A0A096NMG4_PAPAN Loading...

Calmodulin-like protein 4

As part of the intermicrovillar adhesion complex/IMAC plays a role in epithelial brush border differentiation, controlling microvilli organization and length. Acts as a light chain for MYO7B and is required for efficient targeting of the IMAC to the tips of border brush microvilli.

AlphaFold DB , UniProt , Accession A0A096NMG4, Species PAPAN (Papio anubis, Olive baboon), Gene CALML4, Length 194 aa.

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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	41.4	Very low	52.1	Low	248 Å²	248	142.3 Å²	142.3	100%	1.222	84%	0.843	S	S	*	*				0	107.4	0	-77.3	173.4	168.5	0	0	106.9
2	A	43.2	Very low	52.9	Low	101 Å²	101	140.5 Å²	140.5	84%	0.835	84%	0.838	S	S	*	*			trans	-84.7	134.7	-176.2	0	0	0	0	0	109.8
3	A	46.9	Very low	52.9	Low	92 Å²	92	135.3 Å²	135.3	76%	0.76	81%	0.813	S	S	*	*			trans	-127.9	95.6	168.1	0	0	0	0	0	107.3	H5	A3-H5 PolarHBondContact O-N 2.95Å
4	E	49.3	Very low	52.6	Low	190 Å²	190	138.4 Å²	138.4	89%	0.888	82%	0.822	S	S	*	*			trans	-64.1	115.8	169.3	-83	172.5	69	0	0	109.1	L6	E4-L6 PolarHBondContact O-N 2.95Å
5	H	55.9	Low	52.8	Low	182 Å²	182	134.7 Å²	134.7	84%	0.843	81%	0.813	S	S	*	*			trans	-77.6	103	170.3	-106.6	-109.9	0	0	0	109	A3 L7	A3-H5 PolarHBondContact O-N 2.95Å; H5-L7 PolarHBondContact O-N 3.13Å
6	L	49.4	Very low	52.7	Low	167 Å²	167	134.6 Å²	134.6	87%	0.874	81%	0.806	S	S	*	*			trans	-71.4	115.4	177.1	-164.7	70.5	0	0	0	110.2	E4	E4-L6 PolarHBondContact O-N 2.95Å
7	L	56.9	Low	52.3	Low	155 Å²	155	137.8 Å²	137.8	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.4	140.8	170.9	-66.4	173.2	0	0	0	110.1	H5 G9	H5-L7 PolarHBondContact O-N 3.13Å; L7-G9 PolarHBondContact O-N 3.11Å
8	P	50	Low	52.1	Low	126 Å²	126	143 Å²	143	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.3	127.6	172.5	28.2	-31.5	0	0	0	110.2
9	G	61.5	Low	51.8	Low	64 Å²	64	143.2 Å²	143.2	66%	0.66	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.8	161.5	178.1	0	0	0	0	0	113.4	L7	L7-G9 PolarHBondContact O-N 3.11Å
10	P	61.2	Low	51.2	Low	122 Å²	122	145.9 Å²	145.9	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.4	147.5	-177.8	27.3	-33.5	0	0	0	111.8
11	P	57	Low	50.8	Low	118 Å²	118	143.6 Å²	143.6	77%	0.766	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66	148.5	175.6	27.9	-33.5	0	0	0	111.2
12	P	62.3	Low	50.6	Low	121 Å²	121	135.6 Å²	135.6	79%	0.786	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.5	143	-177.3	25.8	-33.5	0	0	0	112.1
13	S	53.2	Low	50.2	Low	73 Å²	73	134.4 Å²	134.4	51%	0.51	79%	0.793	S	S	.	*	P	Polyproline II helix	trans	-82.4	153.6	179.8	86	0	0	0	0	111.6	A15 D16	S13-A15 PolarHBondContact O-N 2.72Å; S13-D16 PolarHBondContact O-N 2.94Å
14	L	47.9	Very low	49.7	Very low	179 Å²	179	136 Å²	136	94%	0.937	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	4.5	-177.8	-131.8	120.2	0	0	0	114.6
15	A	55.7	Low	49.2	Very low	83 Å²	83	135.7 Å²	135.7	69%	0.686	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-12.6	177.6	0	0	0	0	0	113.7	S13	S13-A15 PolarHBondContact O-N 2.72Å
16	D	51.2	Low	48.7	Very low	132 Å²	132	139 Å²	139	71%	0.706	80%	0.797	S	S	*	*	S	Bend	trans	-88.6	-3.2	-176.2	-75.4	-66.6	0	0	0	114.5	S13 R18	S13-D16 PolarHBondContact O-N 2.94Å; D16-R18 VanDerWaalsContact C-N 3.3Å; D16-R18 PolarHBondContact O-N 3.45Å; D16-R18 VanDerWaalsContact O-N 3.16Å
17	F	45.8	Very low	48	Very low	190 Å²	190	134.8 Å²	134.8	83%	0.833	79%	0.794	S	S	*	*			trans	-91.3	59.1	177.5	-139.7	-93.3	0	0	0	111.5
18	R	49.1	Very low	47.1	Very low	231 Å²	231	133.8 Å²	133.8	87%	0.872	80%	0.8	S	S	*	*			trans	-85.6	111.2	172.8	-171.6	166	-175.3	160.7	0.1	109.8	D16 E20	D16-R18 VanDerWaalsContact C-N 3.3Å; D16-R18 PolarHBondContact O-N 3.45Å; D16-R18 VanDerWaalsContact O-N 3.16Å; R18-E20 PolarHBondContact O-N 3.14Å
19	L	45.4	Very low	46.2	Very low	147 Å²	147	131 Å²	131	77%	0.77	80%	0.795	S	S	*	*			trans	-57.1	120.4	172.5	-134.6	75	0	0	0	110.5
20	E	39.9	Very low	44.9	Very low	197 Å²	197	133.8 Å²	133.8	92%	0.921	80%	0.804	S	S	*	*			trans	-81.8	115.9	168.8	-164.5	-176.6	105.9	0	0	108.5	R18	R18-E20 PolarHBondContact O-N 3.14Å
21	A	43.9	Very low	44.2	Very low	97 Å²	97	133.3 Å²	133.3	80%	0.802	80%	0.803	S	S	*	*			trans	-139.4	105.4	163	0	0	0	0	0	107.5
22	G	36.2	Very low	43.2	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	81%	0.805	S	S	*	*			trans	-78.2	162.8	174.4	0	0	0	0	0	112.9
23	G	34.9	Very low	42.5	Very low	77 Å²	77	141.5 Å²	141.5	79%	0.794	81%	0.811	S	S	*	*			trans	143.6	99.2	162	0	0	0	0	0	115.1
24	T	37.8	Very low	41.7	Very low	125 Å²	125	144.3 Å²	144.3	77%	0.767	83%	0.825	S	S	*	*			trans	-26.2	147.7	161	-159.8	0	0	0	0	115.5
25	E	38.6	Very low	41.8	Very low	183 Å²	183	141.7 Å²	141.7	86%	0.855	82%	0.822	S	S	*	*				-168.2	161.3	82.7	-77.6	-172	106.8	0	0	113.6
26	R	43.7	Very low	41.4	Very low	251 Å²	251	140.8 Å²	140.8	95%	0.947	82%	0.821	S	S	*	*			trans	-75.8	147.9	-173.5	-59.9	172.7	-163.3	-161.5	1.5	113.2
27	G	34.8	Very low	40.9	Very low	80 Å²	80	139 Å²	139	83%	0.825	82%	0.818	S	S	*	*			trans	-161	107.9	163.3	0	0	0	0	0	111.8
28	S	38.1	Very low	40.8	Very low	134 Å²	134	140.7 Å²	140.7	94%	0.937	82%	0.819	S	S	*	*			trans	-64.4	144.5	172.6	-51	0	0	0	0	111.9
29	G	32.8	Very low	40.4	Very low	68 Å²	68	131.5 Å²	131.5	70%	0.701	80%	0.796	S	S	*	*			trans	158.7	100.1	163.5	0	0	0	0	0	116.1
30	S	33.9	Very low	40.1	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	80%	0.797	S	S	*	*			trans	62.9	120.3	133.6	-49.2	0	0	0	0	121.4	E32	S30-E32 PolarHBondContact O-N 3.36Å
31	S	45.8	Very low	40.3	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	79%	0.789	S	S	*	*			trans	-46.1	118.3	162.8	-162.7	0	0	0	0	113.6
32	E	35.4	Very low	40.4	Very low	173 Å²	173	131 Å²	131	81%	0.808	77%	0.77	S	S	*	*			trans	-137.9	114.7	156.6	-95	-178.9	87.3	0	0	110.2	S30 T34	S30-E32 PolarHBondContact O-N 3.36Å; E32-T34 PolarHBondContact O-N 3.12Å
33	R	48.3	Very low	40.8	Very low	239 Å²	239	129.6 Å²	129.6	90%	0.902	75%	0.75	S	S	*	*			trans	-68.9	113.8	169.7	-59.2	175	-157.2	-159.8	2.9	107.3
34	T	36.2	Very low	41.3	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	75%	0.751	S	S	*	*			trans	-110.9	79.4	163.1	52.2	0	0	0	0	109.2	E32	E32-T34 PolarHBondContact O-N 3.12Å
35	S	51.4	Low	42	Very low	125 Å²	125	135.1 Å²	135.1	87%	0.874	74%	0.742	S	S	*	*			trans	-67	129.6	151.9	-177.6	0	0	0	0	107.6
36	G	45.6	Very low	43.2	Very low	64 Å²	64	127.3 Å²	127.3	66%	0.66	71%	0.706	S	S	*	*			trans	97.4	81.1	167.2	0	0	0	0	0	116
37	S	42	Very low	44.6	Very low	93 Å²	93	118 Å²	118	65%	0.65	68%	0.68	S	S	*	*			trans	-162.4	32.5	155.2	-95.7	0	0	0	0	114.4
38	R	43	Very low	46.4	Very low	227 Å²	227	120.3 Å²	120.3	86%	0.857	67%	0.669	S	S	*	*	S	Bend	trans	-100	-26.2	167.7	-75.7	-171.5	-81.2	163.8	-3.8	113.5	L40	R38-L40 PolarHBondContact O-N 3.25Å
39	G	40	Very low	48.3	Very low	37 Å²	37	119.8 Å²	119.8	38%	0.381	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-70.1	-28.8	178	0	0	0	0	0	114.8	S108	G39-S108 VanDerWaalsContact CA-OG 3.31Å; G39-S108 WeakPolarHBondContact CA-OG 3.42Å
40	L	40.6	Very low	50.3	Low	154 Å²	154	120 Å²	120	81%	0.806	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-84.7	-11.7	-170.4	-150.1	69.1	0	0	0	114.7	R38	R38-L40 PolarHBondContact O-N 3.25Å
41	R	43.2	Very low	52.5	Low	195 Å²	195	115.3 Å²	115.3	74%	0.736	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-93.7	-12.6	-177.9	-73.9	-173.6	178.8	-177.8	0.7	114.4
42	M	47	Very low	54.3	Low	83 Å²	83	113.6 Å²	113.6	41%	0.409	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	-19.3	-170.7	-61.5	-55.4	172.5	0	0	114.4	K44 F45	M42-K44 PolarHBondContact O-N 3.3Å; M42-F45 PolarHBondContact O-N 2.94Å; M42-F45 HydrophobicContact SD-CE2 4.36Å
43	A	44.2	Very low	56.6	Low	50 Å²	50	110.2 Å²	110.2	41%	0.413	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-1.2	166.4	0	0	0	0	0	113.6	F45 I51	A43-F45 VanDerWaalsContact C-N 3.34Å; A43-I51 HydrophobicContact CB-CD1 4.14Å
44	K	44.6	Very low	58.4	Low	186 Å²	186	99.3 Å²	99.3	81%	0.809	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.9	179.2	-118.6	175.6	179.2	173.1	0	114.4	M42	M42-K44 PolarHBondContact O-N 3.3Å
