticContact CH2-CD1 3.58Å; W43-Y54 HydrophobicContact CH2-CD1 3.58Å; W43-Y54 HydrophobicContact CH2-CE1 4.15Å; W43-Y54 HydrophobicContact CH2-CG 4.37Å; W43-Y54 AromaticContact CZ3-CD1 3.31Å; W43-Y54 HydrophobicContact CZ3-CD1 3.31Å; W43-Y54 AromaticContact CZ3-CE1 3.74Å; W43-Y54 HydrophobicContact CZ3-CE1 3.74Å; W43-Y54 AromaticContact CZ3-CG 3.87Å; W43-Y54 HydrophobicContact CZ3-CG 3.87Å; W43-K55 HydrophobicContact CH2-CG 4.49Å
44	A	73.9	Confident	70	Confident	60 Å²	60	83.9 Å²	83.9	50%	0.496	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-34.6	177.6	0	0	0	0	0	112.1	W40 E41 E42 L46	W40-A44 WeakPolarHBondContact O-CB 3.4Å; W40-A44 PolarHBondContact O-N 2.83Å; E41-A44 PolarHBondContact O-N 3.04Å; E42-A44 VanDerWaalsContact C-N 3.32Å; E42-A44 PolarHBondContact O-N 3.25Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 PolarHBondContact O-N 3.39Å
45	L	81.8	Confident	70.2	Confident	148 Å²	148	86.3 Å²	86.3	78%	0.775	45%	0.446	S	S	*	.	H	α-helix	trans	-75	-17.5	-179.9	-63.7	171.4	0	0	0	113.9	E41 E42 W43	E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 2.82Å; E42-L45 PolarHBondContact O-N 3.41Å; W43-L45 PolarHBondContact O-N 3.4Å
46	L	74	Confident	70.2	Confident	30 Å²	30	85.3 Å²	85.3	16%	0.157	44%	0.441	C	S	.	.	S	Bend	trans	-72.7	131.2	178	-61.8	178.8	0	0	0	111.4	F38 E42 W43 A44 Q50 K51	F38-L46 HydrophobicContact CD1-CD1 4.35Å; F38-L46 HydrophobicContact CE1-CD1 4.1Å; F38-L46 HydrophobicContact CE2-CD1 4.44Å; F38-L46 HydrophobicContact CZ-CD1 4.15Å; E42-L46 PolarHBondContact O-N 3.46Å; W43-L46 HydrophobicContact CE3-CD1 3.77Å; W43-L46 HydrophobicContact CZ3-CD1 4.01Å; W43-L46 PolarHBondContact O-N 3.26Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 PolarHBondContact O-N 3.39Å; L46-Q50 HydrophobicContact CB-CB 4.04Å; L46-Q50 HydrophobicContact CD2-CB 4.05Å; L46-Q50 HydrophobicContact CG-CB 4.49Å; L46-K51 HydrophobicContact CB-CD 4.4Å; L46-K51 HydrophobicContact CB-CG 3.7Å; L46-K51 HydrophobicContact CD1-CG 4.4Å; L46-K51 WeakPolarHBondContact O-CE 3.49Å; L46-K51 PolarHBondContact O-NZ 2.84Å
47	N	75.1	Confident	70.2	Confident	75 Å²	75	82.9 Å²	82.9	40%	0.401	43%	0.426	S	S	.	.			trans	-71.1	164.1	172.5	72.1	47.2	0	0	0	111.3	S49 Q50 K51	N47-S49 PolarHBondContact O-N 3.5Å; N47-S49 WeakPolarHBondContact OD1-CA 3.31Å; N47-S49 WeakPolarHBondContact OD1-CB 3.25Å; N47-S49 PolarHBondContact OD1-N 3.36Å; N47-Q50 PolarHBondContact ND2-OE1 3.06Å; N47-Q50 PolarHBondContact O-N 3.21Å; N47-Q50 VanDerWaalsContact O-N 3.1Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.25Å; N47-Q50 PolarHBondContact OD1-N 3.27Å; N47-K51 PolarHBondContact O-N 3.21Å
48	P	65.8	Low	70.6	Confident	109 Å²	109	78 Å²	78	71%	0.708	40%	0.4	S	S	*	.	H	α-helix	trans	-54.7	-37.1	-177.5	-28.3	36.4	0	0	0	114.1	K51 S52	P48-K51 PolarHBondContact O-N 3.31Å; P48-S52 WeakPolarHBondContact O-CB 3.42Å; P48-S52 PolarHBondContact O-N 2.89Å
49	S	63.3	Low	70.6	Confident	90 Å²	90	75.3 Å²	75.3	63%	0.629	39%	0.389	S	S	*	.	H	α-helix	trans	-69	-40.3	178.8	-53.6	0	0	0	0	112	N47 S52 L53	N47-S49 PolarHBondContact O-N 3.5Å; N47-S49 WeakPolarHBondContact OD1-CA 3.31Å; N47-S49 WeakPolarHBondContact OD1-CB 3.25Å; N47-S49 PolarHBondContact OD1-N 3.36Å; S49-S52 PolarHBondContact O-N 3.11Å; S49-L53 VanDerWaalsContact O-CB 3.23Å; S49-L53 WeakPolarHBondContact O-CB 3.39Å; S49-L53 PolarHBondContact O-N 3.27Å
50	Q	72.1	Confident	70.3	Confident	87 Å²	87	73.3 Å²	73.3	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-41	175.1	-71.9	170.8	-41.8	0	0	112.1	L46 N47 L53 Y54	L46-Q50 HydrophobicContact CB-CB 4.04Å; L46-Q50 HydrophobicContact CD2-CB 4.05Å; L46-Q50 HydrophobicContact CG-CB 4.49Å; N47-Q50 PolarHBondContact ND2-OE1 3.06Å; N47-Q50 PolarHBondContact O-N 3.21Å; N47-Q50 VanDerWaalsContact O-N 3.1Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.25Å; N47-Q50 PolarHBondContact OD1-N 3.27Å; Q50-L53 WeakPolarHBondContact O-CB 3.25Å; Q50-L53 PolarHBondContact O-N 2.73Å; Q50-Y54 WeakPolarHBondContact O-CB 3.39Å; Q50-Y54 PolarHBondContact O-N 3.26Å
51	K	71.6	Confident	71.3	Confident	54 Å²	54	65.3 Å²	65.3	24%	0.235	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-44.3	173.5	-71.3	174.4	171.5	150.7	0	110.9	W43 L46 N47 P48 L53 Y54 K55	W43-K51 HydrophobicContact CH2-CB 4.07Å; W43-K51 HydrophobicContact CH2-CG 3.98Å; W43-K51 HydrophobicContact CZ2-CB 4.07Å; W43-K51 HydrophobicContact CZ2-CD 4.1Å; W43-K51 HydrophobicContact CZ2-CG 3.77Å; W43-K51 HydrophobicContact CZ3-CG 4.43Å; W43-K51 WeakPolarHBondContact O-CE 3.31Å; W43-K51 PolarHBondContact O-NZ 3.1Å; L46-K51 HydrophobicContact CB-CD 4.4Å; L46-K51 HydrophobicContact CB-CG 3.7Å; L46-K51 HydrophobicContact CD1-CG 4.4Å; L46-K51 WeakPolarHBondContact O-CE 3.49Å; L46-K51 PolarHBondContact O-NZ 2.84Å; N47-K51 PolarHBondContact O-N 3.21Å; P48-K51 PolarHBondContact O-N 3.31Å; K51-L53 VanDerWaalsContact C-N 3.35Å; K51-Y54 PolarHBondContact O-N 2.8Å; K51-K55 VanDerWaalsContact O-CG 3.23Å; K51-K55 WeakPolarHBondContact O-CG 3.37Å; K51-K55 PolarHBondContact O-N 3.23Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52	S	67.4	Low	71.3	Confident	47 Å²	47	59.8 Å²	59.8	33%	0.329	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176.1	-168.9	0	0	0	0	111.7	P48 S49 K55 E56	P48-S52 WeakPolarHBondContact O-CB 3.42Å; P48-S52 PolarHBondContact O-N 2.89Å; S49-S52 PolarHBondContact O-N 3.11Å; S52-K55 PolarHBondContact O-N 3.45Å; S52-E56 WeakPolarHBondContact O-CB 3.46Å; S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 2.84Å; S52-E56 PolarHBondContact OG-OE1 3.26Å
53	L	68.8	Low	71.2	Confident	70 Å²	70	58.8 Å²	58.8	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-51.6	176.1	171.9	62	0	0	0	111.1	S49 Q50 K51 K55 E56 V57 Y100	S49-L53 VanDerWaalsContact O-CB 3.23Å; S49-L53 WeakPolarHBondContact O-CB 3.39Å; S49-L53 PolarHBondContact O-N 3.27Å; Q50-L53 WeakPolarHBondContact O-CB 3.25Å; Q50-L53 PolarHBondContact O-N 2.73Å; K51-L53 VanDerWaalsContact C-N 3.35Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 3.26Å; L53-E56 PolarHBondContact O-N 2.94Å; L53-E56 VanDerWaalsContact O-N 3.14Å; L53-V57 HydrophobicContact CD1-CG2 3.9Å; L53-V57 HydrophobicContact CG-CG2 4.41Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.07Å; L53-Y100 HydrophobicContact CD1-CD1 4Å; L53-Y100 HydrophobicContact CD1-CE1 3.12Å
54	Y	75.7	Confident	71.2	Confident	39 Å²	39	58.7 Å²	58.7	15%	0.153	32%	0.322	C	S	.	.	H	α-helix	trans	-54.3	-49.3	177.5	172.9	-101.1	0	0	0	112.1	H35 V36 F38 W43 Q50 K51 E56 V57 M58	H35-Y54 PolarHBondContact CD2-OH 3.41Å; H35-Y54 PolarHBondContact CE1-OH 3.22Å; H35-Y54 VanDerWaalsContact CE1-OH 3.28Å; H35-Y54 AromaticContact NE2-CZ 3.93Å; H35-Y54 PolarHBondContact NE2-OH 3.01Å; V36-Y54 HydrophobicContact CB-CE2 4.17Å; V36-Y54 WeakPolarHBondContact O-CE2 3.4Å; V36-Y54 PolarHBondContact O-OH 3.46Å; F38-Y54 HydrophobicContact CD2-CD2 4.09Å; F38-Y54 AromaticContact CD2-CE2 3.76Å; F38-Y54 HydrophobicContact CD2-CE2 3.76Å; F38-Y54 AromaticContact CD2-CZ 4Å; F38-Y54 AromaticContact CE2-CD2 3.41Å; F38-Y54 HydrophobicContact CE2-CD2 3.41Å; F38-Y54 VanDerWaalsContact CE2-CD2 3.41Å; F38-Y54 AromaticContact CE2-CE2 3.41Å; F38-Y54 HydrophobicContact CE2-CE2 3.41Å; F38-Y54 VanDerWaalsContact CE2-CE2 3.41Å; F38-Y54 HydrophobicContact CE2-CG 4.12Å; F38-Y54 HydrophobicContact CZ-CD2 4.4Å; W43-Y54 AromaticContact CH2-CD1 3.58Å; W43-Y54 HydrophobicContact CH2-CD1 3.58Å; W43-Y54 HydrophobicContact CH2-CE1 4.15Å; W43-Y54 HydrophobicContact CH2-CG 4.37Å; W43-Y54 AromaticContact CZ3-CD1 3.31Å; W43-Y54 HydrophobicContact CZ3-CD1 3.31Å; W43-Y54 AromaticContact CZ3-CE1 3.74Å; W43-Y54 HydrophobicContact CZ3-CE1 3.74Å; W43-Y54 AromaticContact CZ3-CG 3.87Å; W43-Y54 HydrophobicContact CZ3-CG 3.87Å; Q50-Y54 WeakPolarHBondContact O-CB 3.39Å; Q50-Y54 PolarHBondContact O-N 3.26Å; K51-Y54 PolarHBondContact O-N 2.8Å; Y54-E56 PolarHBondContact O-N 3.08Å; Y54-V57 PolarHBondContact O-N 2.89Å; Y54-M58 HydrophobicContact CD1-CG 4.41Å; Y54-M58 HydrophobicContact CD2-CG 4.03Å; Y54-M58 HydrophobicContact CE1-CG 4.01Å; Y54-M58 HydrophobicContact CE2-CG 3.57Å; Y54-M58 HydrophobicContact CE2-SD 4.15Å; Y54-M58 HydrophobicContact CG-CG 4.46Å; Y54-M58 WeakPolarHBondContact O-CB 3.36Å; Y54-M58 WeakPolarHBondContact O-CG 3.4Å; Y54-M58 PolarHBondContact O-N 3.22Å
55	K	70.4	Confident	70.8	Confident	87 Å²	87	57 Å²	57	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-44.1	177.4	-65.4	-177.8	175.5	-177	0	111.4	W43 K51 S52 L53 L59 F81	W43-K55 HydrophobicContact CH2-CG 4.49Å; K51-K55 VanDerWaalsContact O-CG 3.23Å; K51-K55 WeakPolarHBondContact O-CG 3.37Å; K51-K55 PolarHBondContact O-N 3.23Å; K51-K55 VanDerWaalsContact O-N 3.08Å; S52-K55 PolarHBondContact O-N 3.45Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 3.26Å; K55-L59 WeakPolarHBondContact O-CB 3.43Å; K55-L59 WeakPolarHBondContact O-CD1 3.28Å; K55-L59 WeakPolarHBondContact O-CG 3.33Å; K55-L59 PolarHBondContact O-N 2.74Å; K55-L59 VanDerWaalsContact O-N 3.14Å; K55-F81 HydrophobicContact CB-CD1 4.07Å; K55-F81 HydrophobicContact CB-CE1 3.86Å; K55-F81 HydrophobicContact CD-CD1 4.21Å; K55-F81 HydrophobicContact CD-CE1 3.6Å; K55-F81 HydrophobicContact CD-CZ 4.27Å; K55-F81 HydrophobicContact CG-CD1 4.25Å; K55-F81 HydrophobicContact CG-CE1 3.56Å; K55-F81 HydrophobicContact CG-CZ 4.46Å
56	E	68.4	Low	70	Confident	15 Å²	15	52.7 Å²	52.7	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-42.3	177.9	-77.8	-179.5	-137.4	0	0	112.6	S52 L53 Y54 E60 R85 R92 Y100	S52-E56 WeakPolarHBondContact O-CB 3.46Å; S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 2.84Å; S52-E56 PolarHBondContact OG-OE1 3.26Å; L53-E56 PolarHBondContact O-N 2.94Å; L53-E56 VanDerWaalsContact O-N 3.14Å; Y54-E56 PolarHBondContact O-N 3.08Å; E56-E60 WeakPolarHBondContact O-CB 3.12Å; E56-E60 PolarHBondContact O-N 2.99Å; E56-R85 HydrophobicContact CG-CG 4.39Å; E56-R92 IonicContact OE1-CZ 2.75Å; E56-R92 IonicContact OE1-NH1 3.78Å; E56-R92 PolarHBondContact OE1-NH1 2.82Å; E56-R92 IonicContact OE1-NH2 2.78Å; E56-R92 PolarHBondContact OE1-NH2 2.98Å; E56-R92 IonicContact OE2-CZ 3.49Å; E56-R92 IonicContact OE2-NH1 2.98Å; E56-R92 PolarHBondContact OE2-NH1 3.07Å; E56-R92 IonicContact OE2-NH2 3.34Å; E56-Y100 VanDerWaalsContact CD-OH 3.29Å; E56-Y100 PolarHBondContact OE2-OH 3.4Å
57	V	73.4	Confident	69.4	Low	36 Å²	36	53.9 Å²	53.9	22%	0.218	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-48.3	178.9	174	0	0	0	0	110.8	L53 Y54 L59 E60 T61	L53-V57 HydrophobicContact CD1-CG2 3.9Å; L53-V57 HydrophobicContact CG-CG2 4.41Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.07Å; Y54-V57 PolarHBondContact O-N 2.89Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.31Å; V57-E60 PolarHBondContact O-N 3.31Å; V57-E60 VanDerWaalsContact O-N 3.14Å; V57-T61 PolarHBondContact O-N 2.83Å; V57-T61 PolarHBondContact O-OG1 3.31Å; V57-T61 VanDerWaalsContact O-OG1 3.13Å