45	F	53.2	Low	60.7	Low	131 Å²	131	98.9 Å²	98.9	58%	0.575	52%	0.516	S	S	*	.	S	Bend	trans	-112.2	-8.9	-176	-63.1	-77.5	0	0	0	114.5	M42 A43 H115	M42-F45 PolarHBondContact O-N 2.94Å; M42-F45 HydrophobicContact SD-CE2 4.36Å; A43-F45 VanDerWaalsContact C-N 3.34Å; F45-H115 AromaticContact CG-CE1 3.76Å
46	L	62.8	Low	62.4	Low	19 Å²	19	99.8 Å²	99.8	10%	0.099	51%	0.506	C	S	.	.	S	Bend	trans	-109.9	140	177	-63.4	170.4	0	0	0	108.3	Q50 I51 Y54 L111	L46-Q50 HydrophobicContact CB-CB 4.31Å; L46-I51 HydrophobicContact CB-CD1 4.24Å; L46-I51 HydrophobicContact CB-CG1 3.78Å; L46-Y54 HydrophobicContact CD1-CD2 3.94Å; L46-Y54 HydrophobicContact CD1-CE2 3.64Å; L46-Y54 HydrophobicContact CD2-CE2 3.99Å; L46-Y54 HydrophobicContact CG-CE2 4.45Å; L46-L111 HydrophobicContact CD1-CD2 4.11Å
47	S	73.5	Confident	64.3	Low	57 Å²	57	97.2 Å²	97.2	40%	0.399	48%	0.478	S	S	.	.			trans	-65.7	159.1	174.1	67.8	0	0	0	0	110.6	D49 Q50 I51	S47-D49 PolarHBondContact O-N 3.18Å; S47-Q50 PolarHBondContact O-N 2.99Å; S47-Q50 VanDerWaalsContact O-N 3.16Å; S47-Q50 WeakPolarHBondContact OG-CG 3.27Å; S47-Q50 PolarHBondContact OG-N 3.02Å; S47-Q50 VanDerWaalsContact OG-N 3.15Å; S47-I51 WeakPolarHBondContact O-CG1 3.35Å; S47-I51 PolarHBondContact O-N 2.94Å
48	Q	73.3	Confident	66.4	Low	128 Å²	128	93 Å²	93	60%	0.598	45%	0.448	S	S	*	.	H	α-helix	trans	-59.3	-36.1	177.3	-165.2	64.8	50.6	0	0	111.4	I51 N52	Q48-I51 PolarHBondContact O-N 3.29Å; Q48-N52 PolarHBondContact O-N 2.87Å; Q48-N52 PolarHBondContact O-ND2 3.31Å
49	D	77.4	Confident	68.4	Low	122 Å²	122	85.5 Å²	85.5	65%	0.652	43%	0.43	S	S	*	.	H	α-helix	trans	-63.8	-45.5	174.4	-61.6	-79.6	0	0	0	112.4	S47 I51 N52 E53	S47-D49 PolarHBondContact O-N 3.18Å; D49-I51 VanDerWaalsContact C-N 3.33Å; D49-I51 PolarHBondContact O-N 2.98Å; D49-N52 WeakPolarHBondContact O-CB 3.29Å; D49-N52 PolarHBondContact O-N 2.71Å; D49-E53 PolarHBondContact O-N 3.49Å
50	Q	75.5	Confident	70.6	Confident	73 Å²	73	89.8 Å²	89.8	34%	0.341	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-41	175	-79.5	-176.9	-38.5	0	0	111.9	L46 S47 N52 E53 Y54	L46-Q50 HydrophobicContact CB-CB 4.31Å; S47-Q50 PolarHBondContact O-N 2.99Å; S47-Q50 VanDerWaalsContact O-N 3.16Å; S47-Q50 WeakPolarHBondContact OG-CG 3.27Å; S47-Q50 PolarHBondContact OG-N 3.02Å; S47-Q50 VanDerWaalsContact OG-N 3.15Å; Q50-N52 VanDerWaalsContact C-N 3.28Å; Q50-N52 PolarHBondContact O-N 2.71Å; Q50-E53 PolarHBondContact O-N 3.19Å; Q50-Y54 WeakPolarHBondContact O-CB 3.49Å; Q50-Y54 WeakPolarHBondContact O-CD1 3.36Å; Q50-Y54 PolarHBondContact O-N 3.41Å
51	I	80.3	Confident	72.7	Confident	23 Å²	23	85 Å²	85	12%	0.118	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-38.9	177.4	-65.3	166.3	0	0	0	110.5	A43 L46 S47 Q48 D49 Y54 K55	A43-I51 HydrophobicContact CB-CD1 4.14Å; L46-I51 HydrophobicContact CB-CD1 4.24Å; L46-I51 HydrophobicContact CB-CG1 3.78Å; S47-I51 WeakPolarHBondContact O-CG1 3.35Å; S47-I51 PolarHBondContact O-N 2.94Å; Q48-I51 PolarHBondContact O-N 3.29Å; D49-I51 VanDerWaalsContact C-N 3.33Å; D49-I51 PolarHBondContact O-N 2.98Å; I51-Y54 PolarHBondContact O-N 3.44Å; I51-K55 WeakPolarHBondContact O-CB 3.48Å; I51-K55 PolarHBondContact O-N 3.47Å
52	N	83.3	Confident	74.7	Confident	75 Å²	75	76.2 Å²	76.2	40%	0.401	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-47.2	176.6	-70.8	-21.2	0	0	0	111.2	Q48 D49 Q50 Y54 K55 E56	Q48-N52 PolarHBondContact O-N 2.87Å; Q48-N52 PolarHBondContact O-ND2 3.31Å; D49-N52 WeakPolarHBondContact O-CB 3.29Å; D49-N52 PolarHBondContact O-N 2.71Å; Q50-N52 VanDerWaalsContact C-N 3.28Å; Q50-N52 PolarHBondContact O-N 2.71Å; N52-Y54 VanDerWaalsContact C-N 3.28Å; N52-Y54 PolarHBondContact O-N 2.9Å; N52-K55 WeakPolarHBondContact O-CB 3.32Å; N52-K55 PolarHBondContact O-N 3.44Å; N52-K55 VanDerWaalsContact O-N 3.08Å; N52-E56 WeakPolarHBondContact O-CG 3.33Å; N52-E56 PolarHBondContact O-N 2.97Å
53	E	83.7	Confident	76.1	Confident	103 Å²	103	81.4 Å²	81.4	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176.2	-170.6	178.8	178.3	0	0	111.5	D49 Q50 K55 E56 C57 L81	D49-E53 PolarHBondContact O-N 3.49Å; Q50-E53 PolarHBondContact O-N 3.19Å; E53-K55 VanDerWaalsContact C-N 3.28Å; E53-K55 PolarHBondContact O-N 2.88Å; E53-E56 PolarHBondContact O-N 3.39Å; E53-C57 WeakPolarHBondContact O-CB 3.45Å; E53-C57 PolarHBondContact O-N 2.98Å; E53-L81 HydrophobicContact CG-CD2 3.99Å
54	Y	85.8	Confident	77.8	Confident	9 Å²	9	85.5 Å²	85.5	4%	0.035	41%	0.414	C	S	.	.	H	α-helix	trans	-66	-36.2	178.6	-70.5	13	0	0	0	110.8	L46 Q50 I51 N52 F58 L81 L111 M114 I118	L46-Y54 HydrophobicContact CD1-CD2 3.94Å; L46-Y54 HydrophobicContact CD1-CE2 3.64Å; L46-Y54 HydrophobicContact CD2-CE2 3.99Å; L46-Y54 HydrophobicContact CG-CE2 4.45Å; Q50-Y54 WeakPolarHBondContact O-CB 3.49Å; Q50-Y54 WeakPolarHBondContact O-CD1 3.36Å; Q50-Y54 PolarHBondContact O-N 3.41Å; I51-Y54 PolarHBondContact O-N 3.44Å; N52-Y54 VanDerWaalsContact C-N 3.28Å; N52-Y54 PolarHBondContact O-N 2.9Å; Y54-F58 WeakPolarHBondContact O-CB 3.18Å; Y54-F58 PolarHBondContact O-N 3.49Å; Y54-L81 HydrophobicContact CD1-CB 4.39Å; Y54-L81 HydrophobicContact CD1-CD1 3.53Å; Y54-L81 HydrophobicContact CD1-CD2 3.53Å; Y54-L81 HydrophobicContact CD1-CG 3.99Å; Y54-L81 HydrophobicContact CD2-CD1 4.47Å; Y54-L81 HydrophobicContact CE1-CB 4.14Å; Y54-L81 HydrophobicContact CE1-CD1 3.98Å; Y54-L81 HydrophobicContact CE1-CD2 4.01Å; Y54-L81 HydrophobicContact CE1-CG 4.26Å; Y54-L81 HydrophobicContact CG-CD1 3.8Å; Y54-L81 HydrophobicContact CG-CD2 4.45Å; Y54-L111 HydrophobicContact CD2-CD2 3.61Å; Y54-L111 HydrophobicContact CG-CD2 4.36Å; Y54-M114 HydrophobicContact CD2-CB 4.44Å; Y54-M114 HydrophobicContact CD2-CG 4.46Å; Y54-M114 HydrophobicContact CE1-CE 4.25Å; Y54-M114 HydrophobicContact CE2-CB 3.98Å; Y54-M114 HydrophobicContact CE2-CE 4.16Å; Y54-M114 HydrophobicContact CE2-CG 4.33Å; Y54-I118 VanDerWaalsContact OH-CD1 3.24Å; Y54-I118 WeakPolarHBondContact OH-CD1 3.39Å
55	K	85.1	Confident	79.4	Confident	123 Å²	123	85.1 Å²	85.1	54%	0.535	42%	0.415	S	S	.	.	H	α-helix	trans	-70.7	-39.6	176.6	-169.2	-179.6	-179	-173.3	0	112	I51 N52 E53 F58 S59 F107	I51-K55 WeakPolarHBondContact O-CB 3.48Å; I51-K55 PolarHBondContact O-N 3.47Å; N52-K55 WeakPolarHBondContact O-CB 3.32Å; N52-K55 PolarHBondContact O-N 3.44Å; N52-K55 VanDerWaalsContact O-N 3.08Å; E53-K55 VanDerWaalsContact C-N 3.28Å; E53-K55 PolarHBondContact O-N 2.88Å; K55-F58 PolarHBondContact O-N 2.89Å; K55-S59 WeakPolarHBondContact O-CB 3.21Å; K55-S59 PolarHBondContact O-N 3.16Å; K55-S59 PolarHBondContact O-OG 3.42Å; K55-F107 HydrophobicContact CB-CE2 4.15Å; K55-F107 HydrophobicContact CB-CZ 3.78Å; K55-F107 HydrophobicContact CG-CZ 4.29Å
56	E	86.4	Confident	80.7	Confident	143 Å²	143	83.8 Å²	83.8	67%	0.668	41%	0.406	S	S	*	.	H	α-helix	trans	-63.3	-49.2	174.9	-72.2	-168.5	103.5	0	0	110.6	N52 E53 F58 S59 L60	N52-E56 WeakPolarHBondContact O-CG 3.33Å; N52-E56 PolarHBondContact O-N 2.97Å; E53-E56 PolarHBondContact O-N 3.39Å; E56-F58 PolarHBondContact O-N 3.36Å; E56-S59 PolarHBondContact O-N 2.92Å; E56-L60 PolarHBondContact O-N 3.36Å
57	C	85.6	Confident	81.7	Confident	10 Å²	10	84.6 Å²	84.6	7%	0.068	42%	0.419	C	S	.	.	H	α-helix	trans	-58.8	-47	175.2	-176.3	0	0	0	0	111.6	E53 S59 L60 Y61 A77 C80 L81	E53-C57 WeakPolarHBondContact O-CB 3.45Å; E53-C57 PolarHBondContact O-N 2.98Å; C57-S59 VanDerWaalsContact C-N 3.27Å; C57-S59 PolarHBondContact O-N 3.18Å; C57-L60 WeakPolarHBondContact O-CB 3.46Å; C57-L60 PolarHBondContact O-N 3.42Å; C57-L60 VanDerWaalsContact O-N 3.12Å; C57-Y61 WeakPolarHBondContact O-CD2 3.26Å; C57-A77 PolarHBondContact SG-O 3.08Å; C57-C80 WeakPolarHBondContact SG-CB 3.24Å; C57-L81 HydrophobicContact CB-CD1 4.21Å; C57-L81 HydrophobicContact CB-CD2 3.53Å; C57-L81 HydrophobicContact CB-CG 3.91Å