58	M	76.4	Confident	68.9	Low	18 Å²	18	53.3 Å²	53.3	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-39.6	-177.8	-75.6	-50.6	-43	0	0	112.7	V34 H35 Y54 T61 Y62	V34-M58 WeakPolarHBondContact O-CE 3.43Å; H35-M58 HydrophobicContact CB-CE 3.97Å; Y54-M58 HydrophobicContact CD1-CG 4.41Å; Y54-M58 HydrophobicContact CD2-CG 4.03Å; Y54-M58 HydrophobicContact CE1-CG 4.01Å; Y54-M58 HydrophobicContact CE2-CG 3.57Å; Y54-M58 HydrophobicContact CE2-SD 4.15Å; Y54-M58 HydrophobicContact CG-CG 4.46Å; Y54-M58 WeakPolarHBondContact O-CB 3.36Å; Y54-M58 WeakPolarHBondContact O-CG 3.4Å; Y54-M58 PolarHBondContact O-N 3.22Å; M58-T61 PolarHBondContact O-N 3.22Å; M58-Y62 WeakPolarHBondContact O-CB 3.47Å; M58-Y62 PolarHBondContact O-N 3.21Å
59	L	69.1	Low	68.6	Low	22 Å²	22	51 Å²	51	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-33.9	175	-67.2	167.7	0	0	0	113	K55 V57 Y62 E63 F81	K55-L59 WeakPolarHBondContact O-CB 3.43Å; K55-L59 WeakPolarHBondContact O-CD1 3.28Å; K55-L59 WeakPolarHBondContact O-CG 3.33Å; K55-L59 PolarHBondContact O-N 2.74Å; K55-L59 VanDerWaalsContact O-N 3.14Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.31Å; L59-Y62 WeakPolarHBondContact O-CB 3.38Å; L59-Y62 PolarHBondContact O-N 3.48Å; L59-E63 WeakPolarHBondContact O-CG 3.44Å; L59-E63 PolarHBondContact O-N 2.75Å; L59-F81 HydrophobicContact CD1-CB 3.71Å; L59-F81 HydrophobicContact CD1-CD1 3.93Å; L59-F81 HydrophobicContact CD1-CG 4.32Å; L59-F81 HydrophobicContact CD2-CB 3.68Å; L59-F81 HydrophobicContact CD2-CD1 4.15Å; L59-F81 HydrophobicContact CD2-CG 4.19Å; L59-F81 HydrophobicContact CG-CB 4.21Å; L59-F81 HydrophobicContact CG-CD1 4.17Å
60	E	71.2	Confident	68.6	Low	33 Å²	33	49.2 Å²	49.2	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-72.1	-39.3	176.7	-176.6	164.1	-121.9	0	0	111.3	E56 V57 Y62 E63 N64 H112 G113	E56-E60 WeakPolarHBondContact O-CB 3.12Å; E56-E60 PolarHBondContact O-N 2.99Å; V57-E60 PolarHBondContact O-N 3.31Å; V57-E60 VanDerWaalsContact O-N 3.14Å; E60-Y62 VanDerWaalsContact C-N 3.28Å; E60-Y62 PolarHBondContact O-N 3.37Å; E60-E63 PolarHBondContact O-N 2.81Å; E60-N64 WeakPolarHBondContact O-CB 3.36Å; E60-N64 PolarHBondContact O-N 2.95Å; E60-N64 PolarHBondContact O-ND2 3.48Å; E60-H112 WeakPolarHBondContact OE2-CB 3.36Å; E60-H112 IonicContact OE2-CE1 3.48Å; E60-H112 IonicContact OE2-CG 3.62Å; E60-H112 IonicContact OE2-ND1 3.88Å; E60-H112 PolarHBondContact OE2-ND1 3.08Å; E60-G113 VanDerWaalsContact CD-CA 3.48Å; E60-G113 WeakPolarHBondContact OE1-CA 3.26Å; E60-G113 PolarHBondContact OE1-N 3Å; E60-G113 VanDerWaalsContact OE2-CA 3.31Å; E60-G113 WeakPolarHBondContact OE2-CA 3.47Å; E60-G113 PolarHBondContact OE2-N 3.19Å
61	T	72.8	Confident	67.9	Low	43 Å²	43	52 Å²	52	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-45.2	169.8	-60.4	0	0	0	0	110.6	V34 V57 M58 L65	V34-T61 HydrophobicContact CB-CG2 3.97Å; V34-T61 HydrophobicContact CG2-CG2 4.33Å; V57-T61 PolarHBondContact O-N 2.83Å; V57-T61 PolarHBondContact O-OG1 3.31Å; V57-T61 VanDerWaalsContact O-OG1 3.13Å; M58-T61 PolarHBondContact O-N 3.22Å; T61-L65 HydrophobicContact CG2-CD1 3.9Å; T61-L65 WeakPolarHBondContact O-CD1 3.34Å; T61-L65 WeakPolarHBondContact O-CG 3.43Å; T61-L65 PolarHBondContact O-N 3.2Å
62	Y	69.3	Low	67.5	Low	34 Å²	34	51.2 Å²	51.2	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-55.2	-66.7	171.8	-178.7	-91.1	0	0	0	110.2	M58 L59 E60 N64 L65 T66 W72 E78	M58-Y62 WeakPolarHBondContact O-CB 3.47Å; M58-Y62 PolarHBondContact O-N 3.21Å; L59-Y62 WeakPolarHBondContact O-CB 3.38Å; L59-Y62 PolarHBondContact O-N 3.48Å; E60-Y62 VanDerWaalsContact C-N 3.28Å; E60-Y62 PolarHBondContact O-N 3.37Å; Y62-N64 PolarHBondContact O-N 3.12Å; Y62-L65 PolarHBondContact O-N 3.08Å; Y62-T66 PolarHBondContact O-N 3.08Å; Y62-T66 VanDerWaalsContact O-N 3.14Å; Y62-W72 VanDerWaalsContact C-CZ2 3.4Å; Y62-W72 VanDerWaalsContact CA-CZ2 3.46Å; Y62-W72 HydrophobicContact CD1-CE3 4.31Å; Y62-W72 AromaticContact CD1-CH2 3.27Å; Y62-W72 HydrophobicContact CD1-CH2 3.27Å; Y62-W72 HydrophobicContact CD1-CZ2 4.06Å; Y62-W72 AromaticContact CD1-CZ3 3.44Å; Y62-W72 HydrophobicContact CD1-CZ3 3.44Å; Y62-W72 VanDerWaalsContact CD1-CZ3 3.44Å; Y62-W72 AromaticContact CD2-CD2 3.45Å; Y62-W72 HydrophobicContact CD2-CD2 3.45Å; Y62-W72 VanDerWaalsContact CD2-CD2 3.45Å; Y62-W72 AromaticContact CD2-CE2 3.39Å; Y62-W72 AromaticContact CD2-CE3 3.57Å; Y62-W72 HydrophobicContact CD2-CE3 3.57Å; Y62-W72 HydrophobicContact CD2-CG 4.08Å; Y62-W72 AromaticContact CD2-CH2 3.35Å; Y62-W72 HydrophobicContact CD2-CH2 3.35Å; Y62-W72 AromaticContact CD2-CZ2 3.35Å; Y62-W72 HydrophobicContact CD2-CZ2 3.35Å; Y62-W72 AromaticContact CD2-CZ3 3.47Å; Y62-W72 HydrophobicContact CD2-CZ3 3.47Å; Y62-W72 VanDerWaalsContact CD2-CZ3 3.47Å; Y62-W72 AromaticContact CE1-CE3 3.76Å; Y62-W72 HydrophobicContact CE1-CE3 3.76Å; Y62-W72 AromaticContact CE1-CH2 3.47Å; Y62-W72 HydrophobicContact CE1-CH2 3.47Å; Y62-W72 VanDerWaalsContact CE1-CH2 3.47Å; Y62-W72 HydrophobicContact CE1-CZ2 4.45Å; Y62-W72 AromaticContact CE1-CZ3 3.05Å; Y62-W72 HydrophobicContact CE1-CZ3 3.05Å; Y62-W72 HydrophobicContact CE2-CB 4.1Å; Y62-W72 AromaticContact CE2-CD2 3.14Å; Y62-W72 HydrophobicContact CE2-CD2 3.14Å; Y62-W72 AromaticContact CE2-CE2 3.65Å; Y62-W72 AromaticContact CE2-CE3 2.93Å; Y62-W72 HydrophobicContact CE2-CE3 2.93Å; Y62-W72 AromaticContact CE2-CG 3.7Å; Y62-W72 HydrophobicContact CE2-CG 3.7Å; Y62-W72 AromaticContact CE2-CH2 3.57Å; Y62-W72 HydrophobicContact CE2-CH2 3.57Å; Y62-W72 AromaticContact CE2-CZ2 3.85Å; Y62-W72 HydrophobicContact CE2-CZ2 3.85Å; Y62-W72 AromaticContact CE2-CZ3 3.11Å; Y62-W72 HydrophobicContact CE2-CZ3 3.11Å; Y62-W72 HydrophobicContact CG-CD2 4.34Å; Y62-W72 HydrophobicContact CG-CE3 4.22Å; Y62-W72 AromaticContact CG-CH2 3.2Å; Y62-W72 HydrophobicContact CG-CH2 3.2Å; Y62-W72 AromaticContact CG-CZ2 3.48Å; Y62-W72 HydrophobicContact CG-CZ2 3.48Å; Y62-W72 VanDerWaalsContact CG-CZ2 3.48Å; Y62-W72 AromaticContact CG-CZ3 3.63Å; Y62-W72 HydrophobicContact CG-CZ3 3.63Å; Y62-W72 AromaticContact CZ-CD2 3.8Å; Y62-W72 AromaticContact CZ-CE3 3.04Å; Y62-W72 AromaticContact CZ-CH2 3.62Å; Y62-W72 AromaticContact CZ-CZ3 2.88Å; Y62-W72 WeakPolarHBondContact O-CH2 3.47Å; Y62-W72 WeakPolarHBondContact O-CZ2 3.31Å; Y62-W72 WeakPolarHBondContact OH-CZ3 3.37Å; Y62-E78 VanDerWaalsContact CE1-CD 3.45Å; Y62-E78 HydrophobicContact CE1-CG 4.3Å; Y62-E78 WeakPolarHBondContact CE1-OE1 3.31Å; Y62-E78 WeakPolarHBondContact CE1-OE2 3.5Å; Y62-E78 PolarHBondContact OH-OE2 3.06Å
63	E	66.2	Low	66.8	Low	72 Å²	72	58.3 Å²	58.3	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-47.8	-39.8	-178.1	-73.8	175.3	164	0	0	114.3	L59 E60 A67 R85	L59-E63 WeakPolarHBondContact O-CG 3.44Å; L59-E63 PolarHBondContact O-N 2.75Å; E60-E63 PolarHBondContact O-N 2.81Å; E63-A67 WeakPolarHBondContact O-CB 3.45Å; E63-A67 PolarHBondContact O-N 3.03Å; E63-A67 VanDerWaalsContact O-N 3.08Å; E63-R85 IonicContact OE1-CZ 3.41Å; E63-R85 IonicContact OE1-NH1 3.79Å; E63-R85 PolarHBondContact OE1-NH1 2.86Å; E63-R85 IonicContact OE2-CZ 2.69Å; E63-R85 IonicContact OE2-NH1 3.95Å; E63-R85 PolarHBondContact OE2-NH1 3.21Å; E63-R85 IonicContact OE2-NH2 2.71Å; E63-R85 PolarHBondContact OE2-NH2 3.49Å
64	N	68.6	Low	66.2	Low	64 Å²	64	60.4 Å²	60.4	34%	0.342	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-38.8	177.9	-73.4	-36.1	0	0	0	113.6	E60 Y62 A67 I68	E60-N64 WeakPolarHBondContact O-CB 3.36Å; E60-N64 PolarHBondContact O-N 2.95Å; E60-N64 PolarHBondContact O-ND2 3.48Å; Y62-N64 PolarHBondContact O-N 3.12Å; N64-A67 PolarHBondContact O-N 3.35Å; N64-I68 PolarHBondContact O-N 3.03Å
65	L	66.3	Low	65.2	Low	23 Å²	23	66 Å²	66	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-75.1	-38.2	-179	-66.5	167.8	0	0	0	111.8	M29 V34 T61 Y62 A67 I68 G69 Y70 W72	M29-L65 HydrophobicContact CE-CD2 3.56Å; V34-L65 HydrophobicContact CB-CD1 3.91Å; V34-L65 HydrophobicContact CG1-CD1 3.62Å; V34-L65 HydrophobicContact CG2-CD1 3.76Å; T61-L65 HydrophobicContact CG2-CD1 3.9Å; T61-L65 WeakPolarHBondContact O-CD1 3.34Å; T61-L65 WeakPolarHBondContact O-CG 3.43Å; T61-L65 PolarHBondContact O-N 3.2Å; Y62-L65 PolarHBondContact O-N 3.08Å; L65-A67 VanDerWaalsContact C-N 3.3Å; L65-A67 PolarHBondContact O-N 2.84Å; L65-I68 HydrophobicContact CD2-CD1 3.95Å; L65-I68 WeakPolarHBondContact O-CG1 3.46Å; L65-I68 PolarHBondContact O-N 3.12Å; L65-G69 PolarHBondContact O-N 3.23Å; L65-Y70 PolarHBondContact O-N 3.35Å; L65-W72 HydrophobicContact CB-CZ2 3.79Å
66	T	63.7	Low	64.3	Low	59 Å²	59	71.8 Å²	71.8	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-39.4	169.1	-100.3	0	0	0	0	112	Y62 I68 G69 Y70 W72	Y62-T66 PolarHBondContact O-N 3.08Å; Y62-T66 VanDerWaalsContact O-N 3.14Å; T66-I68 PolarHBondContact O-N 3.41Å; T66-I68 VanDerWaalsContact O-N 3.1Å; T66-G69 PolarHBondContact O-N 2.98Å; T66-Y70 VanDerWaalsContact CA-O 3.26Å; T66-Y70 WeakPolarHBondContact CA-O 3.35Å; T66-Y70 PolarHBondContact OG1-O 3.3Å; T66-W72 HydrophobicContact CG2-CH2 4.43Å; T66-W72 HydrophobicContact CG2-CZ3 4.33Å; T66-W72 VanDerWaalsContact OG1-CE3 3.32Å; T66-W72 WeakPolarHBondContact OG1-CH2 3.42Å; T66-W72 WeakPolarHBondContact OG1-CZ3 3.45Å
67	A	63	Low	63.6	Low	54 Å²	54	75.5 Å²	75.5	45%	0.446	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-19.8	178.3	0	0	0	0	0	113.9	E63 N64 L65	E63-A67 WeakPolarHBondContact O-CB 3.45Å; E63-A67 PolarHBondContact O-N 3.03Å; E63-A67 VanDerWaalsContact O-N 3.08Å; N64-A67 PolarHBondContact O-N 3.35Å; L65-A67 VanDerWaalsContact C-N 3.3Å; L65-A67 PolarHBondContact O-N 2.84Å
68	I	64.1	Low	62.8	Low	64 Å²	64	75.8 Å²	75.8	33%	0.328	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5.6	174.1	64.4	172.7	0	0	0	113.3	N64 L65 T66 Y70	N64-I68 PolarHBondContact O-N 3.03Å; L65-I68 HydrophobicContact CD2-CD1 3.95Å; L65-I68 WeakPolarHBondContact O-CG1 3.46Å; L65-I68 PolarHBondContact O-N 3.12Å; T66-I68 PolarHBondContact O-N 3.41Å; T66-I68 VanDerWaalsContact O-N 3.1Å; I68-Y70 HydrophobicContact CD1-CD2 3.8Å; I68-Y70 HydrophobicContact CD1-CE2 3.69Å; I68-Y70 HydrophobicContact CG1-CD2 3.68Å; I68-Y70 HydrophobicContact CG1-CE2 3.95Å
69	G	58.4	Low	61.9	Low	61 Å²	61	82 Å²	82	63%	0.629	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	21.9	170.3	0	0	0	0	0	115.7	L65 T66	L65-G69 PolarHBondContact O-N 3.23Å; T66-G69 PolarHBondContact O-N 2.98Å