58	F	85.4	Confident	82.4	Confident	6 Å²	6	86.3 Å²	86.3	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-59.4	-38.4	177.8	-172	-87.3	0	0	0	112.5	Y54 K55 E56 L60 Y61 D62 I69 F107 F110	Y54-F58 WeakPolarHBondContact O-CB 3.18Å; Y54-F58 PolarHBondContact O-N 3.49Å; K55-F58 PolarHBondContact O-N 2.89Å; E56-F58 PolarHBondContact O-N 3.36Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 PolarHBondContact O-N 2.99Å; F58-Y61 PolarHBondContact O-N 2.96Å; F58-Y61 VanDerWaalsContact O-N 3.14Å; F58-D62 HydrophobicContact CD1-CB 4.28Å; F58-D62 HydrophobicContact CE1-CB 4.15Å; F58-D62 PolarHBondContact O-N 3.15Å; F58-I69 HydrophobicContact CD1-CG2 4.14Å; F58-I69 HydrophobicContact CD2-CD1 3.86Å; F58-I69 HydrophobicContact CD2-CG1 4.19Å; F58-I69 HydrophobicContact CD2-CG2 3.9Å; F58-I69 HydrophobicContact CE1-CG2 3.92Å; F58-I69 HydrophobicContact CE2-CB 4.21Å; F58-I69 HydrophobicContact CE2-CD1 3.77Å; F58-I69 HydrophobicContact CE2-CG1 3.62Å; F58-I69 HydrophobicContact CE2-CG2 3.69Å; F58-I69 HydrophobicContact CG-CG2 4.14Å; F58-I69 HydrophobicContact CZ-CB 4.37Å; F58-I69 HydrophobicContact CZ-CG1 4.17Å; F58-I69 HydrophobicContact CZ-CG2 3.71Å; F58-F107 HydrophobicContact CB-CD2 3.85Å; F58-F107 HydrophobicContact CB-CE2 3.91Å; F58-F107 AromaticContact CD1-CD2 3.95Å; F58-F107 HydrophobicContact CD1-CD2 3.95Å; F58-F107 AromaticContact CD2-CD2 3.68Å; F58-F107 HydrophobicContact CD2-CD2 3.68Å; F58-F107 HydrophobicContact CD2-CE2 4.42Å; F58-F107 HydrophobicContact CE1-CB 4.16Å; F58-F107 HydrophobicContact CE1-CD2 4.38Å; F58-F107 HydrophobicContact CE2-CB 4.26Å; F58-F107 HydrophobicContact CE2-CD2 4.12Å; F58-F107 AromaticContact CG-CD2 3.56Å; F58-F107 HydrophobicContact CG-CD2 3.56Å; F58-F107 HydrophobicContact CG-CE2 4.15Å; F58-F107 HydrophobicContact CZ-CB 4Å; F58-F107 HydrophobicContact CZ-CD2 4.45Å; F58-F110 HydrophobicContact CD2-CB 4.05Å; F58-F110 AromaticContact CD2-CD1 3.92Å; F58-F110 HydrophobicContact CD2-CD1 3.92Å; F58-F110 HydrophobicContact CD2-CD2 4.39Å; F58-F110 HydrophobicContact CD2-CE1 4.47Å; F58-F110 AromaticContact CD2-CG 3.86Å; F58-F110 HydrophobicContact CD2-CG 3.86Å; F58-F110 HydrophobicContact CE2-CB 3.9Å; F58-F110 HydrophobicContact CE2-CG 4.2Å
59	S	85.9	Confident	83.2	Confident	69 Å²	69	80.3 Å²	80.3	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-24.1	179.5	-58.1	0	0	0	0	113.1	K55 E56 C57 Y61	K55-S59 WeakPolarHBondContact O-CB 3.21Å; K55-S59 PolarHBondContact O-N 3.16Å; K55-S59 PolarHBondContact O-OG 3.42Å; E56-S59 PolarHBondContact O-N 2.92Å; C57-S59 VanDerWaalsContact C-N 3.27Å; C57-S59 PolarHBondContact O-N 3.18Å; S59-Y61 VanDerWaalsContact C-N 3.26Å; S59-Y61 PolarHBondContact O-N 3.41Å
60	L	85.4	Confident	83.9	Confident	126 Å²	126	79.7 Å²	79.7	66%	0.66	38%	0.383	S	S	*	.	H	α-helix	trans	-65.8	-31.2	172.9	-64.6	173.2	0	0	0	112.1	E56 C57 F58	E56-L60 PolarHBondContact O-N 3.36Å; C57-L60 WeakPolarHBondContact O-CB 3.46Å; C57-L60 PolarHBondContact O-N 3.42Å; C57-L60 VanDerWaalsContact O-N 3.12Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 PolarHBondContact O-N 2.99Å
61	Y	84.3	Confident	84.5	Confident	53 Å²	53	76.4 Å²	76.4	21%	0.208	37%	0.368	C	S	.	.	H	α-helix	trans	-96.9	-26	-177.7	-62.9	-78.8	0	0	0	112.8	C57 F58 S59 K63 D73 V76 A77 C80	C57-Y61 WeakPolarHBondContact O-CD2 3.26Å; F58-Y61 PolarHBondContact O-N 2.96Å; F58-Y61 VanDerWaalsContact O-N 3.14Å; S59-Y61 VanDerWaalsContact C-N 3.26Å; S59-Y61 PolarHBondContact O-N 3.41Å; Y61-K63 PolarHBondContact O-N 3.29Å; Y61-D73 HydrophobicContact CD1-CB 4.01Å; Y61-D73 HydrophobicContact CG-CB 4.4Å; Y61-V76 HydrophobicContact CE1-CB 4.26Å; Y61-V76 HydrophobicContact CE1-CG1 4.21Å; Y61-V76 WeakPolarHBondContact OH-CG1 3.18Å; Y61-A77 HydrophobicContact CD2-CB 3.89Å; Y61-A77 HydrophobicContact CE2-CB 3.94Å; Y61-C80 PolarHBondContact OH-SG 3.2Å
62	D	85.6	Confident	84.9	Confident	12 Å²	12	79 Å²	79	6%	0.064	39%	0.385	C	S	.	.			trans	-78.9	67.8	171.9	-175.3	16.2	0	0	0	111.8	F58 Q64 Q65 R66 G67 K68 I69	F58-D62 HydrophobicContact CD1-CB 4.28Å; F58-D62 HydrophobicContact CE1-CB 4.15Å; F58-D62 PolarHBondContact O-N 3.15Å; D62-Q64 PolarHBondContact O-N 2.96Å; D62-Q65 PolarHBondContact O-N 3.45Å; D62-Q65 PolarHBondContact OD1-N 3.36Å; D62-Q65 VanDerWaalsContact OD1-N 3.13Å; D62-Q65 VanDerWaalsContact OD2-C 3.28Å; D62-Q65 VanDerWaalsContact OD2-CA 3.27Å; D62-Q65 WeakPolarHBondContact OD2-CA 3.25Å; D62-R66 VanDerWaalsContact OD1-CG 3.32Å; D62-R66 WeakPolarHBondContact OD1-CG 3.37Å; D62-R66 PolarHBondContact OD1-N 3.28Å; D62-R66 PolarHBondContact OD2-N 2.95Å; D62-G67 VanDerWaalsContact OD2-CA 3.29Å; D62-G67 WeakPolarHBondContact OD2-CA 3.48Å; D62-G67 PolarHBondContact OD2-N 3.21Å; D62-K68 PolarHBondContact OD2-N 3.1Å; D62-I69 HydrophobicContact CB-CG2 4.07Å
63	K	77.6	Confident	85.2	Confident	191 Å²	191	77.8 Å²	77.8	83%	0.83	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.9	-178.3	-63.8	-173.8	-179.4	-176.9	0	114.2	Y61	Y61-K63 PolarHBondContact O-N 3.29Å
64	Q	78.7	Confident	85.5	Confident	136 Å²	136	72.9 Å²	72.9	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	2.8	-176.8	-60.5	-172.7	23.8	0	0	112.7	D62 R66	D62-Q64 PolarHBondContact O-N 2.96Å; Q64-R66 HydrophobicContact CB-CG 4.26Å; Q64-R66 VanDerWaalsContact CD-CZ 3.47Å; Q64-R66 PolarHBondContact O-N 2.93Å; Q64-R66 VanDerWaalsContact O-N 3.11Å; Q64-R66 VanDerWaalsContact OE1-CZ 3.26Å
65	Q	78.6	Confident	85.7	Confident	179 Å²	179	74.6 Å²	74.6	84%	0.836	36%	0.364	S	S	*	.			trans	48.5	36.8	-178	-61.3	-167.9	-13	0	0	113.1	D62 G67	D62-Q65 PolarHBondContact O-N 3.45Å; D62-Q65 PolarHBondContact OD1-N 3.36Å; D62-Q65 VanDerWaalsContact OD1-N 3.13Å; D62-Q65 VanDerWaalsContact OD2-C 3.28Å; D62-Q65 VanDerWaalsContact OD2-CA 3.27Å; D62-Q65 WeakPolarHBondContact OD2-CA 3.25Å; Q65-G67 VanDerWaalsContact C-N 3.33Å
66	R	81.3	Confident	85.8	Confident	103 Å²	103	72.1 Å²	72.1	39%	0.389	36%	0.359	S	S	.	.	S	Bend	trans	-92.4	1.8	-177.5	60.8	167.5	95.4	126	-29.5	112.7	D62 Q64 K68 E104	D62-R66 VanDerWaalsContact OD1-CG 3.32Å; D62-R66 WeakPolarHBondContact OD1-CG 3.37Å; D62-R66 PolarHBondContact OD1-N 3.28Å; D62-R66 PolarHBondContact OD2-N 2.95Å; Q64-R66 HydrophobicContact CB-CG 4.26Å; Q64-R66 VanDerWaalsContact CD-CZ 3.47Å; Q64-R66 PolarHBondContact O-N 2.93Å; Q64-R66 VanDerWaalsContact O-N 3.11Å; Q64-R66 VanDerWaalsContact OE1-CZ 3.26Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 HydrophobicContact CG-CB 4.13Å; R66-E104 IonicContact CZ-OE1 3.54Å; R66-E104 IonicContact NH1-OE1 2.72Å; R66-E104 PolarHBondContact NH1-OE1 3.21Å; R66-E104 IonicContact NH2-OE1 3.9Å
67	G	83.2	Confident	85.9	Confident	35 Å²	35	65.3 Å²	65.3	36%	0.361	33%	0.327	S	S	.	.	S	Bend	trans	74.7	21.2	-175	0	0	0	0	0	113.6	D62 Q65 D106	D62-G67 VanDerWaalsContact OD2-CA 3.29Å; D62-G67 WeakPolarHBondContact OD2-CA 3.48Å; D62-G67 PolarHBondContact OD2-N 3.21Å; Q65-G67 VanDerWaalsContact C-N 3.33Å; G67-D106 WeakPolarHBondContact O-CA 3.35Å
68	K	88.8	Confident	86	Confident	94 Å²	94	64.8 Å²	64.8	41%	0.409	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.6	-176.6	-58.6	-174.6	-178.3	-175.6	0	112.6	D62 R66 E104 L105	D62-K68 PolarHBondContact OD2-N 3.1Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 HydrophobicContact CG-CB 4.13Å; K68-E104 HydrophobicContact CB-CB 4.33Å; K68-E104 HydrophobicContact CD-CB 4.27Å; K68-L105 CarbonylContact C-O 3.55Å; K68-L105 VanDerWaalsContact CA-O 3.25Å; K68-L105 WeakPolarHBondContact CA-O 3.5Å
69	I	90.3	Very high	86	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	160.2	171.8	65.5	173.7	0	0	0	110.2	F58 D62 A77 E104 L105 F110	F58-I69 HydrophobicContact CD1-CG2 4.14Å; F58-I69 HydrophobicContact CD2-CD1 3.86Å; F58-I69 HydrophobicContact CD2-CG1 4.19Å; F58-I69 HydrophobicContact CD2-CG2 3.9Å; F58-I69 HydrophobicContact CE1-CG2 3.92Å; F58-I69 HydrophobicContact CE2-CB 4.21Å; F58-I69 HydrophobicContact CE2-CD1 3.77Å; F58-I69 HydrophobicContact CE2-CG1 3.62Å; F58-I69 HydrophobicContact CE2-CG2 3.69Å; F58-I69 HydrophobicContact CG-CG2 4.14Å; F58-I69 HydrophobicContact CZ-CB 4.37Å; F58-I69 HydrophobicContact CZ-CG1 4.17Å; F58-I69 HydrophobicContact CZ-CG2 3.71Å; D62-I69 HydrophobicContact CB-CG2 4.07Å; I69-A77 HydrophobicContact CD1-CB 4.37Å; I69-E104 CarbonylContact O-C 3.54Å; I69-E104 VanDerWaalsContact O-CA 3.26Å; I69-E104 WeakPolarHBondContact O-CA 3.44Å; I69-L105 HydrophobicContact CD1-CD1 4.22Å; I69-L105 HydrophobicContact CD1-CD2 4.38Å; I69-L105 HydrophobicContact CD1-CG 4.28Å; I69-L105 HydrophobicContact CG1-CD1 4.15Å; I69-L105 HydrophobicContact CG1-CD2 3.8Å; I69-L105 HydrophobicContact CG1-CG 3.67Å; I69-L105 PolarHBondContact N-O 3.49Å; I69-L105 PolarHBondContact O-N 3.36Å; I69-F110 HydrophobicContact CD1-CD2 4.08Å; I69-F110 HydrophobicContact CD1-CE2 4.42Å