70	Y	63	Low	61.3	Low	51 Å²	51	87.6 Å²	87.6	20%	0.2	44%	0.444	C	S	.	.			trans	-93.9	117.6	168.1	-67.9	-86.2	0	0	0	109.8	M29 L65 T66 I68	M29-Y70 HydrophobicContact CB-CD1 3.73Å; M29-Y70 HydrophobicContact CB-CE1 3.8Å; M29-Y70 HydrophobicContact CB-CG 4.46Å; M29-Y70 HydrophobicContact CE-CD1 4.12Å; M29-Y70 HydrophobicContact CE-CD2 3.69Å; M29-Y70 HydrophobicContact CE-CE1 3.78Å; M29-Y70 HydrophobicContact CE-CE2 3.36Å; M29-Y70 HydrophobicContact CE-CG 4.08Å; M29-Y70 HydrophobicContact CG-CD1 4.07Å; M29-Y70 HydrophobicContact CG-CE1 3.6Å; M29-Y70 HydrophobicContact SD-CE1 4.5Å; L65-Y70 PolarHBondContact O-N 3.35Å; T66-Y70 VanDerWaalsContact CA-O 3.26Å; T66-Y70 WeakPolarHBondContact CA-O 3.35Å; T66-Y70 PolarHBondContact OG1-O 3.3Å; I68-Y70 HydrophobicContact CD1-CD2 3.8Å; I68-Y70 HydrophobicContact CD1-CE2 3.69Å; I68-Y70 HydrophobicContact CG1-CD2 3.68Å; I68-Y70 HydrophobicContact CG1-CE2 3.95Å
71	N	58.4	Low	60.7	Low	146 Å²	146	89.1 Å²	89.1	78%	0.781	45%	0.45	S	S	*	.			trans	-90.6	147.2	170.7	-93.7	-6.4	0	0	0	110.1
72	W	63.4	Low	60	Low	37 Å²	37	89.3 Å²	89.3	14%	0.14	45%	0.448	C	S	.	.			trans	-118.1	154.5	169.2	-33.9	-97.4	0	0	0	108.6	Y62 L65 T66	Y62-W72 VanDerWaalsContact C-CZ2 3.4Å; Y62-W72 VanDerWaalsContact CA-CZ2 3.46Å; Y62-W72 HydrophobicContact CD1-CE3 4.31Å; Y62-W72 AromaticContact CD1-CH2 3.27Å; Y62-W72 HydrophobicContact CD1-CH2 3.27Å; Y62-W72 HydrophobicContact CD1-CZ2 4.06Å; Y62-W72 AromaticContact CD1-CZ3 3.44Å; Y62-W72 HydrophobicContact CD1-CZ3 3.44Å; Y62-W72 VanDerWaalsContact CD1-CZ3 3.44Å; Y62-W72 AromaticContact CD2-CD2 3.45Å; Y62-W72 HydrophobicContact CD2-CD2 3.45Å; Y62-W72 VanDerWaalsContact CD2-CD2 3.45Å; Y62-W72 AromaticContact CD2-CE2 3.39Å; Y62-W72 AromaticContact CD2-CE3 3.57Å; Y62-W72 HydrophobicContact CD2-CE3 3.57Å; Y62-W72 HydrophobicContact CD2-CG 4.08Å; Y62-W72 AromaticContact CD2-CH2 3.35Å; Y62-W72 HydrophobicContact CD2-CH2 3.35Å; Y62-W72 AromaticContact CD2-CZ2 3.35Å; Y62-W72 HydrophobicContact CD2-CZ2 3.35Å; Y62-W72 AromaticContact CD2-CZ3 3.47Å; Y62-W72 HydrophobicContact CD2-CZ3 3.47Å; Y62-W72 VanDerWaalsContact CD2-CZ3 3.47Å; Y62-W72 AromaticContact CE1-CE3 3.76Å; Y62-W72 HydrophobicContact CE1-CE3 3.76Å; Y62-W72 AromaticContact CE1-CH2 3.47Å; Y62-W72 HydrophobicContact CE1-CH2 3.47Å; Y62-W72 VanDerWaalsContact CE1-CH2 3.47Å; Y62-W72 HydrophobicContact CE1-CZ2 4.45Å; Y62-W72 AromaticContact CE1-CZ3 3.05Å; Y62-W72 HydrophobicContact CE1-CZ3 3.05Å; Y62-W72 HydrophobicContact CE2-CB 4.1Å; Y62-W72 AromaticContact CE2-CD2 3.14Å; Y62-W72 HydrophobicContact CE2-CD2 3.14Å; Y62-W72 AromaticContact CE2-CE2 3.65Å; Y62-W72 AromaticContact CE2-CE3 2.93Å; Y62-W72 HydrophobicContact CE2-CE3 2.93Å; Y62-W72 AromaticContact CE2-CG 3.7Å; Y62-W72 HydrophobicContact CE2-CG 3.7Å; Y62-W72 AromaticContact CE2-CH2 3.57Å; Y62-W72 HydrophobicContact CE2-CH2 3.57Å; Y62-W72 AromaticContact CE2-CZ2 3.85Å; Y62-W72 HydrophobicContact CE2-CZ2 3.85Å; Y62-W72 AromaticContact CE2-CZ3 3.11Å; Y62-W72 HydrophobicContact CE2-CZ3 3.11Å; Y62-W72 HydrophobicContact CG-CD2 4.34Å; Y62-W72 HydrophobicContact CG-CE3 4.22Å; Y62-W72 AromaticContact CG-CH2 3.2Å; Y62-W72 HydrophobicContact CG-CH2 3.2Å; Y62-W72 AromaticContact CG-CZ2 3.48Å; Y62-W72 HydrophobicContact CG-CZ2 3.48Å; Y62-W72 VanDerWaalsContact CG-CZ2 3.48Å; Y62-W72 AromaticContact CG-CZ3 3.63Å; Y62-W72 HydrophobicContact CG-CZ3 3.63Å; Y62-W72 AromaticContact CZ-CD2 3.8Å; Y62-W72 AromaticContact CZ-CE3 3.04Å; Y62-W72 AromaticContact CZ-CH2 3.62Å; Y62-W72 AromaticContact CZ-CZ3 2.88Å; Y62-W72 WeakPolarHBondContact O-CH2 3.47Å; Y62-W72 WeakPolarHBondContact O-CZ2 3.31Å; Y62-W72 WeakPolarHBondContact OH-CZ3 3.37Å; L65-W72 HydrophobicContact CB-CZ2 3.79Å; T66-W72 HydrophobicContact CG2-CH2 4.43Å; T66-W72 HydrophobicContact CG2-CZ3 4.33Å; T66-W72 VanDerWaalsContact OG1-CE3 3.32Å; T66-W72 WeakPolarHBondContact OG1-CH2 3.42Å; T66-W72 WeakPolarHBondContact OG1-CZ3 3.45Å
73	E	53.1	Low	59.6	Low	196 Å²	196	91.5 Å²	91.5	92%	0.916	47%	0.468	S	S	*	.	S	Bend	trans	-89.3	1.6	-173.6	-64.5	-164.9	152.2	0	0	114.5
74	D	56.2	Low	59.3	Low	114 Å²	114	92.2 Å²	92.2	61%	0.61	48%	0.481	S	S	*	.			trans	-109.4	95.9	-171.4	-78.7	-40.6	0	0	0	114.5
75	H	54.8	Low	59.1	Low	157 Å²	157	90.1 Å²	90.1	73%	0.727	47%	0.469	S	S	*	.			trans	-90.6	-11	-173.5	-131.7	-74.9	0	0	0	115.2
76	Y	50.1	Low	59	Low	208 Å²	208	96.4 Å²	96.4	82%	0.816	49%	0.491	S	S	*	.	H	α-helix	trans	-85.8	-29.4	-171.2	-175.8	-106.9	0	0	0	114.3	E78	Y76-E78 VanDerWaalsContact C-N 3.31Å
77	I	54.8	Low	59.2	Low	94 Å²	94	97.4 Å²	97.4	48%	0.482	49%	0.494	S	S	.	.	H	α-helix	trans	-76.7	-24.5	179.3	-64.1	176.5	0	0	0	110.9	F81	I77-F81 HydrophobicContact CG2-CD2 3.65Å; I77-F81 HydrophobicContact CG2-CE2 3.55Å; I77-F81 HydrophobicContact CG2-CG 4.42Å; I77-F81 HydrophobicContact CG2-CZ 4.23Å; I77-F81 WeakPolarHBondContact O-CB 3.48Å; I77-F81 WeakPolarHBondContact O-CD2 3.27Å
78	E	56.7	Low	59.5	Low	42 Å²	42	96 Å²	96	20%	0.196	48%	0.484	C	S	.	.	H	α-helix	trans	-68.3	-41.9	-170.4	-176	164.9	-172.5	0	0	113.5	Y62 Y76 Q82	Y62-E78 VanDerWaalsContact CE1-CD 3.45Å; Y62-E78 HydrophobicContact CE1-CG 4.3Å; Y62-E78 WeakPolarHBondContact CE1-OE1 3.31Å; Y62-E78 WeakPolarHBondContact CE1-OE2 3.5Å; Y62-E78 PolarHBondContact OH-OE2 3.06Å; Y76-E78 VanDerWaalsContact C-N 3.31Å; E78-Q82 HydrophobicContact CG-CG 4.25Å; E78-Q82 VanDerWaalsContact O-CB 3.31Å; E78-Q82 WeakPolarHBondContact O-CB 3.44Å; E78-Q82 WeakPolarHBondContact O-CG 3.3Å; E78-Q82 PolarHBondContact O-N 2.95Å; E78-Q82 PolarHBondContact OE1-NE2 3.43Å
79	E	57.6	Low	60	Low	147 Å²	147	95.9 Å²	95.9	69%	0.687	48%	0.48	S	S	*	.	H	α-helix	trans	-70	-45.9	-172.1	-168.4	178.3	-161.1	0	0	113.4	F81 Q82 S83	E79-F81 VanDerWaalsContact C-N 3.35Å; E79-F81 PolarHBondContact O-N 2.84Å; E79-Q82 PolarHBondContact O-N 3.22Å; E79-S83 PolarHBondContact O-N 3.25Å; E79-S83 VanDerWaalsContact O-N 3.16Å
80	Q	55.8	Low	60.8	Low	141 Å²	141	98.6 Å²	98.6	66%	0.659	48%	0.476	S	S	*	.	H	α-helix	trans	-65	-39.9	179.9	-69.5	-65.8	-34.6	0	0	111.8	S84	Q80-S84 PolarHBondContact O-N 2.97Å
81	F	57.9	Low	61.4	Low	65 Å²	65	101.6 Å²	101.6	29%	0.285	49%	0.49	S	S	.	.	H	α-helix	trans	-71.3	-37.4	177.9	-85.9	-105.9	0	0	0	112.4	K55 L59 I77 E79 R85	K55-F81 HydrophobicContact CB-CD1 4.07Å; K55-F81 HydrophobicContact CB-CE1 3.86Å; K55-F81 HydrophobicContact CD-CD1 4.21Å; K55-F81 HydrophobicContact CD-CE1 3.6Å; K55-F81 HydrophobicContact CD-CZ 4.27Å; K55-F81 HydrophobicContact CG-CD1 4.25Å; K55-F81 HydrophobicContact CG-CE1 3.56Å; K55-F81 HydrophobicContact CG-CZ 4.46Å; L59-F81 HydrophobicContact CD1-CB 3.71Å; L59-F81 HydrophobicContact CD1-CD1 3.93Å; L59-F81 HydrophobicContact CD1-CG 4.32Å; L59-F81 HydrophobicContact CD2-CB 3.68Å; L59-F81 HydrophobicContact CD2-CD1 4.15Å; L59-F81 HydrophobicContact CD2-CG 4.19Å; L59-F81 HydrophobicContact CG-CB 4.21Å; L59-F81 HydrophobicContact CG-CD1 4.17Å; I77-F81 HydrophobicContact CG2-CD2 3.65Å; I77-F81 HydrophobicContact CG2-CE2 3.55Å; I77-F81 HydrophobicContact CG2-CG 4.42Å; I77-F81 HydrophobicContact CG2-CZ 4.23Å; I77-F81 WeakPolarHBondContact O-CB 3.48Å; I77-F81 WeakPolarHBondContact O-CD2 3.27Å; E79-F81 VanDerWaalsContact C-N 3.35Å; E79-F81 PolarHBondContact O-N 2.84Å; F81-R85 WeakPolarHBondContact O-CB 3.45Å; F81-R85 PolarHBondContact O-N 3.36Å; F81-R85 VanDerWaalsContact O-N 3.13Å
82	Q	59.7	Low	62.4	Low	47 Å²	47	96 Å²	96	22%	0.22	46%	0.458	C	S	.	.	H	α-helix	trans	-64.2	-40.1	176.4	-79.8	-174.9	23.5	0	0	112.8	E78 E79 R86	E78-Q82 HydrophobicContact CG-CG 4.25Å; E78-Q82 VanDerWaalsContact O-CB 3.31Å; E78-Q82 WeakPolarHBondContact O-CB 3.44Å; E78-Q82 WeakPolarHBondContact O-CG 3.3Å; E78-Q82 PolarHBondContact O-N 2.95Å; E78-Q82 PolarHBondContact OE1-NE2 3.43Å; E79-Q82 PolarHBondContact O-N 3.22Å; Q82-R86 VanDerWaalsContact O-CG 3.29Å; Q82-R86 WeakPolarHBondContact O-CG 3.23Å; Q82-R86 PolarHBondContact O-N 3.49Å
83	S	59.5	Low	63	Low	79 Å²	79	97.3 Å²	97.3	55%	0.552	48%	0.483	S	S	*	.	H	α-helix	trans	-64.7	-50.9	179.5	-174.8	0	0	0	0	112	E79 R85 R86 D87	E79-S83 PolarHBondContact O-N 3.25Å; E79-S83 VanDerWaalsContact O-N 3.16Å; S83-R85 VanDerWaalsContact C-N 3.31Å; S83-R85 PolarHBondContact O-N 2.81Å; S83-R86 PolarHBondContact O-N 3Å; S83-R86 VanDerWaalsContact O-N 3.08Å; S83-D87 PolarHBondContact O-N 3.3Å
84	S	61	Low	64.1	Low	87 Å²	87	94.8 Å²	94.8	61%	0.608	47%	0.471	S	S	*	.	H	α-helix	trans	-58.4	-41.1	176.9	-179.2	0	0	0	0	112.4	Q80 R86 D87 G88	Q80-S84 PolarHBondContact O-N 2.97Å; S84-R86 PolarHBondContact O-N 3.48Å; S84-D87 PolarHBondContact O-N 2.85Å; S84-G88 PolarHBondContact O-N 2.9Å
85	R	64.3	Low	65.3	Low	21 Å²	21	94 Å²	94	8%	0.079	47%	0.47	C	S	.	.	H	α-helix	trans	-65.5	-35.2	176.2	-171.5	-174.4	172.6	-148.6	7.9	112.8	E56 E63 F81 S83 R89	E56-R85 HydrophobicContact CG-CG 4.39Å; E63-R85 IonicContact OE1-CZ 3.41Å; E63-R85 IonicContact OE1-NH1 3.79Å; E63-R85 PolarHBondContact OE1-NH1 2.86Å; E63-R85 IonicContact OE2-CZ 2.69Å; E63-R85 IonicContact OE2-NH1 3.95Å; E63-R85 PolarHBondContact OE2-NH1 3.21Å; E63-R85 IonicContact OE2-NH2 2.71Å; E63-R85 PolarHBondContact OE2-NH2 3.49Å; F81-R85 WeakPolarHBondContact O-CB 3.45Å; F81-R85 PolarHBondContact O-N 3.36Å; F81-R85 VanDerWaalsContact O-N 3.13Å; S83-R85 VanDerWaalsContact C-N 3.31Å; S83-R85 PolarHBondContact O-N 2.81Å; R85-R89 HydrophobicContact CG-CG 4.41Å; R85-R89 VanDerWaalsContact O-CB 3.28Å; R85-R89 WeakPolarHBondContact O-CB 3.47Å; R85-R89 WeakPolarHBondContact O-CG 3.46Å; R85-R89 PolarHBondContact O-N 3.17Å; R85-R89 PolarHBondContact O-NE 3.48Å
86	R	64.2	Low	66.6	Low	155 Å²	155	88.9 Å²	88.9	59%	0.585	46%	0.46	S	S	*	.	H	α-helix	trans	-67	-44.8	178.2	-75.3	173.2	-165.7	-165.4	8.2	110.5	Q82 S83 S84 R89 H90	Q82-R86 VanDerWaalsContact O-CG 3.29Å; Q82-R86 WeakPolarHBondContact O-CG 3.23Å; Q82-R86 PolarHBondContact O-N 3.49Å; S83-R86 PolarHBondContact O-N 3Å; S83-R86 VanDerWaalsContact O-N 3.08Å; S84-R86 PolarHBondContact O-N 3.48Å; R86-R89 PolarHBondContact O-N 2.92Å; R86-H90 VanDerWaalsContact O-CB 3.3Å; R86-H90 WeakPolarHBondContact O-CB 3.27Å; R86-H90 PolarHBondContact O-N 2.89Å
87	D	67.9	Low	68.1	Low	80 Å²	80	83.8 Å²	83.8	43%	0.428	44%	0.443	S	S	.	.	H	α-helix	trans	-65.4	-46.5	178.7	-169.6	35	0	0	0	111.9	S83 S84 R89 H90 K91	S83-D87 PolarHBondContact O-N 3.3Å; S84-D87 PolarHBondContact O-N 2.85Å; D87-R89 PolarHBondContact O-N 3.19Å; D87-H90 PolarHBondContact O-N 3.09Å; D87-K91 WeakPolarHBondContact O-CB 3.39Å; D87-K91 WeakPolarHBondContact O-CG 3.43Å; D87-K91 PolarHBondContact O-N 3.14Å; D87-K91 VanDerWaalsContact OD1-CE 3.29Å; D87-K91 WeakPolarHBondContact OD1-CE 3.24Å; D87-K91 IonicContact OD1-NZ 2.84Å; D87-K91 WeakPolarHBondContact OD2-CE 3.44Å; D87-K91 IonicContact OD2-NZ 2.78Å; D87-K91 PolarHBondContact OD2-NZ 2.77Å
88	G	69.3	Low	69.6	Low	23 Å²	23	85.4 Å²	85.4	24%	0.237	45%	0.447	C	S	.	.	H	α-helix	trans	-60.3	-44.4	175.5	0	0	0	0	0	113.5	S84 H90 K91 R92	S84-G88 PolarHBondContact O-N 2.9Å; G88-H90 PolarHBondContact O-N 2.93Å; G88-K91 PolarHBondContact O-N 3.35Å; G88-R92 WeakPolarHBondContact O-CG 3.23Å; G88-R92 PolarHBondContact O-N 3.11Å; G88-R92 VanDerWaalsContact O-N 3.13Å
89	R	74.8	Confident	70.7	Confident	63 Å²	63	86.3 Å²	86.3	24%	0.238	46%	0.457	C	S	.	.	H	α-helix	trans	-65.1	-38.2	176.4	-76.1	-176.5	-66.5	-165.2	-6.6	112.8	R85 R86 D87 G93	R85-R89 HydrophobicContact CG-CG 4.41Å; R85-R89 VanDerWaalsContact O-CB 3.28Å; R85-R89 WeakPolarHBondContact O-CB 3.47Å; R85-R89 WeakPolarHBondContact O-CG 3.46Å; R85-R89 PolarHBondContact O-N 3.17Å; R85-R89 PolarHBondContact O-NE 3.48Å; R86-R89 PolarHBondContact O-N 2.92Å; D87-R89 PolarHBondContact O-N 3.19Å; R89-G93 PolarHBondContact O-N 3.48Å
90	H	75.4	Confident	71.9	Confident	117 Å²	117	79.8 Å²	79.8	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-65.1	-47.8	178.2	179.6	71	0	0	0	110.5	R86 D87 G88 R92 G93 H94	R86-H90 VanDerWaalsContact O-CB 3.3Å; R86-H90 WeakPolarHBondContact O-CB 3.27Å; R86-H90 PolarHBondContact O-N 2.89Å; D87-H90 PolarHBondContact O-N 3.09Å; G88-H90 PolarHBondContact O-N 2.93Å; H90-R92 PolarHBondContact O-N 2.98Å; H90-G93 PolarHBondContact O-N 3Å; H90-H94 AromaticContact CD2-CD2 3.94Å; H90-H94 AromaticContact CD2-NE2 3.66Å; H90-H94 AromaticContact CE1-NE2 3.22Å; H90-H94 PolarHBondContact CE1-NE2 3.46Å; H90-H94 AromaticContact ND1-NE2 3.99Å; H90-H94 AromaticContact NE2-CD2 3.68Å; H90-H94 AromaticContact NE2-NE2 2.94Å; H90-H94 PolarHBondContact NE2-NE2 3.4Å; H90-H94 PolarHBondContact O-CD2 2.75Å
91	K	74.8	Confident	73.3	Confident	114 Å²	114	78.4 Å²	78.4	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-58.3	-43.9	178	-74.6	171.5	175.1	166.6	0	112.8	D87 G88 G93 H94 T95	D87-K91 WeakPolarHBondContact O-CB 3.39Å; D87-K91 WeakPolarHBondContact O-CG 3.43Å; D87-K91 PolarHBondContact O-N 3.14Å; D87-K91 VanDerWaalsContact OD1-CE 3.29Å; D87-K91 WeakPolarHBondContact OD1-CE 3.24Å; D87-K91 IonicContact OD1-NZ 2.84Å; D87-K91 WeakPolarHBondContact OD2-CE 3.44Å; D87-K91 IonicContact OD2-NZ 2.78Å; D87-K91 PolarHBondContact OD2-NZ 2.77Å; G88-K91 PolarHBondContact O-N 3.35Å; K91-G93 PolarHBondContact O-N 2.95Å; K91-H94 PolarHBondContact O-N 3.18Å; K91-T95 PolarHBondContact O-N 3.45Å; K91-T95 VanDerWaalsContact O-N 3.08Å; K91-T95 PolarHBondContact O-OG1 3.44Å
92	R	79.1	Confident	74.4	Confident	29 Å²	29	75.4 Å²	75.4	11%	0.109	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-26.5	175.6	-68.8	-174.4	-170.4	142	9.1	113.8	E56 G88 H90 H94 T95 G96 E97	E56-R92 IonicContact OE1-CZ 2.75Å; E56-R92 IonicContact OE1-NH1 3.78Å; E56-R92 PolarHBondContact OE1-NH1 2.82Å; E56-R92 IonicContact OE1-NH2 2.78Å; E56-R92 PolarHBondContact OE1-NH2 2.98Å; E56-R92 IonicContact OE2-CZ 3.49Å; E56-R92 IonicContact OE2-NH1 2.98Å; E56-R92 PolarHBondContact OE2-NH1 3.07Å; E56-R92 IonicContact OE2-NH2 3.34Å; G88-R92 WeakPolarHBondContact O-CG 3.23Å; G88-R92 PolarHBondContact O-N 3.11Å; G88-R92 VanDerWaalsContact O-N 3.13Å; H90-R92 PolarHBondContact O-N 2.98Å; R92-H94 VanDerWaalsContact C-N 3.32Å; R92-T95 WeakPolarHBondContact CA-OG1 3.35Å; R92-G96 PolarHBondContact O-N 3.08Å; R92-E97 HydrophobicContact CG-CB 4.22Å; R92-E97 IonicContact NE-OE2 3.55Å
93	G	75.9	Confident	75.5	Confident	65 Å²	65	80.4 Å²	80.4	67%	0.67	43%	0.434	S	S	*	.	H	α-helix	trans	-67.2	-33.1	174.1	0	0	0	0	0	113.1	R89 H90 K91	R89-G93 PolarHBondContact O-N 3.48Å; H90-G93 PolarHBondContact O-N 3Å; K91-G93 PolarHBondContact O-N 2.95Å
94	H	75.9	Confident	76.3	Confident	143 Å²	143	83.6 Å²	83.6	66%	0.662	44%	0.44	S	S	*	.	H	α-helix	trans	-82.3	-38.2	177.6	-64.1	-62	0	0	0	112.5	H90 K91 R92	H90-H94 AromaticContact CD2-CD2 3.94Å; H90-H94 AromaticContact CD2-NE2 3.66Å; H90-H94 AromaticContact CE1-NE2 3.22Å; H90-H94 PolarHBondContact CE1-NE2 3.46Å; H90-H94 AromaticContact ND1-NE2 3.99Å; H90-H94 AromaticContact NE2-CD2 3.68Å; H90-H94 AromaticContact NE2-NE2 2.94Å; H90-H94 PolarHBondContact NE2-NE2 3.4Å; H90-H94 PolarHBondContact O-CD2 2.75Å; K91-H94 PolarHBondContact O-N 3.18Å; R92-H94 VanDerWaalsContact C-N 3.32Å
95	T	82.2	Confident	77.5	Confident	98 Å²	98	82.2 Å²	82.2	60%	0.601	43%	0.43	S	S	*	.	H	α-helix	trans	-85.1	-16.8	-176.1	60.4	0	0	0	0	113.5	K91 R92 E97	K91-T95 PolarHBondContact O-N 3.45Å; K91-T95 VanDerWaalsContact O-N 3.08Å; K91-T95 PolarHBondContact O-OG1 3.44Å; R92-T95 WeakPolarHBondContact CA-OG1 3.35Å; T95-E97 PolarHBondContact O-N 3.14Å; T95-E97 WeakPolarHBondContact OG1-CB 3.42Å; T95-E97 PolarHBondContact OG1-N 3.31Å
96	G	81.6	Confident	78.5	Confident	49 Å²	49	83.1 Å²	83.1	51%	0.505	45%	0.446	S	S	.	.			trans	70.2	11.3	-174.5	0	0	0	0	0	113.8	R92 K98	R92-G96 PolarHBondContact O-N 3.08Å; G96-K98 PolarHBondContact O-N 3.2Å
97	E	82.6	Confident	79.6	Confident	100 Å²	100	78.6 Å²	78.6	47%	0.467	44%	0.435	S	S	.	.			trans	-60.7	131.1	-179.8	-168.5	-167.6	172.1	0	0	110.8	R92 T95 P99 A110	R92-E97 HydrophobicContact CG-CB 4.22Å; R92-E97 IonicContact NE-OE2 3.55Å; T95-E97 PolarHBondContact O-N 3.14Å; T95-E97 WeakPolarHBondContact OG1-CB 3.42Å; T95-E97 PolarHBondContact OG1-N 3.31Å; E97-P99 HydrophobicContact CG-CG 3.92Å; E97-P99 WeakPolarHBondContact O-CD 3.31Å; E97-A110 WeakPolarHBondContact O-CB 3.1Å
98	K	84.9	Confident	80.6	Confident	129 Å²	129	76.3 Å²	76.3	56%	0.561	43%	0.428	S	S	*	.			trans	-125.4	76.1	179.6	-67.5	174.1	-178.1	-177.6	0	110.8	G96 Y100 A108 F109 A110	G96-K98 PolarHBondContact O-N 3.2Å; K98-Y100 PolarHBondContact O-N 2.85Å; K98-Y100 VanDerWaalsContact O-N 3.14Å; K98-A108 HydrophobicContact CB-CB 3.7Å; K98-A108 HydrophobicContact CD-CB 4.31Å; K98-F109 CarbonylContact C-O 3.38Å; K98-F109 VanDerWaalsContact C-O 3.25Å; K98-F109 VanDerWaalsContact CA-O 3.25Å; K98-F109 WeakPolarHBondContact CA-O 3.43Å; K98-A110 HydrophobicContact CG-CB 4.44Å
99	P	80.7	Confident	81.3	Confident	61 Å²	61	77 Å²	77	40%	0.396	42%	0.424	S	S	.	.			trans	-68.2	-14.3	-174.3	-18.6	31.6	0	0	0	114.3	E97	E97-P99 HydrophobicContact CG-CG 3.92Å; E97-P99 WeakPolarHBondContact O-CD 3.31Å
100	Y	81.9	Confident	81.8	Confident	10 Å²	10	75.5 Å²	75.5	4%	0.039	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	95.7	-167.5	-61.6	-83.3	0	0	0	111	L53 E56 K98 A108 F109 H112 L115	L53-Y100 HydrophobicContact CD1-CD1 4Å; L53-Y100 HydrophobicContact CD1-CE1 3.12Å; E56-Y100 VanDerWaalsContact CD-OH 3.29Å; E56-Y100 PolarHBondContact OE2-OH 3.4Å; K98-Y100 PolarHBondContact O-N 2.85Å; K98-Y100 VanDerWaalsContact O-N 3.14Å; Y100-A108 CarbonylContact O-C 3.46Å; Y100-A108 VanDerWaalsContact O-CA 3.31Å; Y100-A108 WeakPolarHBondContact O-CA 3.31Å; Y100-F109 VanDerWaalsContact CB-O 3.31Å; Y100-F109 WeakPolarHBondContact CB-O 3.38Å; Y100-F109 WeakPolarHBondContact CD2-O 3.19Å; Y100-F109 PolarHBondContact N-O 3.04Å; Y100-F109 VanDerWaalsContact N-O 3.09Å; Y100-F109 PolarHBondContact O-N 3.29Å; Y100-H112 HydrophobicContact CD1-CB 3.88Å; Y100-H112 AromaticContact CD1-CD2 3.87Å; Y100-H112 HydrophobicContact CE1-CB 3.39Å; Y100-H112 AromaticContact CE1-CD2 3.76Å; Y100-H112 AromaticContact CE1-CG 3.94Å; Y100-H112 HydrophobicContact CE2-CB 4.42Å; Y100-L115 HydrophobicContact CD1-CD2 4.43Å
101	E	84.9	Confident	82	Confident	111 Å²	111	75.7 Å²	75.7	52%	0.519	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.8	-179.1	-163.5	176.4	155.6	0	0	113	N103 G106 A108	E101-N103 PolarHBondContact O-N 3.1Å; E101-G106 WeakPolarHBondContact OE1-CA 3.07Å; E101-A108 HydrophobicContact CG-CB 4.49Å
102	C	82	Confident	82.1	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.014	40%	0.404	C	S	.	.			trans	-82.3	109.9	170.2	-173.4	0	0	0	0	110.7	H104 C105 G106 T107 L115 H118 H122	C102-H104 PolarHBondContact O-N 2.75Å; C102-C105 PolarHBondContact O-N 2.78Å; C102-G106 VanDerWaalsContact O-CA 3.31Å; C102-G106 WeakPolarHBondContact O-CA 3.31Å; C102-G106 PolarHBondContact O-N 3.43Å; C102-T107 WeakPolarHBondContact CB-O 3.07Å; C102-T107 PolarHBondContact N-O 2.92Å; C102-L115 HydrophobicContact CB-CD1 3.72Å; C102-H118 VanDerWaalsContact SG-CD2 3.58Å; C102-H118 PolarHBondContact SG-NE2 3.39Å; C102-H122 PolarHBondContact SG-NE2 2.87Å; C102-H122 VanDerWaalsContact SG-NE2 3.43Å
103	N	82.4	Confident	81.8	Confident	152 Å²	152	71 Å²	71	81%	0.813	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.6	177.5	-59.7	-9.5	0	0	0	114.5	E101	E101-N103 PolarHBondContact O-N 3.1Å
104	H	76.7	Confident	82	Confident	146 Å²	146	71.2 Å²	71.2	68%	0.676	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-34.8	179.6	-170.6	66	0	0	0	113.2	C102 H122	C102-H104 PolarHBondContact O-N 2.75Å; H104-H122 AromaticContact CD2-CD2 3.87Å; H104-H122 AromaticContact CD2-CE1 3.77Å; H104-H122 AromaticContact CD2-CG 3.5Å; H104-H122 AromaticContact CD2-ND1 3.47Å; H104-H122 PolarHBondContact CD2-ND1 3.43Å
105	C	86.1	Confident	82.3	Confident	58 Å²	58	64.9 Å²	64.9	39%	0.392	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	10.9	-173.6	70.8	0	0	0	0	114.5	C102 T107 H118 H122	C102-C105 PolarHBondContact O-N 2.78Å; C105-T107 PolarHBondContact O-N 3.44Å; C105-T107 PolarHBondContact SG-OG1 2.98Å; C105-H118 VanDerWaalsContact SG-CE1 3.55Å; C105-H118 PolarHBondContact SG-NE2 2.59Å; C105-H122 VanDerWaalsContact SG-CE1 3.56Å; C105-H122 PolarHBondContact SG-NE2 3.37Å
106	G	85.1	Confident	82	Confident	40 Å²	40	64 Å²	64	41%	0.412	35%	0.351	S	S	.	.			trans	66.7	6.3	177.3	0	0	0	0	0	115.3	E101 C102 A108	E101-G106 WeakPolarHBondContact OE1-CA 3.07Å; C102-G106 VanDerWaalsContact O-CA 3.31Å; C102-G106 WeakPolarHBondContact O-CA 3.31Å; C102-G106 PolarHBondContact O-N 3.43Å; G106-A108 PolarHBondContact O-N 3.45Å
107	T	88.1	Confident	81.5	Confident	60 Å²	60	66.6 Å²	66.6	37%	0.368	35%	0.346	S	S	.	.			trans	-75	121	-176.9	-55.9	0	0	0	0	110.3	C102 C105 F109	C102-T107 WeakPolarHBondContact CB-O 3.07Å; C102-T107 PolarHBondContact N-O 2.92Å; C105-T107 PolarHBondContact O-N 3.44Å; C105-T107 PolarHBondContact SG-OG1 2.98Å; T107-F109 HydrophobicContact CG2-CE1 4.22Å; T107-F109 HydrophobicContact CG2-CE2 3.74Å; T107-F109 HydrophobicContact CG2-CZ 3.49Å; T107-F109 VanDerWaalsContact CG2-CZ 3.49Å; T107-F109 WeakPolarHBondContact O-CD2 3.25Å; T107-F109 VanDerWaalsContact O-CE2 3.24Å; T107-F109 WeakPolarHBondContact O-CE2 3.37Å