70	K	90.3	Very high	85.9	Confident	109 Å²	109	71.1 Å²	71.1	47%	0.474	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	149	176.2	-61.5	179.6	176.8	-177.2	0	110.6	T72 D73 L74	K70-T72 WeakPolarHBondContact CB-OG1 3.33Å; K70-T72 PolarHBondContact O-N 3.36Å; K70-D73 WeakPolarHBondContact CB-OD2 3.44Å; K70-D73 PolarHBondContact O-N 3.45Å; K70-L74 PolarHBondContact O-N 2.97Å
71	A	89.8	Confident	85.7	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.033	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-56.1	-31	172.4	0	0	0	0	0	112.7	D73 L74 L94 I99 G103 L105	A71-D73 VanDerWaalsContact C-N 3.27Å; A71-D73 PolarHBondContact O-N 3.4Å; A71-L74 VanDerWaalsContact O-CB 3.3Å; A71-L74 WeakPolarHBondContact O-CB 3.34Å; A71-L74 PolarHBondContact O-N 3.18Å; A71-L94 HydrophobicContact CB-CD1 3.89Å; A71-L94 HydrophobicContact CB-CD2 3.66Å; A71-L94 HydrophobicContact CB-CG 4.45Å; A71-I99 HydrophobicContact CB-CG2 4.14Å; A71-G103 PolarHBondContact N-O 2.9Å; A71-L105 HydrophobicContact CB-CD2 4.5Å
72	T	89	Confident	85.3	Confident	78 Å²	78	66.6 Å²	66.6	48%	0.479	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-65.6	-28.4	175.5	55.7	0	0	0	0	113.6	K70	K70-T72 WeakPolarHBondContact CB-OG1 3.33Å; K70-T72 PolarHBondContact O-N 3.36Å
73	D	89.5	Confident	85.1	Confident	48 Å²	48	66.3 Å²	66.3	26%	0.257	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-89.1	-12.3	-177.2	-57.9	-37.2	0	0	0	111.8	Y61 K70 A71 M75 V76 A77	Y61-D73 HydrophobicContact CD1-CB 4.01Å; Y61-D73 HydrophobicContact CG-CB 4.4Å; K70-D73 WeakPolarHBondContact CB-OD2 3.44Å; K70-D73 PolarHBondContact O-N 3.45Å; A71-D73 VanDerWaalsContact C-N 3.27Å; A71-D73 PolarHBondContact O-N 3.4Å; D73-M75 PolarHBondContact O-N 2.84Å; D73-V76 PolarHBondContact O-N 2.78Å; D73-A77 WeakPolarHBondContact O-CB 3.18Å; D73-A77 PolarHBondContact O-N 3.46Å
74	L	89.6	Confident	85.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-56.2	-47.2	-176.9	176.2	57.8	0	0	0	112.3	K70 A71 V76 A77 M78 V90 L94 L105 F110 I113	K70-L74 PolarHBondContact O-N 2.97Å; A71-L74 VanDerWaalsContact O-CB 3.3Å; A71-L74 WeakPolarHBondContact O-CB 3.34Å; A71-L74 PolarHBondContact O-N 3.18Å; L74-V76 VanDerWaalsContact C-N 3.31Å; L74-V76 PolarHBondContact O-N 3.06Å; L74-A77 PolarHBondContact O-N 3.45Å; L74-M78 HydrophobicContact CD1-CG 3.9Å; L74-M78 HydrophobicContact CD1-SD 3.77Å; L74-M78 HydrophobicContact CD2-SD 4.47Å; L74-M78 HydrophobicContact CG-CG 4.36Å; L74-M78 HydrophobicContact CG-SD 3.76Å; L74-M78 WeakPolarHBondContact O-CB 3.5Å; L74-M78 WeakPolarHBondContact O-CG 3.2Å; L74-M78 PolarHBondContact O-N 2.92Å; L74-V90 HydrophobicContact CB-CG1 4.42Å; L74-V90 HydrophobicContact CD2-CG1 3.97Å; L74-V90 HydrophobicContact CG-CG1 4.22Å; L74-L94 HydrophobicContact CD2-CD2 3.7Å; L74-L94 HydrophobicContact CD2-CG 4.04Å; L74-L105 HydrophobicContact CB-CD2 4.45Å; L74-L105 HydrophobicContact CD1-CD1 3.95Å; L74-F110 HydrophobicContact CD1-CD2 3.68Å; L74-F110 HydrophobicContact CD1-CE2 3.89Å; L74-I113 HydrophobicContact CD1-CG2 4.29Å; L74-I113 HydrophobicContact CD2-CD1 3.91Å; L74-I113 HydrophobicContact CD2-CG2 4.38Å
75	M	88.4	Confident	85.3	Confident	45 Å²	45	54.9 Å²	54.9	22%	0.222	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-42.8	-179.5	-176	-178.7	-71.8	0	0	112	D73 M78 R79 P85 P87 V90	D73-M75 PolarHBondContact O-N 2.84Å; M75-M78 PolarHBondContact O-N 3.12Å; M75-R79 WeakPolarHBondContact O-CG 3.5Å; M75-R79 PolarHBondContact O-N 3.45Å; M75-R79 VanDerWaalsContact O-N 3.1Å; M75-P85 HydrophobicContact CG-CG 4.46Å; M75-P87 VanDerWaalsContact CE-CA 3.42Å; M75-P87 HydrophobicContact CE-CB 3.9Å; M75-P87 HydrophobicContact CE-CG 3.84Å; M75-V90 HydrophobicContact CB-CG2 4Å; M75-V90 HydrophobicContact CE-CB 4.33Å; M75-V90 HydrophobicContact CE-CG2 3.89Å; M75-V90 HydrophobicContact CG-CG2 4.2Å
76	V	87.6	Confident	85.5	Confident	71 Å²	71	48.5 Å²	48.5	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-71.5	-40.8	-178.3	-165.5	0	0	0	0	110	Y61 D73 L74 M78 R79 C80	Y61-V76 HydrophobicContact CE1-CB 4.26Å; Y61-V76 HydrophobicContact CE1-CG1 4.21Å; Y61-V76 WeakPolarHBondContact OH-CG1 3.18Å; D73-V76 PolarHBondContact O-N 2.78Å; L74-V76 VanDerWaalsContact C-N 3.31Å; L74-V76 PolarHBondContact O-N 3.06Å; V76-M78 VanDerWaalsContact C-N 3.34Å; V76-M78 PolarHBondContact O-N 3.17Å; V76-R79 PolarHBondContact O-N 2.98Å; V76-C80 PolarHBondContact O-N 3.16Å; V76-C80 PolarHBondContact O-SG 3.3Å; V76-C80 VanDerWaalsContact O-SG 3.41Å
77	A	88.4	Confident	85.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-41.4	175	0	0	0	0	0	112.5	C57 Y61 I69 D73 L74 C80 L81 F110	C57-A77 PolarHBondContact SG-O 3.08Å; Y61-A77 HydrophobicContact CD2-CB 3.89Å; Y61-A77 HydrophobicContact CE2-CB 3.94Å; I69-A77 HydrophobicContact CD1-CB 4.37Å; D73-A77 WeakPolarHBondContact O-CB 3.18Å; D73-A77 PolarHBondContact O-N 3.46Å; L74-A77 PolarHBondContact O-N 3.45Å; A77-C80 PolarHBondContact O-N 2.89Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.33Å; A77-F110 HydrophobicContact CB-CE2 3.83Å; A77-F110 HydrophobicContact CB-CZ 4.12Å
78	M	87.7	Confident	85.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-42.1	174.9	-68.1	172.6	77.2	0	0	111.5	L74 M75 V76 L81 A83 P85 V90 F110 I113 M114 Q117	L74-M78 HydrophobicContact CD1-CG 3.9Å; L74-M78 HydrophobicContact CD1-SD 3.77Å; L74-M78 HydrophobicContact CD2-SD 4.47Å; L74-M78 HydrophobicContact CG-CG 4.36Å; L74-M78 HydrophobicContact CG-SD 3.76Å; L74-M78 WeakPolarHBondContact O-CB 3.5Å; L74-M78 WeakPolarHBondContact O-CG 3.2Å; L74-M78 PolarHBondContact O-N 2.92Å; M75-M78 PolarHBondContact O-N 3.12Å; V76-M78 VanDerWaalsContact C-N 3.34Å; V76-M78 PolarHBondContact O-N 3.17Å; M78-L81 PolarHBondContact O-N 2.97Å; M78-L81 VanDerWaalsContact O-N 3.16Å; M78-A83 HydrophobicContact CB-CB 4.48Å; M78-A83 WeakPolarHBondContact O-CB 3.3Å; M78-A83 PolarHBondContact O-N 3.18Å; M78-P85 HydrophobicContact CB-CG 3.67Å; M78-P85 HydrophobicContact CE-CB 3.68Å; M78-P85 HydrophobicContact CE-CG 3.75Å; M78-P85 HydrophobicContact CG-CG 4.35Å; M78-P85 HydrophobicContact SD-CB 4.19Å; M78-P85 HydrophobicContact SD-CG 3.83Å; M78-V90 HydrophobicContact SD-CG2 4.23Å; M78-F110 HydrophobicContact CG-CE2 4.44Å; M78-I113 HydrophobicContact CE-CG2 3.99Å; M78-I113 HydrophobicContact SD-CG2 4.06Å; M78-M114 HydrophobicContact CB-SD 4.03Å; M78-M114 HydrophobicContact CG-SD 3.61Å; M78-Q117 HydrophobicContact CE-CB 3.52Å; M78-Q117 HydrophobicContact CE-CG 3.47Å; M78-Q117 VanDerWaalsContact CE-CG 3.47Å
79	R	85.4	Confident	85.2	Confident	138 Å²	138	44.1 Å²	44.1	52%	0.521	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-38.1	176.9	-71.3	175.4	-177.2	-163.9	-0.7	114.2	M75 V76 L81 G82 A83	M75-R79 WeakPolarHBondContact O-CG 3.5Å; M75-R79 PolarHBondContact O-N 3.45Å; M75-R79 VanDerWaalsContact O-N 3.1Å; V76-R79 PolarHBondContact O-N 2.98Å; R79-L81 PolarHBondContact O-N 3.49Å; R79-G82 PolarHBondContact O-N 3.14Å; R79-A83 WeakPolarHBondContact CA-O 3.48Å; R79-A83 WeakPolarHBondContact CG-O 3.45Å
80	C	83.6	Confident	85	Confident	69 Å²	69	44.6 Å²	44.6	47%	0.466	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-22.7	173.8	-75.6	0	0	0	0	113.1	C57 Y61 V76 A77	C57-C80 WeakPolarHBondContact SG-CB 3.24Å; Y61-C80 PolarHBondContact OH-SG 3.2Å; V76-C80 PolarHBondContact O-N 3.16Å; V76-C80 PolarHBondContact O-SG 3.3Å; V76-C80 VanDerWaalsContact O-SG 3.41Å; A77-C80 PolarHBondContact O-N 2.89Å
81	L	81.8	Confident	84.8	Confident	22 Å²	22	44.9 Å²	44.9	12%	0.115	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	14.1	179	-63.6	173.7	0	0	0	112.7	E53 Y54 C57 A77 M78 R79 A83 F110 M114	E53-L81 HydrophobicContact CG-CD2 3.99Å; Y54-L81 HydrophobicContact CD1-CB 4.39Å; Y54-L81 HydrophobicContact CD1-CD1 3.53Å; Y54-L81 HydrophobicContact CD1-CD2 3.53Å; Y54-L81 HydrophobicContact CD1-CG 3.99Å; Y54-L81 HydrophobicContact CD2-CD1 4.47Å; Y54-L81 HydrophobicContact CE1-CB 4.14Å; Y54-L81 HydrophobicContact CE1-CD1 3.98Å; Y54-L81 HydrophobicContact CE1-CD2 4.01Å; Y54-L81 HydrophobicContact CE1-CG 4.26Å; Y54-L81 HydrophobicContact CG-CD1 3.8Å; Y54-L81 HydrophobicContact CG-CD2 4.45Å; C57-L81 HydrophobicContact CB-CD1 4.21Å; C57-L81 HydrophobicContact CB-CD2 3.53Å; C57-L81 HydrophobicContact CB-CG 3.91Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.33Å; M78-L81 PolarHBondContact O-N 2.97Å; M78-L81 VanDerWaalsContact O-N 3.16Å; R79-L81 PolarHBondContact O-N 3.49Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 3.01Å; L81-F110 HydrophobicContact CD1-CE1 3.72Å; L81-F110 HydrophobicContact CD1-CZ 3.5Å; L81-M114 HydrophobicContact CB-CE 3.51Å; L81-M114 HydrophobicContact CD1-CE 3.57Å; L81-M114 HydrophobicContact CD1-SD 4.13Å; L81-M114 HydrophobicContact CG-CE 4.19Å