108	A	87.8	Confident	81.4	Confident	33 Å²	33	63.3 Å²	63.3	27%	0.273	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.2	-179.1	0	0	0	0	0	113.2	K98 Y100 E101 G106	K98-A108 HydrophobicContact CB-CB 3.7Å; K98-A108 HydrophobicContact CD-CB 4.31Å; Y100-A108 CarbonylContact O-C 3.46Å; Y100-A108 VanDerWaalsContact O-CA 3.31Å; Y100-A108 WeakPolarHBondContact O-CA 3.31Å; E101-A108 HydrophobicContact CG-CB 4.49Å; G106-A108 PolarHBondContact O-N 3.45Å
109	F	84.3	Confident	81	Confident	36 Å²	36	60.8 Å²	60.8	16%	0.158	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.9	-177.8	-58.3	-88	0	0	0	111	K98 Y100 T107 R111 H114 L115 H118	K98-F109 CarbonylContact C-O 3.38Å; K98-F109 VanDerWaalsContact C-O 3.25Å; K98-F109 VanDerWaalsContact CA-O 3.25Å; K98-F109 WeakPolarHBondContact CA-O 3.43Å; Y100-F109 VanDerWaalsContact CB-O 3.31Å; Y100-F109 WeakPolarHBondContact CB-O 3.38Å; Y100-F109 WeakPolarHBondContact CD2-O 3.19Å; Y100-F109 PolarHBondContact N-O 3.04Å; Y100-F109 VanDerWaalsContact N-O 3.09Å; Y100-F109 PolarHBondContact O-N 3.29Å; T107-F109 HydrophobicContact CG2-CE1 4.22Å; T107-F109 HydrophobicContact CG2-CE2 3.74Å; T107-F109 HydrophobicContact CG2-CZ 3.49Å; T107-F109 VanDerWaalsContact CG2-CZ 3.49Å; T107-F109 WeakPolarHBondContact O-CD2 3.25Å; T107-F109 VanDerWaalsContact O-CE2 3.24Å; T107-F109 WeakPolarHBondContact O-CE2 3.37Å; F109-R111 VanDerWaalsContact C-N 3.29Å; F109-H114 HydrophobicContact CB-CB 4.08Å; F109-H114 HydrophobicContact CD1-CB 3.71Å; F109-H114 HydrophobicContact CG-CB 4.08Å; F109-L115 HydrophobicContact CB-CB 4.38Å; F109-L115 HydrophobicContact CD2-CB 3.79Å; F109-L115 HydrophobicContact CD2-CD1 3.94Å; F109-L115 HydrophobicContact CD2-CG 4.48Å; F109-L115 HydrophobicContact CE2-CB 4.5Å; F109-L115 HydrophobicContact CE2-CD1 4.08Å; F109-L115 HydrophobicContact CG-CB 4.3Å; F109-H118 HydrophobicContact CE1-CB 4.14Å; F109-H118 HydrophobicContact CE2-CB 3.74Å; F109-H118 AromaticContact CE2-CD2 3.48Å; F109-H118 VanDerWaalsContact CE2-CD2 3.48Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.47Å; F109-H118 AromaticContact CE2-CG 3.58Å; F109-H118 HydrophobicContact CZ-CB 3.4Å; F109-H118 AromaticContact CZ-CD2 3.66Å; F109-H118 AromaticContact CZ-CG 3.28Å; F109-H118 AromaticContact CZ-ND1 3.69Å
110	A	85.1	Confident	80.6	Confident	32 Å²	32	58.5 Å²	58.5	26%	0.264	31%	0.307	S	S	.	.	S	Bend	trans	-79.9	-12.4	175	0	0	0	0	0	113.3	E97 K98	E97-A110 WeakPolarHBondContact O-CB 3.1Å; K98-A110 HydrophobicContact CG-CB 4.44Å
111	R	80.2	Confident	80.2	Confident	122 Å²	122	62.8 Å²	62.8	46%	0.46	33%	0.334	S	S	.	.	S	Bend	trans	-135.4	136.3	-175.3	-60.6	-176.8	-175.4	176.7	0.4	110.6	F109 G113 H114 L115	F109-R111 VanDerWaalsContact C-N 3.29Å; R111-G113 PolarHBondContact O-N 3.03Å; R111-H114 HydrophobicContact CB-CB 4.46Å; R111-H114 WeakPolarHBondContact O-CB 3.38Å; R111-H114 PolarHBondContact O-N 3.41Å; R111-H114 VanDerWaalsContact O-N 3.17Å; R111-L115 PolarHBondContact O-N 3.46Å
112	H	75.9	Confident	79.7	Confident	27 Å²	27	60.9 Å²	60.9	13%	0.125	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-49.4	178.3	-177.2	-104	0	0	0	113.2	E60 Y100 H114 L115 Q116	E60-H112 WeakPolarHBondContact OE2-CB 3.36Å; E60-H112 IonicContact OE2-CE1 3.48Å; E60-H112 IonicContact OE2-CG 3.62Å; E60-H112 IonicContact OE2-ND1 3.88Å; E60-H112 PolarHBondContact OE2-ND1 3.08Å; Y100-H112 HydrophobicContact CD1-CB 3.88Å; Y100-H112 AromaticContact CD1-CD2 3.87Å; Y100-H112 HydrophobicContact CE1-CB 3.39Å; Y100-H112 AromaticContact CE1-CD2 3.76Å; Y100-H112 AromaticContact CE1-CG 3.94Å; Y100-H112 HydrophobicContact CE2-CB 4.42Å; H112-H114 PolarHBondContact O-N 3.34Å; H112-H114 VanDerWaalsContact O-N 3.11Å; H112-L115 WeakPolarHBondContact O-CA 3.46Å; H112-L115 WeakPolarHBondContact O-CB 3.49Å; H112-L115 PolarHBondContact O-N 2.94Å; H112-Q116 WeakPolarHBondContact CE1-CG 3.45Å; H112-Q116 PolarHBondContact CE1-NE2 3.2Å; H112-Q116 VanDerWaalsContact CE1-NE2 3.3Å; H112-Q116 PolarHBondContact NE2-NE2 3.42Å; H112-Q116 PolarHBondContact O-N 3.22Å
113	G	74.3	Confident	78.9	Confident	18 Å²	18	64.8 Å²	64.8	19%	0.186	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-26.4	178.8	0	0	0	0	0	114.6	E60 R111 R117	E60-G113 VanDerWaalsContact CD-CA 3.48Å; E60-G113 WeakPolarHBondContact OE1-CA 3.26Å; E60-G113 PolarHBondContact OE1-N 3Å; E60-G113 VanDerWaalsContact OE2-CA 3.31Å; E60-G113 WeakPolarHBondContact OE2-CA 3.47Å; E60-G113 PolarHBondContact OE2-N 3.19Å; R111-G113 PolarHBondContact O-N 3.03Å; G113-R117 VanDerWaalsContact O-CB 3.3Å; G113-R117 WeakPolarHBondContact O-CB 3.42Å; G113-R117 PolarHBondContact O-N 2.76Å
114	H	79.6	Confident	77.9	Confident	69 Å²	69	60.4 Å²	60.4	32%	0.319	34%	0.34	S	S	.	.	H	α-helix	trans	-71.2	-41.6	172.8	-67.3	-176.7	0	0	0	111.5	F109 R111 H112 R117 H118	F109-H114 HydrophobicContact CB-CB 4.08Å; F109-H114 HydrophobicContact CD1-CB 3.71Å; F109-H114 HydrophobicContact CG-CB 4.08Å; R111-H114 HydrophobicContact CB-CB 4.46Å; R111-H114 WeakPolarHBondContact O-CB 3.38Å; R111-H114 PolarHBondContact O-N 3.41Å; R111-H114 VanDerWaalsContact O-N 3.17Å; H112-H114 PolarHBondContact O-N 3.34Å; H112-H114 VanDerWaalsContact O-N 3.11Å; H114-R117 PolarHBondContact CD2-NH2 3.11Å; H114-H118 VanDerWaalsContact O-CB 3.27Å; H114-H118 WeakPolarHBondContact O-CB 3.2Å; H114-H118 PolarHBondContact O-N 3.48Å
115	L	81.5	Confident	77.1	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-45.9	172.9	170.3	63	0	0	0	111.1	Y100 C102 F109 R111 H112 R117 H118 K119	Y100-L115 HydrophobicContact CD1-CD2 4.43Å; C102-L115 HydrophobicContact CB-CD1 3.72Å; F109-L115 HydrophobicContact CB-CB 4.38Å; F109-L115 HydrophobicContact CD2-CB 3.79Å; F109-L115 HydrophobicContact CD2-CD1 3.94Å; F109-L115 HydrophobicContact CD2-CG 4.48Å; F109-L115 HydrophobicContact CE2-CB 4.5Å; F109-L115 HydrophobicContact CE2-CD1 4.08Å; F109-L115 HydrophobicContact CG-CB 4.3Å; R111-L115 PolarHBondContact O-N 3.46Å; H112-L115 WeakPolarHBondContact O-CA 3.46Å; H112-L115 WeakPolarHBondContact O-CB 3.49Å; H112-L115 PolarHBondContact O-N 2.94Å; L115-R117 PolarHBondContact O-N 2.76Å; L115-H118 CarbonylContact O-C 3.25Å; L115-H118 WeakPolarHBondContact O-CB 3.28Å; L115-H118 PolarHBondContact O-N 3.13Å; L115-H118 VanDerWaalsContact O-N 3.12Å; L115-K119 HydrophobicContact CD1-CG 4.28Å; L115-K119 WeakPolarHBondContact O-CG 3.5Å; L115-K119 PolarHBondContact O-N 3.14Å
116	Q	75.4	Confident	75.7	Confident	80 Å²	80	63.9 Å²	63.9	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-44.7	179.5	-67.6	-59.9	-21.1	0	0	112.1	H112 H118 K119 G120	H112-Q116 WeakPolarHBondContact CE1-CG 3.45Å; H112-Q116 PolarHBondContact CE1-NE2 3.2Å; H112-Q116 VanDerWaalsContact CE1-NE2 3.3Å; H112-Q116 PolarHBondContact NE2-NE2 3.42Å; H112-Q116 PolarHBondContact O-N 3.22Å; Q116-H118 VanDerWaalsContact C-N 3.27Å; Q116-H118 PolarHBondContact O-N 3.28Å; Q116-K119 PolarHBondContact O-N 2.92Å; Q116-G120 PolarHBondContact O-N 2.97Å
117	R	72.9	Confident	74.8	Confident	103 Å²	103	65.7 Å²	65.7	39%	0.389	35%	0.348	S	S	.	.	H	α-helix	trans	-58.3	-41.5	172	175.3	178.5	63	-175.5	-2.8	112.2	G113 H114 L115 G120 W139	G113-R117 VanDerWaalsContact O-CB 3.3Å; G113-R117 WeakPolarHBondContact O-CB 3.42Å; G113-R117 PolarHBondContact O-N 2.76Å; H114-R117 PolarHBondContact CD2-NH2 3.11Å; L115-R117 PolarHBondContact O-N 2.76Å; R117-G120 PolarHBondContact O-N 3.44Å; R117-W139 VanDerWaalsContact CD-CD1 3.47Å
118	H	80.4	Confident	74.1	Confident	31 Å²	31	65.7 Å²	65.7	14%	0.144	34%	0.342	C	S	.	.	H	α-helix	trans	-68.1	-36.2	178.8	169.6	77.4	0	0	0	112	C102 C105 F109 H114 L115 Q116 G120 T121 H122	C102-H118 VanDerWaalsContact SG-CD2 3.58Å; C102-H118 PolarHBondContact SG-NE2 3.39Å; C105-H118 VanDerWaalsContact SG-CE1 3.55Å; C105-H118 PolarHBondContact SG-NE2 2.59Å; F109-H118 HydrophobicContact CE1-CB 4.14Å; F109-H118 HydrophobicContact CE2-CB 3.74Å; F109-H118 AromaticContact CE2-CD2 3.48Å; F109-H118 VanDerWaalsContact CE2-CD2 3.48Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.47Å; F109-H118 AromaticContact CE2-CG 3.58Å; F109-H118 HydrophobicContact CZ-CB 3.4Å; F109-H118 AromaticContact CZ-CD2 3.66Å; F109-H118 AromaticContact CZ-CG 3.28Å; F109-H118 AromaticContact CZ-ND1 3.69Å; H114-H118 VanDerWaalsContact O-CB 3.27Å; H114-H118 WeakPolarHBondContact O-CB 3.2Å; H114-H118 PolarHBondContact O-N 3.48Å; L115-H118 CarbonylContact O-C 3.25Å; L115-H118 WeakPolarHBondContact O-CB 3.28Å; L115-H118 PolarHBondContact O-N 3.13Å; L115-H118 VanDerWaalsContact O-N 3.12Å; Q116-H118 VanDerWaalsContact C-N 3.27Å; Q116-H118 PolarHBondContact O-N 3.28Å; H118-G120 PolarHBondContact O-N 3.45Å; H118-T121 WeakPolarHBondContact O-CB 3.46Å; H118-T121 PolarHBondContact O-N 2.98Å; H118-T121 PolarHBondContact O-OG1 2.92Å; H118-H122 AromaticContact CD2-NE2 3.74Å; H118-H122 AromaticContact CE1-CE1 3.86Å; H118-H122 AromaticContact CE1-NE2 3.46Å; H118-H122 PolarHBondContact CE1-NE2 2.88Å; H118-H122 AromaticContact NE2-CD2 3.96Å; H118-H122 AromaticContact NE2-CE1 3.82Å; H118-H122 AromaticContact NE2-NE2 3.01Å; H118-H122 PolarHBondContact NE2-NE2 3.14Å
119	K	76.3	Confident	73.7	Confident	75 Å²	75	69.3 Å²	69.3	33%	0.326	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-36.6	172.8	-73.1	-179.9	176.9	-177.5	0	112	L115 Q116 T121 H122 T123	L115-K119 HydrophobicContact CD1-CG 4.28Å; L115-K119 WeakPolarHBondContact O-CG 3.5Å; L115-K119 PolarHBondContact O-N 3.14Å; Q116-K119 PolarHBondContact O-N 2.92Å; K119-T121 PolarHBondContact O-N 3.32Å; K119-H122 WeakPolarHBondContact O-CB 3.38Å; K119-H122 PolarHBondContact O-N 3.45Å; K119-T123 PolarHBondContact O-N 3.35Å
120	G	72.1	Confident	73.6	Confident	14 Å²	14	67.7 Å²	67.7	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-61	-20.3	173.8	0	0	0	0	0	114.9	Q116 R117 H118 H122 G124	Q116-G120 PolarHBondContact O-N 2.97Å; R117-G120 PolarHBondContact O-N 3.44Å; H118-G120 PolarHBondContact O-N 3.45Å; G120-H122 VanDerWaalsContact C-N 3.32Å; G120-G124 PolarHBondContact O-N 3.18Å
121	T	73.7	Confident	73.6	Confident	100 Å²	100	72.6 Å²	72.6	61%	0.613	37%	0.368	S	S	*	.	H	α-helix	trans	-76	-22	173.9	68.1	0	0	0	0	112.8	H118 K119	H118-T121 WeakPolarHBondContact O-CB 3.46Å; H118-T121 PolarHBondContact O-N 2.98Å; H118-T121 PolarHBondContact O-OG1 2.92Å; K119-T121 PolarHBondContact O-N 3.32Å
122	H	73.9	Confident	73.7	Confident	71 Å²	71	75.4 Å²	75.4	33%	0.329	38%	0.378	S	S	.	.	H	α-helix	trans	-86.2	-41.1	177.9	-60.2	-49.3	0	0	0	111.9	C102 H104 C105 H118 K119 G120 G124	C102-H122 PolarHBondContact SG-NE2 2.87Å; C102-H122 VanDerWaalsContact SG-NE2 3.43Å; H104-H122 AromaticContact CD2-CD2 3.87Å; H104-H122 AromaticContact CD2-CE1 3.77Å; H104-H122 AromaticContact CD2-CG 3.5Å; H104-H122 AromaticContact CD2-ND1 3.47Å; H104-H122 PolarHBondContact CD2-ND1 3.43Å; C105-H122 VanDerWaalsContact SG-CE1 3.56Å; C105-H122 PolarHBondContact SG-NE2 3.37Å; H118-H122 AromaticContact CD2-NE2 3.74Å; H118-H122 AromaticContact CE1-CE1 3.86Å; H118-H122 AromaticContact CE1-NE2 3.46Å; H118-H122 PolarHBondContact CE1-NE2 2.88Å; H118-H122 AromaticContact NE2-CD2 3.96Å; H118-H122 AromaticContact NE2-CE1 3.82Å; H118-H122 AromaticContact NE2-NE2 3.01Å; H118-H122 PolarHBondContact NE2-NE2 3.14Å; K119-H122 WeakPolarHBondContact O-CB 3.38Å; K119-H122 PolarHBondContact O-N 3.45Å; G120-H122 VanDerWaalsContact C-N 3.32Å; H122-G124 VanDerWaalsContact C-N 3.35Å