82	G	77.2	Confident	84.7	Confident	63 Å²	63	49.3 Å²	49.3	65%	0.649	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	2.9	175.7	0	0	0	0	0	115.5	R79	R79-G82 PolarHBondContact O-N 3.14Å
83	A	80.4	Confident	84.7	Confident	6 Å²	6	45.6 Å²	45.6	5%	0.05	26%	0.263	C	S	.	.			trans	-84.9	149.1	172.3	0	0	0	0	0	111	M78 R79 L81 P85 M114 Q117	M78-A83 HydrophobicContact CB-CB 4.48Å; M78-A83 WeakPolarHBondContact O-CB 3.3Å; M78-A83 PolarHBondContact O-N 3.18Å; R79-A83 WeakPolarHBondContact CA-O 3.48Å; R79-A83 WeakPolarHBondContact CG-O 3.45Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 3.01Å; A83-P85 WeakPolarHBondContact O-CD 3.44Å; A83-M114 HydrophobicContact CB-CE 4.46Å; A83-Q117 HydrophobicContact CB-CG 4.22Å
84	S	78.9	Confident	84.7	Confident	86 Å²	86	44 Å²	44	60%	0.601	26%	0.255	S	S	*	.			trans	-118.3	61.3	-179.3	-64.3	0	0	0	0	112.2	E121	S84-E121 VanDerWaalsContact N-CD 3.26Å; S84-E121 PolarHBondContact N-OE1 3.28Å; S84-E121 PolarHBondContact N-OE2 2.88Å
85	P	82.3	Confident	84.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	28%	0.284	C	S	.	.			trans	-69.3	143.9	-177.5	32.5	-38.9	0	0	0	112	M75 M78 A83 E89 V90 Q117	M75-P85 HydrophobicContact CG-CG 4.46Å; M78-P85 HydrophobicContact CB-CG 3.67Å; M78-P85 HydrophobicContact CE-CB 3.68Å; M78-P85 HydrophobicContact CE-CG 3.75Å; M78-P85 HydrophobicContact CG-CG 4.35Å; M78-P85 HydrophobicContact SD-CB 4.19Å; M78-P85 HydrophobicContact SD-CG 3.83Å; A83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-E89 VanDerWaalsContact CA-OE2 3.29Å; P85-E89 WeakPolarHBondContact CA-OE2 3.03Å; P85-E89 HydrophobicContact CB-CB 4.45Å; P85-V90 HydrophobicContact CB-CG2 3.87Å; P85-V90 HydrophobicContact CG-CG2 4.07Å; P85-Q117 HydrophobicContact CB-CG 4.41Å
86	T	81.8	Confident	84.6	Confident	45 Å²	45	52.4 Å²	52.4	28%	0.276	30%	0.3	S	S	.	.			trans	-78.9	160.4	170.4	82.6	0	0	0	0	111.2	G88 E89 V90 E156	T86-G88 PolarHBondContact O-N 3.32Å; T86-G88 PolarHBondContact OG1-N 2.95Å; T86-E89 PolarHBondContact N-OE2 3.2Å; T86-E89 PolarHBondContact O-N 2.85Å; T86-E89 PolarHBondContact OG1-N 2.73Å; T86-V90 WeakPolarHBondContact O-CG2 3.2Å; T86-V90 PolarHBondContact O-N 2.91Å; T86-E156 WeakPolarHBondContact CB-OE2 3.47Å; T86-E156 VanDerWaalsContact CG2-OE2 3.27Å; T86-E156 WeakPolarHBondContact CG2-OE2 3.4Å; T86-E156 PolarHBondContact OG1-OE1 2.93Å; T86-E156 PolarHBondContact OG1-OE2 3.49Å
87	P	81.6	Confident	84.5	Confident	90 Å²	90	52.1 Å²	52.1	58%	0.584	29%	0.294	S	S	*	.	H	α-helix	trans	-56.2	-34.2	171.2	-22.5	32	0	0	0	113.8	M75 Q91	M75-P87 VanDerWaalsContact CE-CA 3.42Å; M75-P87 HydrophobicContact CE-CB 3.9Å; M75-P87 HydrophobicContact CE-CG 3.84Å; P87-Q91 WeakPolarHBondContact O-CB 3.15Å; P87-Q91 PolarHBondContact O-N 3.42Å
88	G	81	Confident	84.4	Confident	26 Å²	26	55.2 Å²	55.2	27%	0.268	33%	0.326	S	S	.	.	H	α-helix	trans	-70.5	-39.4	178.2	0	0	0	0	0	112.5	T86 Q91 R92 E156	T86-G88 PolarHBondContact O-N 3.32Å; T86-G88 PolarHBondContact OG1-N 2.95Å; G88-Q91 PolarHBondContact O-N 3.06Å; G88-R92 VanDerWaalsContact O-CB 3.28Å; G88-R92 WeakPolarHBondContact O-CB 3.43Å; G88-R92 PolarHBondContact O-N 3.2Å; G88-E156 VanDerWaalsContact CA-OE1 3.31Å; G88-E156 WeakPolarHBondContact CA-OE1 3.34Å
89	E	83.8	Confident	84.4	Confident	24 Å²	24	56.4 Å²	56.4	11%	0.112	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-49.8	173.1	-78.3	173.5	138.8	0	0	111.7	P85 T86 Q91 R92 H93 Q117 E156	P85-E89 VanDerWaalsContact CA-OE2 3.29Å; P85-E89 WeakPolarHBondContact CA-OE2 3.03Å; P85-E89 HydrophobicContact CB-CB 4.45Å; T86-E89 PolarHBondContact N-OE2 3.2Å; T86-E89 PolarHBondContact O-N 2.85Å; T86-E89 PolarHBondContact OG1-N 2.73Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 3.46Å; E89-R92 WeakPolarHBondContact O-CB 3.31Å; E89-R92 PolarHBondContact O-N 3.44Å; E89-R92 VanDerWaalsContact O-N 3.13Å; E89-H93 PolarHBondContact O-CD2 3.1Å; E89-H93 PolarHBondContact O-N 2.89Å; E89-Q117 PolarHBondContact OE1-NE2 3.19Å; E89-Q117 PolarHBondContact OE2-NE2 3.45Å; E89-E156 WeakPolarHBondContact CG-OE2 3.34Å; E89-E156 PolarHBondContact N-OE1 2.95Å; E89-E156 VanDerWaalsContact N-OE1 3.16Å
90	V	87.6	Confident	84.4	Confident	11 Å²	11	56 Å²	56	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-57.9	-46.5	178	177.2	0	0	0	0	110.1	L74 M75 M78 P85 T86 R92 H93 L94	L74-V90 HydrophobicContact CB-CG1 4.42Å; L74-V90 HydrophobicContact CD2-CG1 3.97Å; L74-V90 HydrophobicContact CG-CG1 4.22Å; M75-V90 HydrophobicContact CB-CG2 4Å; M75-V90 HydrophobicContact CE-CB 4.33Å; M75-V90 HydrophobicContact CE-CG2 3.89Å; M75-V90 HydrophobicContact CG-CG2 4.2Å; M78-V90 HydrophobicContact SD-CG2 4.23Å; P85-V90 HydrophobicContact CB-CG2 3.87Å; P85-V90 HydrophobicContact CG-CG2 4.07Å; T86-V90 WeakPolarHBondContact O-CG2 3.2Å; T86-V90 PolarHBondContact O-N 2.91Å; V90-R92 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 3.26Å; V90-H93 PolarHBondContact O-N 3.42Å; V90-L94 HydrophobicContact CG1-CD1 4.08Å; V90-L94 HydrophobicContact CG1-CG 4.48Å; V90-L94 VanDerWaalsContact O-CG 3.25Å; V90-L94 WeakPolarHBondContact O-CG 3.25Å; V90-L94 PolarHBondContact O-N 3.41Å
91	Q	85.9	Confident	84	Confident	115 Å²	115	55.2 Å²	55.2	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-39.8	178.2	-172.4	177.2	8.2	0	0	112.3	P87 G88 E89 L94 Q95	P87-Q91 WeakPolarHBondContact O-CB 3.15Å; P87-Q91 PolarHBondContact O-N 3.42Å; G88-Q91 PolarHBondContact O-N 3.06Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 3.46Å; Q91-L94 PolarHBondContact O-N 3.39Å; Q91-Q95 WeakPolarHBondContact O-CG 3.29Å; Q91-Q95 PolarHBondContact O-N 3.01Å
92	R	86.6	Confident	84	Confident	97 Å²	97	61.2 Å²	61.2	37%	0.366	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-42.7	176.4	170.6	169	49.1	-102	5.7	112	G88 E89 V90 Q95 T96 E156	G88-R92 VanDerWaalsContact O-CB 3.28Å; G88-R92 WeakPolarHBondContact O-CB 3.43Å; G88-R92 PolarHBondContact O-N 3.2Å; E89-R92 WeakPolarHBondContact O-CB 3.31Å; E89-R92 PolarHBondContact O-N 3.44Å; E89-R92 VanDerWaalsContact O-N 3.13Å; V90-R92 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 3.26Å; R92-Q95 PolarHBondContact O-N 2.96Å; R92-T96 WeakPolarHBondContact O-CB 3.39Å; R92-T96 PolarHBondContact O-N 2.82Å; R92-T96 PolarHBondContact O-OG1 3.44Å; R92-E156 IonicContact CZ-OE1 3.08Å; R92-E156 IonicContact NH1-OE1 3.14Å; R92-E156 PolarHBondContact NH1-OE1 3.46Å; R92-E156 VanDerWaalsContact NH1-OE1 3.08Å; R92-E156 VanDerWaalsContact NH2-CD 3.35Å; R92-E156 IonicContact NH2-OE1 2.76Å; R92-E156 PolarHBondContact NH2-OE1 3.33Å; R92-E156 IonicContact NH2-OE2 2.79Å
93	H	89.5	Confident	84.4	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-47.1	173.4	-71.8	-53.2	0	0	0	111	E89 V90 Q95 T96 H97 I113 Q117	E89-H93 PolarHBondContact O-CD2 3.1Å; E89-H93 PolarHBondContact O-N 2.89Å; V90-H93 PolarHBondContact O-N 3.42Å; H93-Q95 PolarHBondContact O-N 3.32Å; H93-T96 PolarHBondContact O-N 3.17Å; H93-H97 PolarHBondContact O-CD2 3Å; H93-H97 VanDerWaalsContact O-CD2 3.28Å; H93-H97 PolarHBondContact O-N 2.99Å; H93-I113 HydrophobicContact CB-CD1 4.25Å; H93-I113 HydrophobicContact CB-CG1 4.11Å; H93-I113 HydrophobicContact CB-CG2 3.82Å; H93-Q117 PolarHBondContact NE2-OE1 3.3Å
94	L	89.6	Confident	84.9	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.068	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-48.1	177.1	-68.7	172.2	0	0	0	112	A71 L74 V90 Q91 T96 H97 G98 I99	A71-L94 HydrophobicContact CB-CD1 3.89Å; A71-L94 HydrophobicContact CB-CD2 3.66Å; A71-L94 HydrophobicContact CB-CG 4.45Å; L74-L94 HydrophobicContact CD2-CD2 3.7Å; L74-L94 HydrophobicContact CD2-CG 4.04Å; V90-L94 HydrophobicContact CG1-CD1 4.08Å; V90-L94 HydrophobicContact CG1-CG 4.48Å; V90-L94 VanDerWaalsContact O-CG 3.25Å; V90-L94 WeakPolarHBondContact O-CG 3.25Å; V90-L94 PolarHBondContact O-N 3.41Å; Q91-L94 PolarHBondContact O-N 3.39Å; L94-T96 PolarHBondContact O-N 3.12Å; L94-H97 CarbonylContact O-C 3.54Å; L94-H97 PolarHBondContact O-N 3.24Å; L94-G98 PolarHBondContact O-N 3.42Å; L94-G98 VanDerWaalsContact O-N 3.1Å; L94-I99 CarbonylContact C-O 3.6Å; L94-I99 HydrophobicContact CB-CB 4.48Å; L94-I99 HydrophobicContact CD2-CB 4.03Å; L94-I99 HydrophobicContact CD2-CD1 4.4Å; L94-I99 HydrophobicContact CD2-CG2 3.84Å; L94-I99 PolarHBondContact O-N 3.47Å