123	T	65.6	Low	74.3	Confident	83 Å²	83	77.2 Å²	77.2	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-82.3	-15	-177.5	58.8	0	0	0	0	113	K119 E125	K119-T123 PolarHBondContact O-N 3.35Å; T123-E125 PolarHBondContact O-N 2.85Å; T123-E125 VanDerWaalsContact O-N 3.16Å; T123-E125 WeakPolarHBondContact OG1-CB 3.41Å; T123-E125 WeakPolarHBondContact OG1-CG 3.45Å; T123-E125 PolarHBondContact OG1-N 2.89Å; T123-E125 PolarHBondContact OG1-OE2 3.14Å
124	G	60.6	Low	74.6	Confident	60 Å²	60	78.1 Å²	78.1	62%	0.619	40%	0.402	S	S	*	.			trans	64.8	10.4	-170.7	0	0	0	0	0	112.8	G120 H122 K126	G120-G124 PolarHBondContact O-N 3.18Å; H122-G124 VanDerWaalsContact C-N 3.35Å; G124-K126 PolarHBondContact O-N 2.78Å; G124-K126 VanDerWaalsContact O-N 3.13Å
125	E	59.6	Low	74.7	Confident	121 Å²	121	80.7 Å²	80.7	57%	0.565	41%	0.412	S	S	*	.			trans	-64	117.5	-179.8	-77	172.2	141.5	0	0	109.7	T123 L127	T123-E125 PolarHBondContact O-N 2.85Å; T123-E125 VanDerWaalsContact O-N 3.16Å; T123-E125 WeakPolarHBondContact OG1-CB 3.41Å; T123-E125 WeakPolarHBondContact OG1-CG 3.45Å; T123-E125 PolarHBondContact OG1-N 2.89Å; T123-E125 PolarHBondContact OG1-OE2 3.14Å; E125-L127 HydrophobicContact CB-CD2 4.1Å; E125-L127 PolarHBondContact O-N 2.91Å; E125-L127 VanDerWaalsContact O-N 3.14Å
126	K	57	Low	74.5	Confident	156 Å²	156	82.1 Å²	82.1	68%	0.678	42%	0.422	S	S	*	.			trans	-84.8	85.6	-180	-122.6	176.7	-177.6	177.8	0	106.2	G124 Y128 V136	G124-K126 PolarHBondContact O-N 2.78Å; G124-K126 VanDerWaalsContact O-N 3.13Å; K126-Y128 PolarHBondContact O-N 2.84Å; K126-V136 HydrophobicContact CB-CB 4.12Å; K126-V136 HydrophobicContact CB-CG1 3.42Å; K126-V136 VanDerWaalsContact CB-CG1 3.42Å; K126-V136 HydrophobicContact CD-CB 3.72Å; K126-V136 HydrophobicContact CD-CG1 4Å; K126-V136 HydrophobicContact CD-CG2 4.09Å; K126-V136 HydrophobicContact CG-CB 3.75Å; K126-V136 HydrophobicContact CG-CG1 3.51Å; K126-V136 VanDerWaalsContact O-CG1 3.28Å; K126-V136 WeakPolarHBondContact O-CG1 2.91Å
127	L	66.7	Low	74.7	Confident	78 Å²	78	79.9 Å²	79.9	41%	0.408	41%	0.411	S	S	.	.			trans	-68.8	-29	-161	-66.5	171.5	0	0	0	115.9	E125	E125-L127 HydrophobicContact CB-CD2 4.1Å; E125-L127 PolarHBondContact O-N 2.91Å; E125-L127 VanDerWaalsContact O-N 3.14Å
128	Y	73.7	Confident	74.6	Confident	61 Å²	61	77.8 Å²	77.8	24%	0.239	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	96.6	-167.4	-58.3	-74	0	0	0	112.3	K126 F137 N140	K126-Y128 PolarHBondContact O-N 2.84Å; Y128-F137 PolarHBondContact N-O 3.2Å; Y128-F137 PolarHBondContact O-N 3.38Å; Y128-N140 HydrophobicContact CD1-CB 3.96Å; Y128-N140 HydrophobicContact CD2-CB 4.26Å; Y128-N140 VanDerWaalsContact CD2-N 3.28Å; Y128-N140 HydrophobicContact CE1-CB 3.79Å; Y128-N140 HydrophobicContact CE2-CB 4.09Å; Y128-N140 HydrophobicContact CG-CB 4.18Å
129	E	78.3	Confident	74.2	Confident	108 Å²	108	81.3 Å²	81.3	51%	0.505	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.2	178.4	-174.4	175.8	165.3	0	0	112.7	N131 G134 V136 L143	E129-N131 PolarHBondContact O-N 2.69Å; E129-G134 WeakPolarHBondContact OE1-CA 3.4Å; E129-V136 HydrophobicContact CB-CG1 4.42Å; E129-V136 HydrophobicContact CB-CG2 4.3Å; E129-V136 HydrophobicContact CG-CG2 4.18Å; E129-L143 WeakPolarHBondContact O-CD2 3.47Å
130	C	83.4	Confident	74.2	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.014	42%	0.42	C	S	.	.			trans	-83.8	105.4	169.5	-174.4	0	0	0	0	110.7	R132 C133 G134 K135 F137 L143 H146 H150	C130-R132 PolarHBondContact O-N 3.46Å; C130-C133 PolarHBondContact O-N 3.47Å; C130-C133 VanDerWaalsContact SG-SG 3.65Å; C130-G134 WeakPolarHBondContact O-CA 3.34Å; C130-G134 PolarHBondContact O-N 3.43Å; C130-K135 WeakPolarHBondContact CB-O 2.63Å; C130-K135 PolarHBondContact N-O 3.19Å; C130-F137 HydrophobicContact CB-CE2 4.36Å; C130-L143 HydrophobicContact CB-CD1 3.62Å; C130-H146 PolarHBondContact SG-NE2 3.13Å; C130-H150 PolarHBondContact SG-NE2 3.49Å; C130-H150 VanDerWaalsContact SG-NE2 3.41Å
131	N	84.6	Confident	74.4	Confident	135 Å²	135	81 Å²	81	72%	0.722	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.3	178.4	-58.7	-4.8	0	0	0	115.1	E129	E129-N131 PolarHBondContact O-N 2.69Å
132	R	82.3	Confident	74.9	Confident	182 Å²	182	80 Å²	80	69%	0.687	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-31.7	178.2	-175.1	168.3	173.8	178.3	-5.4	113.3	C130 H150	C130-R132 PolarHBondContact O-N 3.46Å; R132-H150 PolarHBondContact NH1-O 3.18Å
133	C	87.7	Confident	75.4	Confident	65 Å²	65	77 Å²	77	44%	0.439	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	4.9	-173.9	68.2	0	0	0	0	114.8	C130 K135 H146 H150	C130-C133 PolarHBondContact O-N 3.47Å; C130-C133 VanDerWaalsContact SG-SG 3.65Å; C133-K135 PolarHBondContact O-N 3.03Å; C133-K135 VanDerWaalsContact SG-CB 3.58Å; C133-H146 PolarHBondContact SG-NE2 3.45Å; C133-H150 PolarHBondContact SG-NE2 3.03Å; C133-H150 VanDerWaalsContact SG-NE2 3.36Å
134	G	81.8	Confident	76.3	Confident	36 Å²	36	79.8 Å²	79.8	37%	0.371	41%	0.406	S	S	.	.			trans	67.1	3.2	-179.2	0	0	0	0	0	114.7	E129 C130 V136	E129-G134 WeakPolarHBondContact OE1-CA 3.4Å; C130-G134 WeakPolarHBondContact O-CA 3.34Å; C130-G134 PolarHBondContact O-N 3.43Å; G134-V136 WeakPolarHBondContact O-CG2 3.45Å; G134-V136 PolarHBondContact O-N 2.95Å
135	K	80.6	Confident	77.6	Confident	123 Å²	123	78.8 Å²	78.8	54%	0.535	39%	0.386	S	S	.	.			trans	-71.8	129.6	-177.8	-164.7	168.9	-173.2	173.3	0	109.8	C130 C133 F137	C130-K135 WeakPolarHBondContact CB-O 2.63Å; C130-K135 PolarHBondContact N-O 3.19Å; C133-K135 PolarHBondContact O-N 3.03Å; C133-K135 VanDerWaalsContact SG-CB 3.58Å; K135-F137 HydrophobicContact CB-CE2 4Å; K135-F137 HydrophobicContact CB-CZ 4.23Å; K135-F137 HydrophobicContact CD-CE2 4.45Å; K135-F137 HydrophobicContact CD-CZ 3.84Å; K135-F137 HydrophobicContact CG-CE2 3.98Å; K135-F137 HydrophobicContact CG-CZ 3.83Å; K135-F137 WeakPolarHBondContact O-CD2 2.9Å; K135-F137 VanDerWaalsContact O-CE2 3.31Å; K135-F137 WeakPolarHBondContact O-CE2 2.88Å
136	V	78.3	Confident	79	Confident	40 Å²	40	74.3 Å²	74.3	24%	0.242	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.7	-176.2	-157.7	0	0	0	0	111.7	K126 E129 G134	K126-V136 HydrophobicContact CB-CB 4.12Å; K126-V136 HydrophobicContact CB-CG1 3.42Å; K126-V136 VanDerWaalsContact CB-CG1 3.42Å; K126-V136 HydrophobicContact CD-CB 3.72Å; K126-V136 HydrophobicContact CD-CG1 4Å; K126-V136 HydrophobicContact CD-CG2 4.09Å; K126-V136 HydrophobicContact CG-CB 3.75Å; K126-V136 HydrophobicContact CG-CG1 3.51Å; K126-V136 VanDerWaalsContact O-CG1 3.28Å; K126-V136 WeakPolarHBondContact O-CG1 2.91Å; E129-V136 HydrophobicContact CB-CG1 4.42Å; E129-V136 HydrophobicContact CB-CG2 4.3Å; E129-V136 HydrophobicContact CG-CG2 4.18Å; G134-V136 WeakPolarHBondContact O-CG2 3.45Å; G134-V136 PolarHBondContact O-N 2.95Å
137	F	78.4	Confident	80.5	Confident	33 Å²	33	71 Å²	71	15%	0.145	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.5	-177.5	-60.7	-91	0	0	0	110	Y128 C130 K135 W139 H142 L143 H146	Y128-F137 PolarHBondContact N-O 3.2Å; Y128-F137 PolarHBondContact O-N 3.38Å; C130-F137 HydrophobicContact CB-CE2 4.36Å; K135-F137 HydrophobicContact CB-CE2 4Å; K135-F137 HydrophobicContact CB-CZ 4.23Å; K135-F137 HydrophobicContact CD-CE2 4.45Å; K135-F137 HydrophobicContact CD-CZ 3.84Å; K135-F137 HydrophobicContact CG-CE2 3.98Å; K135-F137 HydrophobicContact CG-CZ 3.83Å; K135-F137 WeakPolarHBondContact O-CD2 2.9Å; K135-F137 VanDerWaalsContact O-CE2 3.31Å; K135-F137 WeakPolarHBondContact O-CE2 2.88Å; F137-W139 VanDerWaalsContact C-N 3.26Å; F137-W139 PolarHBondContact O-N 3.47Å; F137-H142 HydrophobicContact CB-CB 4.26Å; F137-H142 HydrophobicContact CD1-CB 3.86Å; F137-H142 HydrophobicContact CG-CB 4.34Å; F137-L143 HydrophobicContact CB-CB 4.24Å; F137-L143 HydrophobicContact CD2-CB 3.89Å; F137-L143 HydrophobicContact CD2-CD1 3.72Å; F137-L143 HydrophobicContact CD2-CG 4.4Å; F137-L143 HydrophobicContact CE2-CD1 3.91Å; F137-L143 HydrophobicContact CG-CB 4.18Å; F137-H146 HydrophobicContact CE1-CB 3.77Å; F137-H146 HydrophobicContact CE2-CB 3.86Å; F137-H146 AromaticContact CE2-CD2 3.25Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.3Å; F137-H146 AromaticContact CE2-CG 3.58Å; F137-H146 AromaticContact CE2-NE2 3.91Å; F137-H146 HydrophobicContact CZ-CB 3.33Å; F137-H146 AromaticContact CZ-CD2 3.31Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.29Å; F137-H146 AromaticContact CZ-CG 3.12Å; F137-H146 AromaticContact CZ-ND1 3.68Å; F137-H146 AromaticContact CZ-NE2 3.89Å
138	A	72.2	Confident	81.7	Confident	60 Å²	60	68.7 Å²	68.7	50%	0.496	34%	0.336	S	S	.	.	S	Bend	trans	-66	-31.5	172.8	0	0	0	0	0	111.7
139	W	72.7	Confident	82.4	Confident	105 Å²	105	69.6 Å²	69.6	40%	0.398	35%	0.348	S	S	.	.	S	Bend	trans	-126.9	138.8	-172.5	-50.2	-24.2	0	0	0	112.2	R117 F137 C141 H142 L143	R117-W139 VanDerWaalsContact CD-CD1 3.47Å; F137-W139 VanDerWaalsContact C-N 3.26Å; F137-W139 PolarHBondContact O-N 3.47Å; W139-C141 VanDerWaalsContact C-N 3.32Å; W139-C141 PolarHBondContact O-N 3.06Å; W139-H142 HydrophobicContact CB-CB 4.5Å; W139-H142 AromaticContact CD2-CE1 3.78Å; W139-H142 AromaticContact CD2-ND1 3.95Å; W139-H142 AromaticContact CE3-CE1 2.97Å; W139-H142 AromaticContact CE3-ND1 3.54Å; W139-H142 AromaticContact CE3-NE2 3.29Å; W139-H142 VanDerWaalsContact CE3-NE2 3.29Å; W139-H142 AromaticContact CZ3-CE1 3.25Å; W139-H142 WeakPolarHBondContact CZ3-CE1 3.42Å; W139-H142 AromaticContact CZ3-NE2 3.57Å; W139-H142 WeakPolarHBondContact O-CB 3.44Å; W139-H142 PolarHBondContact O-N 3.27Å; W139-H142 VanDerWaalsContact O-N 3.08Å; W139-L143 PolarHBondContact O-N 3.4Å; W139-L143 VanDerWaalsContact O-N 3.12Å
140	N	74.6	Confident	82.9	Confident	29 Å²	29	66.9 Å²	66.9	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-41.1	178.1	-179.6	-80.6	0	0	0	112.5	Y128 H142 L143 R144	Y128-N140 HydrophobicContact CD1-CB 3.96Å; Y128-N140 HydrophobicContact CD2-CB 4.26Å; Y128-N140 VanDerWaalsContact CD2-N 3.28Å; Y128-N140 HydrophobicContact CE1-CB 3.79Å; Y128-N140 HydrophobicContact CE2-CB 4.09Å; Y128-N140 HydrophobicContact CG-CB 4.18Å; N140-H142 PolarHBondContact O-N 3.07Å; N140-L143 WeakPolarHBondContact O-CB 3.48Å; N140-L143 PolarHBondContact O-N 3.46Å; N140-L143 VanDerWaalsContact O-N 3.08Å; N140-R144 PolarHBondContact O-N 3.08Å