95	Q	88	Confident	85.4	Confident	131 Å²	131	58.5 Å²	58.5	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-62.1	-40.8	177	-76.6	-175.8	39.4	0	0	113	Q91 R92 H93 H97 G98	Q91-Q95 WeakPolarHBondContact O-CG 3.29Å; Q91-Q95 PolarHBondContact O-N 3.01Å; R92-Q95 PolarHBondContact O-N 2.96Å; H93-Q95 PolarHBondContact O-N 3.32Å; Q95-H97 PolarHBondContact O-N 2.7Å; Q95-G98 PolarHBondContact O-N 2.78Å
96	T	87.4	Confident	85.8	Confident	92 Å²	92	61.5 Å²	61.5	56%	0.564	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-32.1	178.5	-59.7	0	0	0	0	111.6	R92 H93 L94	R92-T96 WeakPolarHBondContact O-CB 3.39Å; R92-T96 PolarHBondContact O-N 2.82Å; R92-T96 PolarHBondContact O-OG1 3.44Å; H93-T96 PolarHBondContact O-N 3.17Å; L94-T96 PolarHBondContact O-N 3.12Å
97	H	85.8	Confident	86.1	Confident	65 Å²	65	61.6 Å²	61.6	30%	0.301	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	2.9	177.6	-75.3	-83.7	0	0	0	113.9	H93 L94 Q95 I99 T109	H93-H97 PolarHBondContact O-CD2 3Å; H93-H97 VanDerWaalsContact O-CD2 3.28Å; H93-H97 PolarHBondContact O-N 2.99Å; L94-H97 CarbonylContact O-C 3.54Å; L94-H97 PolarHBondContact O-N 3.24Å; Q95-H97 PolarHBondContact O-N 2.7Å; H97-I99 VanDerWaalsContact C-N 3.28Å; H97-I99 HydrophobicContact CB-CD1 3.78Å; H97-I99 HydrophobicContact CB-CG1 4.18Å; H97-I99 PolarHBondContact O-N 2.98Å; H97-T109 HydrophobicContact CB-CG2 4.2Å
98	G	85.9	Confident	86.4	Confident	65 Å²	65	59.4 Å²	59.4	67%	0.67	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	28.9	-179.2	0	0	0	0	0	113.5	L94 Q95	L94-G98 PolarHBondContact O-N 3.42Å; L94-G98 VanDerWaalsContact O-N 3.1Å; Q95-G98 PolarHBondContact O-N 2.78Å
99	I	88.4	Confident	86.7	Confident	25 Å²	25	59.4 Å²	59.4	13%	0.128	34%	0.335	C	S	.	.			trans	-100.7	124.4	179.5	-60.4	160	0	0	0	108.8	A71 L94 H97 L105 T109	A71-I99 HydrophobicContact CB-CG2 4.14Å; L94-I99 CarbonylContact C-O 3.6Å; L94-I99 HydrophobicContact CB-CB 4.48Å; L94-I99 HydrophobicContact CD2-CB 4.03Å; L94-I99 HydrophobicContact CD2-CD1 4.4Å; L94-I99 HydrophobicContact CD2-CG2 3.84Å; L94-I99 PolarHBondContact O-N 3.47Å; H97-I99 VanDerWaalsContact C-N 3.28Å; H97-I99 HydrophobicContact CB-CD1 3.78Å; H97-I99 HydrophobicContact CB-CG1 4.18Å; H97-I99 PolarHBondContact O-N 2.98Å; I99-L105 HydrophobicContact CD1-CB 3.79Å; I99-T109 HydrophobicContact CD1-CG2 3.82Å
100	D	84.7	Confident	87	Confident	128 Å²	128	58.2 Å²	58.2	68%	0.684	33%	0.33	S	S	*	.			trans	-68.7	157.7	172.5	-62.7	-71.1	0	0	0	111.6	N102 G103	D100-N102 PolarHBondContact O-N 3.31Å; D100-G103 PolarHBondContact O-N 3.25Å
101	G	76.3	Confident	87	Confident	54 Å²	54	58.7 Å²	58.7	56%	0.557	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.2	-179.9	0	0	0	0	0	115
102	N	80.7	Confident	87	Confident	147 Å²	147	54.9 Å²	54.9	79%	0.786	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	10.6	175.5	-141.6	82.4	0	0	0	113.1	D100	D100-N102 PolarHBondContact O-N 3.31Å
103	G	86.6	Confident	87.1	Confident	20 Å²	20	50.3 Å²	50.3	21%	0.206	30%	0.299	C	S	.	.			trans	-76.5	-178.1	177.3	0	0	0	0	0	112.6	A71 D100	A71-G103 PolarHBondContact N-O 2.9Å; D100-G103 PolarHBondContact O-N 3.25Å
104	E	89.9	Confident	86.9	Confident	78 Å²	78	50.3 Å²	50.3	36%	0.364	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.4	176.7	-61.1	-174	150.5	0	0	109.4	R66 K68 I69	R66-E104 IonicContact CZ-OE1 3.54Å; R66-E104 IonicContact NH1-OE1 2.72Å; R66-E104 PolarHBondContact NH1-OE1 3.21Å; R66-E104 IonicContact NH2-OE1 3.9Å; K68-E104 HydrophobicContact CB-CB 4.33Å; K68-E104 HydrophobicContact CD-CB 4.27Å; I69-E104 CarbonylContact O-C 3.54Å; I69-E104 VanDerWaalsContact O-CA 3.26Å; I69-E104 WeakPolarHBondContact O-CA 3.44Å
105	L	90.9	Very high	86.6	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.7	175.1	60.6	147.9	0	0	0	110.8	K68 I69 A71 L74 I99 T109 F110 I113	K68-L105 CarbonylContact C-O 3.55Å; K68-L105 VanDerWaalsContact CA-O 3.25Å; K68-L105 WeakPolarHBondContact CA-O 3.5Å; I69-L105 HydrophobicContact CD1-CD1 4.22Å; I69-L105 HydrophobicContact CD1-CD2 4.38Å; I69-L105 HydrophobicContact CD1-CG 4.28Å; I69-L105 HydrophobicContact CG1-CD1 4.15Å; I69-L105 HydrophobicContact CG1-CD2 3.8Å; I69-L105 HydrophobicContact CG1-CG 3.67Å; I69-L105 PolarHBondContact N-O 3.49Å; I69-L105 PolarHBondContact O-N 3.36Å; A71-L105 HydrophobicContact CB-CD2 4.5Å; L74-L105 HydrophobicContact CB-CD2 4.45Å; L74-L105 HydrophobicContact CD1-CD1 3.95Å; I99-L105 HydrophobicContact CD1-CB 3.79Å; L105-T109 HydrophobicContact CB-CG2 4.24Å; L105-F110 HydrophobicContact CD1-CB 3.94Å; L105-F110 HydrophobicContact CD1-CD2 4.22Å; L105-I113 HydrophobicContact CD1-CD1 4.26Å
106	D	90.6	Very high	86.2	Confident	63 Å²	63	47.9 Å²	47.9	34%	0.337	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	165.4	173.5	66.4	-84.4	0	0	0	111.8	G67 S108 T109 F110	G67-D106 WeakPolarHBondContact O-CA 3.35Å; D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.22Å; D106-S108 WeakPolarHBondContact OD2-CA 3.21Å; D106-S108 WeakPolarHBondContact OD2-CB 3.34Å; D106-S108 PolarHBondContact OD2-N 3.05Å; D106-T109 PolarHBondContact O-N 2.83Å; D106-T109 VanDerWaalsContact O-N 3.14Å; D106-T109 PolarHBondContact OD1-OG1 3.41Å; D106-T109 PolarHBondContact OD2-N 3.04Å; D106-F110 PolarHBondContact O-N 3.02Å
107	F	86.7	Confident	86	Confident	48 Å²	48	43.5 Å²	43.5	21%	0.211	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-35	-179.3	-172.1	-115.6	0	0	0	113.6	K55 F58 T109 F110 L111	K55-F107 HydrophobicContact CB-CE2 4.15Å; K55-F107 HydrophobicContact CB-CZ 3.78Å; K55-F107 HydrophobicContact CG-CZ 4.29Å; F58-F107 HydrophobicContact CB-CD2 3.85Å; F58-F107 HydrophobicContact CB-CE2 3.91Å; F58-F107 AromaticContact CD1-CD2 3.95Å; F58-F107 HydrophobicContact CD1-CD2 3.95Å; F58-F107 AromaticContact CD2-CD2 3.68Å; F58-F107 HydrophobicContact CD2-CD2 3.68Å; F58-F107 HydrophobicContact CD2-CE2 4.42Å; F58-F107 HydrophobicContact CE1-CB 4.16Å; F58-F107 HydrophobicContact CE1-CD2 4.38Å; F58-F107 HydrophobicContact CE2-CB 4.26Å; F58-F107 HydrophobicContact CE2-CD2 4.12Å; F58-F107 AromaticContact CG-CD2 3.56Å; F58-F107 HydrophobicContact CG-CD2 3.56Å; F58-F107 HydrophobicContact CG-CE2 4.15Å; F58-F107 HydrophobicContact CZ-CB 4Å; F58-F107 HydrophobicContact CZ-CD2 4.45Å; F107-T109 VanDerWaalsContact C-N 3.34Å; F107-T109 PolarHBondContact O-N 2.52Å; F107-F110 HydrophobicContact CD2-CD1 4.26Å; F107-F110 HydrophobicContact CE2-CD1 4.21Å; F107-F110 WeakPolarHBondContact O-CB 3.31Å; F107-F110 PolarHBondContact O-N 3.03Å; F107-L111 HydrophobicContact CD1-CD1 4.14Å; F107-L111 HydrophobicContact CD1-CG 4.34Å; F107-L111 HydrophobicContact CE1-CD1 3.72Å; F107-L111 HydrophobicContact CE1-CD2 4.22Å; F107-L111 HydrophobicContact CE1-CG 4.01Å; F107-L111 HydrophobicContact CE2-CD2 4.22Å; F107-L111 HydrophobicContact CE2-CG 4.43Å; F107-L111 HydrophobicContact CZ-CD1 4.19Å; F107-L111 HydrophobicContact CZ-CD2 3.83Å; F107-L111 HydrophobicContact CZ-CG 4.06Å; F107-L111 WeakPolarHBondContact O-CG 3.42Å; F107-L111 PolarHBondContact O-N 3.37Å
108	S	87.6	Confident	85.5	Confident	44 Å²	44	44 Å²	44	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-67.8	-38	178.4	-173.3	0	0	0	0	111.4	G39 D106 T112	G39-S108 VanDerWaalsContact CA-OG 3.31Å; G39-S108 WeakPolarHBondContact CA-OG 3.42Å; D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.22Å; D106-S108 WeakPolarHBondContact OD2-CA 3.21Å; D106-S108 WeakPolarHBondContact OD2-CB 3.34Å; D106-S108 PolarHBondContact OD2-N 3.05Å; S108-T112 PolarHBondContact O-N 3.16Å; S108-T112 PolarHBondContact O-OG1 3.31Å