141	C	77.8	Confident	83.2	Confident	54 Å²	54	70.6 Å²	70.6	37%	0.365	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-34.7	177.8	60.8	0	0	0	0	112.2	W139 I145	W139-C141 VanDerWaalsContact C-N 3.32Å; W139-C141 PolarHBondContact O-N 3.06Å; C141-I145 WeakPolarHBondContact O-CD1 3.26Å; C141-I145 VanDerWaalsContact O-CG1 3.27Å; C141-I145 WeakPolarHBondContact O-CG1 3.23Å; C141-I145 PolarHBondContact O-N 2.96Å
142	H	82.8	Confident	83.4	Confident	79 Å²	79	66.6 Å²	66.6	37%	0.366	35%	0.352	S	S	.	.	H	α-helix	trans	-72	-41.6	174.9	-67	175.6	0	0	0	111.8	F137 W139 N140 R144 I145 H146	F137-H142 HydrophobicContact CB-CB 4.26Å; F137-H142 HydrophobicContact CD1-CB 3.86Å; F137-H142 HydrophobicContact CG-CB 4.34Å; W139-H142 HydrophobicContact CB-CB 4.5Å; W139-H142 AromaticContact CD2-CE1 3.78Å; W139-H142 AromaticContact CD2-ND1 3.95Å; W139-H142 AromaticContact CE3-CE1 2.97Å; W139-H142 AromaticContact CE3-ND1 3.54Å; W139-H142 AromaticContact CE3-NE2 3.29Å; W139-H142 VanDerWaalsContact CE3-NE2 3.29Å; W139-H142 AromaticContact CZ3-CE1 3.25Å; W139-H142 WeakPolarHBondContact CZ3-CE1 3.42Å; W139-H142 AromaticContact CZ3-NE2 3.57Å; W139-H142 WeakPolarHBondContact O-CB 3.44Å; W139-H142 PolarHBondContact O-N 3.27Å; W139-H142 VanDerWaalsContact O-N 3.08Å; N140-H142 PolarHBondContact O-N 3.07Å; H142-R144 VanDerWaalsContact C-N 3.32Å; H142-R144 PolarHBondContact O-N 3.28Å; H142-I145 PolarHBondContact O-N 3.22Å; H142-H146 VanDerWaalsContact O-CB 3.25Å; H142-H146 WeakPolarHBondContact O-CB 3.4Å; H142-H146 PolarHBondContact O-N 2.7Å
143	L	84.8	Confident	83.8	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-44.3	172.1	173.3	61.6	0	0	0	111	E129 C130 F137 W139 N140 H146 K147	E129-L143 WeakPolarHBondContact O-CD2 3.47Å; C130-L143 HydrophobicContact CB-CD1 3.62Å; F137-L143 HydrophobicContact CB-CB 4.24Å; F137-L143 HydrophobicContact CD2-CB 3.89Å; F137-L143 HydrophobicContact CD2-CD1 3.72Å; F137-L143 HydrophobicContact CD2-CG 4.4Å; F137-L143 HydrophobicContact CE2-CD1 3.91Å; F137-L143 HydrophobicContact CG-CB 4.18Å; W139-L143 PolarHBondContact O-N 3.4Å; W139-L143 VanDerWaalsContact O-N 3.12Å; N140-L143 WeakPolarHBondContact O-CB 3.48Å; N140-L143 PolarHBondContact O-N 3.46Å; N140-L143 VanDerWaalsContact O-N 3.08Å; L143-H146 CarbonylContact O-C 3.51Å; L143-H146 WeakPolarHBondContact O-CB 3.33Å; L143-H146 PolarHBondContact O-N 2.77Å; L143-K147 HydrophobicContact CD1-CG 4.32Å; L143-K147 WeakPolarHBondContact O-CG 3.36Å; L143-K147 PolarHBondContact O-N 3.2Å
144	R	85.4	Confident	84	Confident	141 Å²	141	65.5 Å²	65.5	53%	0.532	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-47.3	178.1	-174.7	175.8	63.2	169.2	-1.6	112.1	N140 H142 H146 K147 R148	N140-R144 PolarHBondContact O-N 3.08Å; H142-R144 VanDerWaalsContact C-N 3.32Å; H142-R144 PolarHBondContact O-N 3.28Å; R144-H146 VanDerWaalsContact C-N 3.26Å; R144-H146 PolarHBondContact O-N 3.09Å; R144-K147 PolarHBondContact O-N 3.06Å; R144-R148 PolarHBondContact O-N 2.71Å
145	I	87.2	Confident	84.4	Confident	39 Å²	39	67 Å²	67	20%	0.2	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-38.5	174.7	-68.4	163.6	0	0	0	110.6	C141 H142 R148	C141-I145 WeakPolarHBondContact O-CD1 3.26Å; C141-I145 VanDerWaalsContact O-CG1 3.27Å; C141-I145 WeakPolarHBondContact O-CG1 3.23Å; C141-I145 PolarHBondContact O-N 2.96Å; H142-I145 PolarHBondContact O-N 3.22Å; I145-R148 WeakPolarHBondContact O-CB 3.45Å; I145-R148 PolarHBondContact O-N 3.11Å
146	H	88.9	Confident	85	Confident	27 Å²	27	64.7 Å²	64.7	13%	0.125	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-39.8	175.4	167.8	66	0	0	0	112.3	C130 C133 F137 H142 L143 R144 R148 T149 H150	C130-H146 PolarHBondContact SG-NE2 3.13Å; C133-H146 PolarHBondContact SG-NE2 3.45Å; F137-H146 HydrophobicContact CE1-CB 3.77Å; F137-H146 HydrophobicContact CE2-CB 3.86Å; F137-H146 AromaticContact CE2-CD2 3.25Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.3Å; F137-H146 AromaticContact CE2-CG 3.58Å; F137-H146 AromaticContact CE2-NE2 3.91Å; F137-H146 HydrophobicContact CZ-CB 3.33Å; F137-H146 AromaticContact CZ-CD2 3.31Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.29Å; F137-H146 AromaticContact CZ-CG 3.12Å; F137-H146 AromaticContact CZ-ND1 3.68Å; F137-H146 AromaticContact CZ-NE2 3.89Å; H142-H146 VanDerWaalsContact O-CB 3.25Å; H142-H146 WeakPolarHBondContact O-CB 3.4Å; H142-H146 PolarHBondContact O-N 2.7Å; L143-H146 CarbonylContact O-C 3.51Å; L143-H146 WeakPolarHBondContact O-CB 3.33Å; L143-H146 PolarHBondContact O-N 2.77Å; R144-H146 VanDerWaalsContact C-N 3.26Å; R144-H146 PolarHBondContact O-N 3.09Å; H146-R148 PolarHBondContact O-N 2.86Å; H146-R148 VanDerWaalsContact O-N 3.1Å; H146-T149 PolarHBondContact ND1-OG1 2.73Å; H146-T149 WeakPolarHBondContact O-CB 3.11Å; H146-T149 PolarHBondContact O-N 2.98Å; H146-T149 PolarHBondContact O-OG1 3.18Å; H146-H150 AromaticContact CE1-NE2 3.54Å; H146-H150 AromaticContact NE2-CD2 3.91Å; H146-H150 AromaticContact NE2-NE2 3.22Å; H146-H150 PolarHBondContact NE2-NE2 2.91Å
147	K	88.6	Confident	85.7	Confident	87 Å²	87	68.3 Å²	68.3	38%	0.378	35%	0.352	S	S	.	.	H	α-helix	trans	-56.9	-29.3	175.2	-74	179.7	179.6	-179.7	0	112.1	L143 R144 T149 H150 S151	L143-K147 HydrophobicContact CD1-CG 4.32Å; L143-K147 WeakPolarHBondContact O-CG 3.36Å; L143-K147 PolarHBondContact O-N 3.2Å; R144-K147 PolarHBondContact O-N 3.06Å; K147-T149 PolarHBondContact O-N 2.87Å; K147-H150 VanDerWaalsContact O-CB 3.3Å; K147-H150 WeakPolarHBondContact O-CB 3.44Å; K147-H150 PolarHBondContact O-N 3.37Å; K147-S151 PolarHBondContact O-N 2.96Å
148	R	91.6	Very high	86.5	Confident	29 Å²	29	66.9 Å²	66.9	11%	0.109	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-23.6	172.8	-62.3	-178.1	172.3	143.7	-0.1	114.2	R144 I145 H146 H150 S151 G152 E153 A166	R144-R148 PolarHBondContact O-N 2.71Å; I145-R148 WeakPolarHBondContact O-CB 3.45Å; I145-R148 PolarHBondContact O-N 3.11Å; H146-R148 PolarHBondContact O-N 2.86Å; H146-R148 VanDerWaalsContact O-N 3.1Å; R148-H150 PolarHBondContact O-N 3.08Å; R148-S151 WeakPolarHBondContact CA-OG 3.48Å; R148-G152 WeakPolarHBondContact O-CA 3.38Å; R148-G152 PolarHBondContact O-N 2.88Å; R148-E153 HydrophobicContact CB-CB 4.36Å; R148-E153 WeakPolarHBondContact CB-O 3.42Å; R148-E153 HydrophobicContact CG-CB 4.15Å; R148-E153 IonicContact CZ-OE1 3.87Å; R148-E153 IonicContact NE-OE1 2.98Å; R148-E153 PolarHBondContact NE-OE1 3.1Å; R148-E153 IonicContact NE-OE2 3.92Å; R148-E153 IonicContact NH2-OE1 3.2Å; R148-E153 PolarHBondContact NH2-OE1 3.13Å; R148-E153 PolarHBondContact O-N 3.49Å; R148-A166 HydrophobicContact CB-CB 4.07Å; R148-A166 VanDerWaalsContact CD-O 3.23Å; R148-A166 WeakPolarHBondContact CD-O 3.26Å; R148-A166 PolarHBondContact NH1-O 3.07Å
149	T	89.6	Confident	87.5	Confident	80 Å²	80	70.8 Å²	70.8	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-70.8	-17.7	172	71.3	0	0	0	0	112.3	H146 K147	H146-T149 PolarHBondContact ND1-OG1 2.73Å; H146-T149 WeakPolarHBondContact O-CB 3.11Å; H146-T149 PolarHBondContact O-N 2.98Å; H146-T149 PolarHBondContact O-OG1 3.18Å; K147-T149 PolarHBondContact O-N 2.87Å
150	H	88.8	Confident	88.5	Confident	52 Å²	52	74 Å²	74	24%	0.241	38%	0.379	C	S	.	.	H	α-helix	trans	-92.7	-32.2	176.5	-67.3	-47.7	0	0	0	113.2	C130 R132 C133 H146 K147 R148	C130-H150 PolarHBondContact SG-NE2 3.49Å; C130-H150 VanDerWaalsContact SG-NE2 3.41Å; R132-H150 PolarHBondContact NH1-O 3.18Å; C133-H150 PolarHBondContact SG-NE2 3.03Å; C133-H150 VanDerWaalsContact SG-NE2 3.36Å; H146-H150 AromaticContact CE1-NE2 3.54Å; H146-H150 AromaticContact NE2-CD2 3.91Å; H146-H150 AromaticContact NE2-NE2 3.22Å; H146-H150 PolarHBondContact NE2-NE2 2.91Å; K147-H150 VanDerWaalsContact O-CB 3.3Å; K147-H150 WeakPolarHBondContact O-CB 3.44Å; K147-H150 PolarHBondContact O-N 3.37Å; R148-H150 PolarHBondContact O-N 3.08Å
151	S	88.7	Confident	89.5	Confident	80 Å²	80	76 Å²	76	56%	0.559	39%	0.393	S	S	*	.	H	α-helix	trans	-90.3	-20.6	176.9	61.3	0	0	0	0	113.5	K147 R148 E153	K147-S151 PolarHBondContact O-N 2.96Å; R148-S151 WeakPolarHBondContact CA-OG 3.48Å; S151-E153 PolarHBondContact O-N 3.4Å; S151-E153 WeakPolarHBondContact OG-CB 3.42Å; S151-E153 PolarHBondContact OG-N 2.96Å
152	G	88.7	Confident	90.1	Very high	51 Å²	51	75.2 Å²	75.2	53%	0.526	40%	0.395	S	S	.	.			trans	79.2	2.1	-172.4	0	0	0	0	0	114.2	R148 K154	R148-G152 WeakPolarHBondContact O-CA 3.38Å; R148-G152 PolarHBondContact O-N 2.88Å; G152-K154 PolarHBondContact O-N 3.36Å
153	E	91.6	Very high	90.7	Very high	96 Å²	96	74.4 Å²	74.4	45%	0.449	40%	0.396	S	S	.	.			trans	-61.1	127.1	-178.6	-172.7	-158.7	135.3	0	0	111.8	R148 S151 P155	R148-E153 HydrophobicContact CB-CB 4.36Å; R148-E153 WeakPolarHBondContact CB-O 3.42Å; R148-E153 HydrophobicContact CG-CB 4.15Å; R148-E153 IonicContact CZ-OE1 3.87Å; R148-E153 IonicContact NE-OE1 2.98Å; R148-E153 PolarHBondContact NE-OE1 3.1Å; R148-E153 IonicContact NE-OE2 3.92Å; R148-E153 IonicContact NH2-OE1 3.2Å; R148-E153 PolarHBondContact NH2-OE1 3.13Å; R148-E153 PolarHBondContact O-N 3.49Å; S151-E153 PolarHBondContact O-N 3.4Å; S151-E153 WeakPolarHBondContact OG-CB 3.42Å; S151-E153 PolarHBondContact OG-N 2.96Å; E153-P155 HydrophobicContact CG-CG 3.86Å; E153-P155 WeakPolarHBondContact OE1-CG 3.47Å
154	K	91.3	Very high	91.1	Very high	128 Å²	128	75.5 Å²	75.5	56%	0.557	41%	0.406	S	S	*	.			trans	-133.3	80.1	179.9	-70.3	169.3	170.8	-168	0	110.6	G152 Y156 A164 F165	G152-K154 PolarHBondContact O-N 3.36Å; K154-Y156 PolarHBondContact O-N 3.46Å; K154-A164 HydrophobicContact CB-CB 3.67Å; K154-A164 HydrophobicContact CD-CB 4.18Å; K154-A164 WeakPolarHBondContact CD-O 3.39Å; K154-F165 CarbonylContact C-O 3.56Å; K154-F165 WeakPolarHBondContact CA-O 3.36Å
155	P	90.1	Very high	91.4	Very high	68 Å²	68	70.4 Å²	70.4	44%	0.442	39%	0.388	S	S	.	.			trans	-73.6	-11.1	-171.8	-19.5	34	0	0	0	115	E153	E153-P155 HydrophobicContact CG-CG 3.86Å; E153-P155 WeakPolarHBondContact OE1-CG 3.47Å
156	Y	92.3	Very high	91.5	Very high	73 Å²	73	69 Å²	69	29%	0.286	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.6	-171	-55.5	-79.8	0	0	0	109.5	K154 A164 F165 S167 H168	K154-Y156 PolarHBondContact O-N 3.46Å; Y156-A164 CarbonylContact O-C 3.56Å; Y156-A164 WeakPolarHBondContact O-CA 3.37Å; Y156-F165 WeakPolarHBondContact CD2-O 3.14Å; Y156-F165 PolarHBondContact N-O 2.94Å; Y156-F165 PolarHBondContact O-N 3.31Å; Y156-S167 VanDerWaalsContact CD2-C 3.42Å; Y156-S167 VanDerWaalsContact CD2-CA 3.5Å; Y156-H168 HydrophobicContact CD1-CB 4.12Å; Y156-H168 HydrophobicContact CE1-CB 3.92Å