109	T	88.9	Confident	84.7	Confident	25 Å²	25	47.6 Å²	47.6	15%	0.153	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-43.1	174.6	-60.3	0	0	0	0	110.7	H97 I99 L105 D106 F107 L111 T112 I113	H97-T109 HydrophobicContact CB-CG2 4.2Å; I99-T109 HydrophobicContact CD1-CG2 3.82Å; L105-T109 HydrophobicContact CB-CG2 4.24Å; D106-T109 PolarHBondContact O-N 2.83Å; D106-T109 VanDerWaalsContact O-N 3.14Å; D106-T109 PolarHBondContact OD1-OG1 3.41Å; D106-T109 PolarHBondContact OD2-N 3.04Å; F107-T109 VanDerWaalsContact C-N 3.34Å; F107-T109 PolarHBondContact O-N 2.52Å; T109-L111 PolarHBondContact O-N 3.23Å; T109-T112 WeakPolarHBondContact O-CB 3.39Å; T109-T112 PolarHBondContact O-N 2.92Å; T109-T112 VanDerWaalsContact O-N 3.12Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CG1 3.37Å; T109-I113 PolarHBondContact O-N 3.41Å
110	F	88.9	Confident	83.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-48.1	174.7	178.4	-104.9	0	0	0	112.9	F58 I69 L74 A77 M78 L81 L105 D106 F107 T112 I113 M114	F58-F110 HydrophobicContact CD2-CB 4.05Å; F58-F110 AromaticContact CD2-CD1 3.92Å; F58-F110 HydrophobicContact CD2-CD1 3.92Å; F58-F110 HydrophobicContact CD2-CD2 4.39Å; F58-F110 HydrophobicContact CD2-CE1 4.47Å; F58-F110 AromaticContact CD2-CG 3.86Å; F58-F110 HydrophobicContact CD2-CG 3.86Å; F58-F110 HydrophobicContact CE2-CB 3.9Å; F58-F110 HydrophobicContact CE2-CG 4.2Å; I69-F110 HydrophobicContact CD1-CD2 4.08Å; I69-F110 HydrophobicContact CD1-CE2 4.42Å; L74-F110 HydrophobicContact CD1-CD2 3.68Å; L74-F110 HydrophobicContact CD1-CE2 3.89Å; A77-F110 HydrophobicContact CB-CE2 3.83Å; A77-F110 HydrophobicContact CB-CZ 4.12Å; M78-F110 HydrophobicContact CG-CE2 4.44Å; L81-F110 HydrophobicContact CD1-CE1 3.72Å; L81-F110 HydrophobicContact CD1-CZ 3.5Å; L105-F110 HydrophobicContact CD1-CB 3.94Å; L105-F110 HydrophobicContact CD1-CD2 4.22Å; D106-F110 PolarHBondContact O-N 3.02Å; F107-F110 HydrophobicContact CD2-CD1 4.26Å; F107-F110 HydrophobicContact CE2-CD1 4.21Å; F107-F110 WeakPolarHBondContact O-CB 3.31Å; F107-F110 PolarHBondContact O-N 3.03Å; F110-T112 PolarHBondContact O-N 3.06Å; F110-I113 PolarHBondContact O-N 2.84Å; F110-M114 HydrophobicContact CD1-CG 4.22Å; F110-M114 HydrophobicContact CD2-CG 4.44Å; F110-M114 HydrophobicContact CE1-CG 3.81Å; F110-M114 HydrophobicContact CE2-CG 4.06Å; F110-M114 HydrophobicContact CE2-SD 4.28Å; F110-M114 HydrophobicContact CZ-CG 3.74Å; F110-M114 HydrophobicContact CZ-SD 4.01Å; F110-M114 WeakPolarHBondContact O-CG 3.38Å; F110-M114 PolarHBondContact O-N 3.13Å
111	L	87.8	Confident	82.8	Confident	21 Å²	21	47 Å²	47	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-37.7	176.4	-70.2	-176.5	0	0	0	112.5	L46 Y54 F107 T109 H115	L46-L111 HydrophobicContact CD1-CD2 4.11Å; Y54-L111 HydrophobicContact CD2-CD2 3.61Å; Y54-L111 HydrophobicContact CG-CD2 4.36Å; F107-L111 HydrophobicContact CD1-CD1 4.14Å; F107-L111 HydrophobicContact CD1-CG 4.34Å; F107-L111 HydrophobicContact CE1-CD1 3.72Å; F107-L111 HydrophobicContact CE1-CD2 4.22Å; F107-L111 HydrophobicContact CE1-CG 4.01Å; F107-L111 HydrophobicContact CE2-CD2 4.22Å; F107-L111 HydrophobicContact CE2-CG 4.43Å; F107-L111 HydrophobicContact CZ-CD1 4.19Å; F107-L111 HydrophobicContact CZ-CD2 3.83Å; F107-L111 HydrophobicContact CZ-CG 4.06Å; F107-L111 WeakPolarHBondContact O-CG 3.42Å; F107-L111 PolarHBondContact O-N 3.37Å; T109-L111 PolarHBondContact O-N 3.23Å; L111-H115 WeakPolarHBondContact O-CB 3.48Å; L111-H115 PolarHBondContact O-N 2.77Å
112	T	86.6	Confident	82.3	Confident	35 Å²	35	47.9 Å²	47.9	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-44.8	178.5	-55.1	0	0	0	0	110.9	S108 T109 F110 H115 M116	S108-T112 PolarHBondContact O-N 3.16Å; S108-T112 PolarHBondContact O-OG1 3.31Å; T109-T112 WeakPolarHBondContact O-CB 3.39Å; T109-T112 PolarHBondContact O-N 2.92Å; T109-T112 VanDerWaalsContact O-N 3.12Å; F110-T112 PolarHBondContact O-N 3.06Å; T112-H115 PolarHBondContact O-N 3.49Å; T112-M116 HydrophobicContact CG2-SD 4.28Å; T112-M116 WeakPolarHBondContact O-CG 3.27Å; T112-M116 PolarHBondContact O-N 3.46Å
113	I	88.6	Confident	81.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-46.7	176.9	-67.5	172.3	0	0	0	110.7	L74 M78 H93 L105 T109 F110 H115 M116 Q117	L74-I113 HydrophobicContact CD1-CG2 4.29Å; L74-I113 HydrophobicContact CD2-CD1 3.91Å; L74-I113 HydrophobicContact CD2-CG2 4.38Å; M78-I113 HydrophobicContact CE-CG2 3.99Å; M78-I113 HydrophobicContact SD-CG2 4.06Å; H93-I113 HydrophobicContact CB-CD1 4.25Å; H93-I113 HydrophobicContact CB-CG1 4.11Å; H93-I113 HydrophobicContact CB-CG2 3.82Å; L105-I113 HydrophobicContact CD1-CD1 4.26Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CG1 3.37Å; T109-I113 PolarHBondContact O-N 3.41Å; F110-I113 PolarHBondContact O-N 2.84Å; I113-H115 VanDerWaalsContact C-N 3.34Å; I113-H115 PolarHBondContact O-N 2.81Å; I113-M116 PolarHBondContact O-N 2.92Å; I113-Q117 WeakPolarHBondContact O-CB 3.44Å; I113-Q117 PolarHBondContact O-N 3.48Å
114	M	85.7	Confident	80.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-57.8	-46.1	177.1	-75.1	-63.1	-67.4	0	0	111.7	Y54 M78 L81 A83 F110 M116 Q117 I118	Y54-M114 HydrophobicContact CD2-CB 4.44Å; Y54-M114 HydrophobicContact CD2-CG 4.46Å; Y54-M114 HydrophobicContact CE1-CE 4.25Å; Y54-M114 HydrophobicContact CE2-CB 3.98Å; Y54-M114 HydrophobicContact CE2-CE 4.16Å; Y54-M114 HydrophobicContact CE2-CG 4.33Å; M78-M114 HydrophobicContact CB-SD 4.03Å; M78-M114 HydrophobicContact CG-SD 3.61Å; L81-M114 HydrophobicContact CB-CE 3.51Å; L81-M114 HydrophobicContact CD1-CE 3.57Å; L81-M114 HydrophobicContact CD1-SD 4.13Å; L81-M114 HydrophobicContact CG-CE 4.19Å; A83-M114 HydrophobicContact CB-CE 4.46Å; F110-M114 HydrophobicContact CD1-CG 4.22Å; F110-M114 HydrophobicContact CD2-CG 4.44Å; F110-M114 HydrophobicContact CE1-CG 3.81Å; F110-M114 HydrophobicContact CE2-CG 4.06Å; F110-M114 HydrophobicContact CE2-SD 4.28Å; F110-M114 HydrophobicContact CZ-CG 3.74Å; F110-M114 HydrophobicContact CZ-SD 4.01Å; F110-M114 WeakPolarHBondContact O-CG 3.38Å; F110-M114 PolarHBondContact O-N 3.13Å; M114-M116 VanDerWaalsContact C-N 3.33Å; M114-M116 PolarHBondContact O-N 3.44Å; M114-Q117 PolarHBondContact O-N 3.45Å; M114-I118 WeakPolarHBondContact O-CD1 3.38Å; M114-I118 WeakPolarHBondContact O-CG1 3.47Å; M114-I118 PolarHBondContact O-N 2.86Å
115	H	82.6	Confident	79.7	Confident	32 Å²	32	50.7 Å²	50.7	15%	0.148	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-39	177.2	-178.1	69.2	0	0	0	113	F45 L111 T112 I113 K119	F45-H115 AromaticContact CG-CE1 3.76Å; L111-H115 WeakPolarHBondContact O-CB 3.48Å; L111-H115 PolarHBondContact O-N 2.77Å; T112-H115 PolarHBondContact O-N 3.49Å; I113-H115 VanDerWaalsContact C-N 3.34Å; I113-H115 PolarHBondContact O-N 2.81Å; H115-K119 WeakPolarHBondContact NE2-CE 3.35Å; H115-K119 WeakPolarHBondContact O-CG 3.28Å; H115-K119 PolarHBondContact O-N 2.91Å
116	M	80.5	Confident	78.8	Confident	61 Å²	61	55.4 Å²	55.4	30%	0.3	27%	0.274	S	S	.	.	H	α-helix	trans	-67.7	-41.1	175.5	-72.7	-179.9	61	0	0	111.6	T112 I113 M114 K119 Q120	T112-M116 HydrophobicContact CG2-SD 4.28Å; T112-M116 WeakPolarHBondContact O-CG 3.27Å; T112-M116 PolarHBondContact O-N 3.46Å; I113-M116 PolarHBondContact O-N 2.92Å; M114-M116 VanDerWaalsContact C-N 3.33Å; M114-M116 PolarHBondContact O-N 3.44Å; M116-K119 PolarHBondContact O-N 2.99Å; M116-Q120 PolarHBondContact O-N 2.74Å
117	Q	82.5	Confident	78	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-50.4	176.7	-174.6	67.2	20.3	0	0	111.1	M78 A83 P85 E89 H93 I113 M114 K119 Q120 E121	M78-Q117 HydrophobicContact CE-CB 3.52Å; M78-Q117 HydrophobicContact CE-CG 3.47Å; M78-Q117 VanDerWaalsContact CE-CG 3.47Å; A83-Q117 HydrophobicContact CB-CG 4.22Å; P85-Q117 HydrophobicContact CB-CG 4.41Å; E89-Q117 PolarHBondContact OE1-NE2 3.19Å; E89-Q117 PolarHBondContact OE2-NE2 3.45Å; H93-Q117 PolarHBondContact NE2-OE1 3.3Å; I113-Q117 WeakPolarHBondContact O-CB 3.44Å; I113-Q117 PolarHBondContact O-N 3.48Å; M114-Q117 PolarHBondContact O-N 3.45Å; Q117-K119 PolarHBondContact O-N 3.24Å; Q117-K119 VanDerWaalsContact O-N 3.12Å; Q117-Q120 CarbonylContact O-C 3.56Å; Q117-Q120 WeakPolarHBondContact O-CA 3.31Å; Q117-Q120 PolarHBondContact O-N 3.28Å; Q117-E121 PolarHBondContact NE2-OE2 3.36Å; Q117-E121 VanDerWaalsContact O-CB 3.31Å; Q117-E121 WeakPolarHBondContact O-CB 3.39Å; Q117-E121 PolarHBondContact O-N 3.12Å
118	I	75.6	Confident	77.6	Confident	77 Å²	77	54.3 Å²	54.3	40%	0.395	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-30.2	-179.4	-65.6	159.6	0	0	0	111.7	Y54 M114	Y54-I118 VanDerWaalsContact OH-CD1 3.24Å; Y54-I118 WeakPolarHBondContact OH-CD1 3.39Å; M114-I118 WeakPolarHBondContact O-CD1 3.38Å; M114-I118 WeakPolarHBondContact O-CG1 3.47Å; M114-I118 PolarHBondContact O-N 2.86Å