157	E	94.8	Very high	91.5	Very high	117 Å²	117	68.1 Å²	68.1	55%	0.547	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	146.8	179.4	-163.2	171.1	153.1	0	0	111.4	G162 L171	E157-G162 WeakPolarHBondContact OE1-CA 3.23Å; E157-L171 WeakPolarHBondContact O-CD2 3.12Å
158	C	94.6	Very high	91.5	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.02	38%	0.381	C	S	.	.			trans	-87.3	115.9	170.7	-176.6	0	0	0	0	109.8	Q160 C161 G162 T163 F165 L171	C158-Q160 PolarHBondContact O-N 3.16Å; C158-Q160 VanDerWaalsContact O-N 3.07Å; C158-C161 VanDerWaalsContact CB-SG 3.59Å; C158-C161 PolarHBondContact O-N 3.32Å; C158-G162 WeakPolarHBondContact O-CA 3.48Å; C158-G162 PolarHBondContact O-N 2.71Å; C158-T163 PolarHBondContact N-O 2.81Å; C158-F165 HydrophobicContact CB-CE2 4.34Å; C158-L171 HydrophobicContact CB-CD1 3.63Å
159	D	93.5	Very high	91.4	Very high	141 Å²	141	71.8 Å²	71.8	75%	0.754	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.2	-177.6	-47.9	-52.3	0	0	0	113.7	K175	D159-K175 IonicContact OD2-NZ 3.82Å
160	Q	92.9	Very high	91.4	Very high	174 Å²	174	73.3 Å²	73.3	81%	0.813	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-32.5	-179.2	-63.8	-177.5	12.3	0	0	113.6	C158	C158-Q160 PolarHBondContact O-N 3.16Å; C158-Q160 VanDerWaalsContact O-N 3.07Å
161	C	95.5	Very high	91.6	Very high	69 Å²	69	71.3 Å²	71.3	47%	0.466	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	1.2	-170.7	71.4	0	0	0	0	114.3	C158 T163 H174	C158-C161 VanDerWaalsContact CB-SG 3.59Å; C158-C161 PolarHBondContact O-N 3.32Å; C161-T163 PolarHBondContact O-N 2.72Å; C161-T163 VanDerWaalsContact O-N 3.13Å; C161-T163 PolarHBondContact SG-OG1 3.29Å; C161-H174 PolarHBondContact SG-NE2 2.93Å
162	G	91.3	Very high	91.7	Very high	38 Å²	38	71.9 Å²	71.9	39%	0.392	39%	0.389	S	S	.	.			trans	68.3	5.4	-179.3	0	0	0	0	0	114.8	E157 C158 A164	E157-G162 WeakPolarHBondContact OE1-CA 3.23Å; C158-G162 WeakPolarHBondContact O-CA 3.48Å; C158-G162 PolarHBondContact O-N 2.71Å; G162-A164 PolarHBondContact O-N 3.33Å
163	T	93.9	Very high	91.9	Very high	63 Å²	63	79.2 Å²	79.2	39%	0.387	40%	0.401	S	S	.	.			trans	-72.8	120.9	-178	-60.3	0	0	0	0	110.1	C158 C161 F165	C158-T163 PolarHBondContact N-O 2.81Å; C161-T163 PolarHBondContact O-N 2.72Å; C161-T163 VanDerWaalsContact O-N 3.13Å; C161-T163 PolarHBondContact SG-OG1 3.29Å; T163-F165 HydrophobicContact CG2-CE1 4.14Å; T163-F165 HydrophobicContact CG2-CE2 3.71Å; T163-F165 HydrophobicContact CG2-CZ 3.45Å; T163-F165 VanDerWaalsContact CG2-CZ 3.45Å; T163-F165 VanDerWaalsContact O-CD2 3.28Å; T163-F165 WeakPolarHBondContact O-CD2 3.4Å; T163-F165 WeakPolarHBondContact O-CE2 3.16Å
164	A	93.9	Very high	91.9	Very high	30 Å²	30	78.6 Å²	78.6	25%	0.248	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.4	179.7	0	0	0	0	0	113.1	K154 Y156 G162	K154-A164 HydrophobicContact CB-CB 3.67Å; K154-A164 HydrophobicContact CD-CB 4.18Å; K154-A164 WeakPolarHBondContact CD-O 3.39Å; Y156-A164 CarbonylContact O-C 3.56Å; Y156-A164 WeakPolarHBondContact O-CA 3.37Å; G162-A164 PolarHBondContact O-N 3.33Å
165	F	92	Very high	91.6	Very high	34 Å²	34	78.7 Å²	78.7	15%	0.149	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.3	-175.6	-60.7	-87.5	0	0	0	111.9	K154 Y156 C158 T163 S167 R170 L171 H174	K154-F165 CarbonylContact C-O 3.56Å; K154-F165 WeakPolarHBondContact CA-O 3.36Å; Y156-F165 WeakPolarHBondContact CD2-O 3.14Å; Y156-F165 PolarHBondContact N-O 2.94Å; Y156-F165 PolarHBondContact O-N 3.31Å; C158-F165 HydrophobicContact CB-CE2 4.34Å; T163-F165 HydrophobicContact CG2-CE1 4.14Å; T163-F165 HydrophobicContact CG2-CE2 3.71Å; T163-F165 HydrophobicContact CG2-CZ 3.45Å; T163-F165 VanDerWaalsContact CG2-CZ 3.45Å; T163-F165 VanDerWaalsContact O-CD2 3.28Å; T163-F165 WeakPolarHBondContact O-CD2 3.4Å; T163-F165 WeakPolarHBondContact O-CE2 3.16Å; F165-S167 VanDerWaalsContact C-N 3.25Å; F165-S167 PolarHBondContact O-N 3.28Å; F165-R170 HydrophobicContact CB-CB 4.27Å; F165-R170 HydrophobicContact CD1-CB 3.93Å; F165-R170 HydrophobicContact CG-CB 4.36Å; F165-L171 HydrophobicContact CB-CB 4.36Å; F165-L171 HydrophobicContact CD2-CB 3.86Å; F165-L171 HydrophobicContact CD2-CD1 3.78Å; F165-L171 HydrophobicContact CD2-CG 4.42Å; F165-L171 HydrophobicContact CE2-CD1 3.87Å; F165-L171 HydrophobicContact CG-CB 4.25Å; F165-H174 HydrophobicContact CE1-CB 3.98Å; F165-H174 HydrophobicContact CE2-CB 3.98Å; F165-H174 AromaticContact CE2-CD2 3.47Å; F165-H174 VanDerWaalsContact CE2-CD2 3.47Å; F165-H174 WeakPolarHBondContact CE2-CD2 3.31Å; F165-H174 AromaticContact CE2-CG 3.71Å; F165-H174 HydrophobicContact CZ-CB 3.45Å; F165-H174 VanDerWaalsContact CZ-CB 3.45Å; F165-H174 AromaticContact CZ-CD2 3.44Å; F165-H174 VanDerWaalsContact CZ-CD2 3.44Å; F165-H174 WeakPolarHBondContact CZ-CD2 3.39Å; F165-H174 AromaticContact CZ-CG 3.2Å; F165-H174 AromaticContact CZ-ND1 3.69Å; F165-H174 AromaticContact CZ-NE2 3.99Å
166	A	88.8	Confident	91.7	Very high	10 Å²	10	79.3 Å²	79.3	8%	0.083	40%	0.397	C	S	.	.	S	Bend	trans	-75.7	-8.3	176.8	0	0	0	0	0	114	R148	R148-A166 HydrophobicContact CB-CB 4.07Å; R148-A166 VanDerWaalsContact CD-O 3.23Å; R148-A166 WeakPolarHBondContact CD-O 3.26Å; R148-A166 PolarHBondContact NH1-O 3.07Å
167	S	89.1	Confident	91.7	Very high	8 Å²	8	79.6 Å²	79.6	6%	0.056	40%	0.402	C	S	.	.	S	Bend	trans	-154.4	143.7	-178.5	64.3	0	0	0	0	112.4	Y156 F165 C169 R170 L171	Y156-S167 VanDerWaalsContact CD2-C 3.42Å; Y156-S167 VanDerWaalsContact CD2-CA 3.5Å; F165-S167 VanDerWaalsContact C-N 3.25Å; F165-S167 PolarHBondContact O-N 3.28Å; S167-C169 VanDerWaalsContact C-N 3.34Å; S167-C169 PolarHBondContact O-N 3.5Å; S167-R170 PolarHBondContact O-N 3.37Å; S167-R170 WeakPolarHBondContact OG-CB 3.29Å; S167-R170 WeakPolarHBondContact OG-CD 3.39Å; S167-R170 WeakPolarHBondContact OG-CG 3.43Å; S167-L171 PolarHBondContact O-N 2.99Å
168	H	89.1	Confident	91.5	Very high	94 Å²	94	77.5 Å²	77.5	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-53.7	-44	176.3	-178.1	-101.1	0	0	0	113.6	Y156 R170 L171 Q172	Y156-H168 HydrophobicContact CD1-CB 4.12Å; Y156-H168 HydrophobicContact CE1-CB 3.92Å; H168-R170 PolarHBondContact O-N 3.27Å; H168-L171 WeakPolarHBondContact O-CB 3.4Å; H168-L171 PolarHBondContact O-N 3.47Å; H168-L171 VanDerWaalsContact O-N 3.11Å; H168-Q172 WeakPolarHBondContact CE1-CG 3.09Å; H168-Q172 PolarHBondContact CE1-NE2 3.31Å; H168-Q172 PolarHBondContact NE2-NE2 3.04Å; H168-Q172 WeakPolarHBondContact O-CG 3.37Å; H168-Q172 PolarHBondContact O-N 3.27Å
169	C	88.1	Confident	91.3	Very high	99 Å²	99	81.9 Å²	81.9	67%	0.669	42%	0.416	S	S	*	.	H	α-helix	trans	-60.3	-32	179.1	-58.3	0	0	0	0	113.3	S167 R173	S167-C169 VanDerWaalsContact C-N 3.34Å; S167-C169 PolarHBondContact O-N 3.5Å; C169-R173 PolarHBondContact O-N 3.37Å
170	R	90.2	Very high	91.2	Very high	112 Å²	112	78.2 Å²	78.2	42%	0.423	40%	0.395	S	S	.	.	H	α-helix	trans	-73.8	-38.5	176.4	-73	176.9	-175.1	171.4	1.8	111.7	F165 S167 H168 H174	F165-R170 HydrophobicContact CB-CB 4.27Å; F165-R170 HydrophobicContact CD1-CB 3.93Å; F165-R170 HydrophobicContact CG-CB 4.36Å; S167-R170 PolarHBondContact O-N 3.37Å; S167-R170 WeakPolarHBondContact OG-CB 3.29Å; S167-R170 WeakPolarHBondContact OG-CD 3.39Å; S167-R170 WeakPolarHBondContact OG-CG 3.43Å; H168-R170 PolarHBondContact O-N 3.27Å; R170-H174 WeakPolarHBondContact O-CB 3.19Å; R170-H174 PolarHBondContact O-N 3.46Å
171	L	92.4	Very high	91.1	Very high	9 Å²	9	71.8 Å²	71.8	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-48	172	171.4	62.6	0	0	0	110.7	E157 C158 F165 S167 H168 R173 H174 K175	E157-L171 WeakPolarHBondContact O-CD2 3.12Å; C158-L171 HydrophobicContact CB-CD1 3.63Å; F165-L171 HydrophobicContact CB-CB 4.36Å; F165-L171 HydrophobicContact CD2-CB 3.86Å; F165-L171 HydrophobicContact CD2-CD1 3.78Å; F165-L171 HydrophobicContact CD2-CG 4.42Å; F165-L171 HydrophobicContact CE2-CD1 3.87Å; F165-L171 HydrophobicContact CG-CB 4.25Å; S167-L171 PolarHBondContact O-N 2.99Å; H168-L171 WeakPolarHBondContact O-CB 3.4Å; H168-L171 PolarHBondContact O-N 3.47Å; H168-L171 VanDerWaalsContact O-N 3.11Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.44Å; L171-H174 WeakPolarHBondContact O-CA 3.47Å; L171-H174 WeakPolarHBondContact O-CB 3.48Å; L171-H174 PolarHBondContact O-N 3.49Å; L171-K175 HydrophobicContact CD1-CG 4.14Å; L171-K175 HydrophobicContact CG-CG 4.47Å; L171-K175 WeakPolarHBondContact O-CG 2.81Å; L171-K175 PolarHBondContact O-N 3.39Å
172	Q	91.6	Very high	90.8	Very high	92 Å²	92	72 Å²	72	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-32.9	-179.5	-70.2	-61.5	-29.1	0	0	113.7	H168 H174	H168-Q172 WeakPolarHBondContact CE1-CG 3.09Å; H168-Q172 PolarHBondContact CE1-NE2 3.31Å; H168-Q172 PolarHBondContact NE2-NE2 3.04Å; H168-Q172 WeakPolarHBondContact O-CG 3.37Å; H168-Q172 PolarHBondContact O-N 3.27Å; Q172-H174 VanDerWaalsContact C-N 3.3Å
173	R	92.1	Very high	90.7	Very high	205 Å²	205	74.6 Å²	74.6	77%	0.774	36%	0.358	S	S	*	.	H	α-helix	trans	-76.3	-20.7	174	-174.4	175.9	64.1	178.1	2.9	113.1	C169 L171	C169-R173 PolarHBondContact O-N 3.37Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.44Å
174	H	91.7	Very high	90.5	Very high	83 Å²	83	75.6 Å²	75.6	38%	0.384	36%	0.356	S	S	.	.	H	α-helix	trans	-86	-37.1	179.8	165.2	74.7	0	0	0	112.4	C161 F165 R170 L171 Q172	C161-H174 PolarHBondContact SG-NE2 2.93Å; F165-H174 HydrophobicContact CE1-CB 3.98Å; F165-H174 HydrophobicContact CE2-CB 3.98Å; F165-H174 AromaticContact CE2-CD2 3.47Å; F165-H174 VanDerWaalsContact CE2-CD2 3.47Å; F165-H174 WeakPolarHBondContact CE2-CD2 3.31Å; F165-H174 AromaticContact CE2-CG 3.71Å; F165-H174 HydrophobicContact CZ-CB 3.45Å; F165-H174 VanDerWaalsContact CZ-CB 3.45Å; F165-H174 AromaticContact CZ-CD2 3.44Å; F165-H174 VanDerWaalsContact CZ-CD2 3.44Å; F165-H174 WeakPolarHBondContact CZ-CD2 3.39Å; F165-H174 AromaticContact CZ-CG 3.2Å; F165-H174 AromaticContact CZ-ND1 3.69Å; F165-H174 AromaticContact CZ-NE2 3.99Å; R170-H174 WeakPolarHBondContact O-CB 3.19Å; R170-H174 PolarHBondContact O-N 3.46Å; L171-H174 WeakPolarHBondContact O-CA 3.47Å; L171-H174 WeakPolarHBondContact O-CB 3.48Å; L171-H174 PolarHBondContact O-N 3.49Å; Q172-H174 VanDerWaalsContact C-N 3.3Å
175	K	86.6	Confident	90.1	Very high	131 Å²	131	79.7 Å²	79.7	57%	0.57	37%	0.365	S	S	*	.			trans	-58.1	0	168.9	-66.8	-172.2	-179.3	-159	0	110.2	D159 L171	D159-K175 IonicContact OD2-NZ 3.82Å; L171-K175 HydrophobicContact CD1-CG 4.14Å; L171-K175 HydrophobicContact CG-CG 4.47Å; L171-K175 WeakPolarHBondContact O-CG 2.81Å; L171-K175 PolarHBondContact O-N 3.39Å

Retrieved 175 of 175 residues in 503.8 ms (Link to these results)

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