119	K	69.4	Low	77.1	Confident	139 Å²	139	56.1 Å²	56.1	60%	0.604	28%	0.275	S	S	*	.	H	α-helix	trans	-78.2	-28	174	-76.3	-174.1	169.6	-169.1	0	114.3	H115 M116 Q117	H115-K119 WeakPolarHBondContact NE2-CE 3.35Å; H115-K119 WeakPolarHBondContact O-CG 3.28Å; H115-K119 PolarHBondContact O-N 2.91Å; M116-K119 PolarHBondContact O-N 2.99Å; Q117-K119 PolarHBondContact O-N 3.24Å; Q117-K119 VanDerWaalsContact O-N 3.12Å
120	Q	67.1	Low	76.7	Confident	79 Å²	79	54.9 Å²	54.9	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-81	-43.3	176.4	-79.4	-176.1	-0.7	0	0	110.9	M116 Q117 D122	M116-Q120 PolarHBondContact O-N 2.74Å; Q117-Q120 CarbonylContact O-C 3.56Å; Q117-Q120 WeakPolarHBondContact O-CA 3.31Å; Q117-Q120 PolarHBondContact O-N 3.28Å; Q120-D122 PolarHBondContact O-N 3.08Å
121	E	64.9	Low	76.3	Confident	63 Å²	63	54.9 Å²	54.9	29%	0.294	27%	0.268	S	S	.	.			trans	-77.4	48.7	177.2	-153.1	175.5	120.9	0	0	111	S84 Q117 P123	S84-E121 VanDerWaalsContact N-CD 3.26Å; S84-E121 PolarHBondContact N-OE1 3.28Å; S84-E121 PolarHBondContact N-OE2 2.88Å; Q117-E121 PolarHBondContact NE2-OE2 3.36Å; Q117-E121 VanDerWaalsContact O-CB 3.31Å; Q117-E121 WeakPolarHBondContact O-CB 3.39Å; Q117-E121 PolarHBondContact O-N 3.12Å; E121-P123 WeakPolarHBondContact O-CD 3.44Å
122	D	65.5	Low	76	Confident	72 Å²	72	58.8 Å²	58.8	39%	0.385	29%	0.288	S	S	.	.			trans	-92.6	82.9	159.8	-168.1	-85.2	0	0	0	106.6	Q120 K124 K125 E126	Q120-D122 PolarHBondContact O-N 3.08Å; D122-K124 PolarHBondContact O-N 3.14Å; D122-K124 WeakPolarHBondContact OD1-CB 3.33Å; D122-K125 HydrophobicContact CB-CB 4.18Å; D122-K125 PolarHBondContact O-N 3.3Å; D122-K125 VanDerWaalsContact OD1-CB 3.25Å; D122-K125 WeakPolarHBondContact OD1-CB 3.37Å; D122-K125 PolarHBondContact OD1-N 2.91Å; D122-E126 PolarHBondContact O-N 3.11Å
123	P	65	Low	75.6	Confident	60 Å²	60	61.6 Å²	61.6	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-57.7	-26.5	-175.8	23	-35	0	0	0	111.4	E121 K125 I127	E121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-K125 PolarHBondContact O-N 3.05Å; P123-I127 HydrophobicContact CB-CD1 4.48Å; P123-I127 WeakPolarHBondContact O-CB 3.49Å; P123-I127 WeakPolarHBondContact O-CD1 3.37Å; P123-I127 WeakPolarHBondContact O-CG1 3.42Å; P123-I127 PolarHBondContact O-N 2.69Å
124	K	68	Low	75.3	Confident	94 Å²	94	62.8 Å²	62.8	41%	0.409	31%	0.31	S	S	.	.	H	α-helix	trans	-56.2	-51.6	172.5	-59.9	-176.1	173.1	-177.7	0	111	D122 L128 I184 T188	D122-K124 PolarHBondContact O-N 3.14Å; D122-K124 WeakPolarHBondContact OD1-CB 3.33Å; K124-L128 WeakPolarHBondContact O-CB 3.3Å; K124-L128 PolarHBondContact O-N 3.06Å; K124-I184 HydrophobicContact CB-CG2 4.47Å; K124-I184 HydrophobicContact CD-CG2 4.32Å; K124-I184 HydrophobicContact CG-CG2 4.12Å; K124-T188 HydrophobicContact CB-CG2 4.49Å; K124-T188 HydrophobicContact CD-CG2 3.79Å; K124-T188 WeakPolarHBondContact CE-OG1 2.78Å; K124-T188 HydrophobicContact CG-CG2 3.19Å; K124-T188 PolarHBondContact NZ-OG1 3.16Å
125	K	70.9	Confident	75.3	Confident	149 Å²	149	63.2 Å²	63.2	65%	0.648	31%	0.312	S	S	*	.	H	α-helix	trans	-66.6	-44.7	-174.4	-174.5	-179.7	177.1	-174.7	0	112.1	D122 P123 L129	D122-K125 HydrophobicContact CB-CB 4.18Å; D122-K125 PolarHBondContact O-N 3.3Å; D122-K125 VanDerWaalsContact OD1-CB 3.25Å; D122-K125 WeakPolarHBondContact OD1-CB 3.37Å; D122-K125 PolarHBondContact OD1-N 2.91Å; P123-K125 PolarHBondContact O-N 3.05Å; K125-L129 VanDerWaalsContact O-CB 3.32Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 PolarHBondContact O-N 3.02Å
126	E	72.2	Confident	75.2	Confident	101 Å²	101	70.7 Å²	70.7	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-46.7	178.4	-72.1	-107.6	99.2	0	0	111.2	D122 L129 A130	D122-E126 PolarHBondContact O-N 3.11Å; E126-L129 PolarHBondContact O-N 3.3Å; E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.05Å
127	I	73.5	Confident	75.4	Confident	13 Å²	13	74.5 Å²	74.5	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-42.8	179.6	-73.2	166.1	0	0	0	110.9	P123 L129 A130 M131 L151 L166 F183 I184 I187	P123-I127 HydrophobicContact CB-CD1 4.48Å; P123-I127 WeakPolarHBondContact O-CB 3.49Å; P123-I127 WeakPolarHBondContact O-CD1 3.37Å; P123-I127 WeakPolarHBondContact O-CG1 3.42Å; P123-I127 PolarHBondContact O-N 2.69Å; I127-L129 VanDerWaalsContact C-N 3.29Å; I127-L129 PolarHBondContact O-N 3.38Å; I127-A130 PolarHBondContact O-N 2.86Å; I127-M131 HydrophobicContact CG2-CG 4.25Å; I127-M131 HydrophobicContact CG2-SD 4.03Å; I127-M131 WeakPolarHBondContact O-CB 3.39Å; I127-M131 WeakPolarHBondContact O-CG 3.26Å; I127-M131 PolarHBondContact O-N 3.48Å; I127-L151 HydrophobicContact CG1-CD2 4.21Å; I127-L166 HydrophobicContact CD1-CD2 4.33Å; I127-F183 HydrophobicContact CD1-CE1 4.26Å; I127-F183 HydrophobicContact CG2-CD1 3.53Å; I127-F183 HydrophobicContact CG2-CE1 3.38Å; I127-I184 HydrophobicContact CB-CD1 4.2Å; I127-I184 HydrophobicContact CG2-CD1 3.72Å; I127-I187 HydrophobicContact CB-CD1 4.13Å; I127-I187 HydrophobicContact CD1-CD1 3.26Å; I127-I187 HydrophobicContact CG1-CD1 4.25Å; I127-I187 HydrophobicContact CG2-CD1 4Å
128	L	77.9	Confident	75.3	Confident	74 Å²	74	83.3 Å²	83.3	39%	0.387	40%	0.4	S	S	.	.	H	α-helix	trans	-59.7	-42.1	175.4	-176.5	66.5	0	0	0	111.1	K124 M131 L132 Y180 I184	K124-L128 WeakPolarHBondContact O-CB 3.3Å; K124-L128 PolarHBondContact O-N 3.06Å; L128-M131 PolarHBondContact O-N 3.07Å; L128-L132 HydrophobicContact CD1-CG 4.48Å; L128-L132 HydrophobicContact CG-CD1 4.03Å; L128-L132 HydrophobicContact CG-CG 4.43Å; L128-L132 WeakPolarHBondContact O-CB 3.35Å; L128-L132 VanDerWaalsContact O-CG 3.22Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 2.84Å; L128-Y180 HydrophobicContact CD1-CD1 4.28Å; L128-I184 HydrophobicContact CB-CD1 4.47Å
129	L	77.4	Confident	75.7	Confident	82 Å²	82	84.4 Å²	84.4	43%	0.429	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-46.8	175.6	-170.3	106.1	0	0	0	111.2	K125 E126 I127 M131 L132 M133 L154	K125-L129 VanDerWaalsContact O-CB 3.32Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 PolarHBondContact O-N 3.02Å; E126-L129 PolarHBondContact O-N 3.3Å; I127-L129 VanDerWaalsContact C-N 3.29Å; I127-L129 PolarHBondContact O-N 3.38Å; L129-M131 VanDerWaalsContact C-N 3.28Å; L129-M131 PolarHBondContact O-N 3.49Å; L129-L132 PolarHBondContact O-N 2.99Å; L129-M133 HydrophobicContact CD2-SD 3.95Å; L129-M133 HydrophobicContact CG-SD 4.21Å; L129-M133 WeakPolarHBondContact O-CB 3.43Å; L129-M133 VanDerWaalsContact O-CG 3.27Å; L129-M133 WeakPolarHBondContact O-CG 3.02Å; L129-M133 PolarHBondContact O-N 2.68Å; L129-L154 HydrophobicContact CD2-CD1 4Å; L129-L154 HydrophobicContact CD2-CD2 3.95Å
130	A	79.7	Confident	76.3	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-58.6	-41.7	176.8	0	0	0	0	0	111.7	E126 I127 M133 A134 L147 K150 L151	E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.05Å; I127-A130 PolarHBondContact O-N 2.86Å; A130-M133 PolarHBondContact O-N 3.1Å; A130-A134 PolarHBondContact O-N 2.74Å; A130-A134 VanDerWaalsContact O-N 3.13Å; A130-L147 HydrophobicContact CB-CD1 4.48Å; A130-K150 HydrophobicContact CB-CB 4.24Å; A130-L151 HydrophobicContact CB-CD2 4Å
131	M	79.9	Confident	77.2	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-70.7	-42.1	178.5	-62.7	179.6	130.3	0	0	112.4	I127 L128 L129 M133 A134 D135 I142 L147 V178 Y180 F183	I127-M131 HydrophobicContact CG2-CG 4.25Å; I127-M131 HydrophobicContact CG2-SD 4.03Å; I127-M131 WeakPolarHBondContact O-CB 3.39Å; I127-M131 WeakPolarHBondContact O-CG 3.26Å; I127-M131 PolarHBondContact O-N 3.48Å; L128-M131 PolarHBondContact O-N 3.07Å; L129-M131 VanDerWaalsContact C-N 3.28Å; L129-M131 PolarHBondContact O-N 3.49Å; M131-M133 VanDerWaalsContact C-N 3.27Å; M131-M133 PolarHBondContact O-N 2.92Å; M131-A134 PolarHBondContact O-N 3.43Å; M131-D135 PolarHBondContact O-N 2.93Å; M131-I142 HydrophobicContact CB-CD1 3.93Å; M131-I142 HydrophobicContact CE-CD1 4.3Å; M131-I142 HydrophobicContact CE-CG1 4.43Å; M131-I142 HydrophobicContact CG-CD1 3.69Å; M131-L147 HydrophobicContact CE-CD2 3.85Å; M131-L147 HydrophobicContact CG-CD1 3.86Å; M131-V178 HydrophobicContact CE-CB 4.18Å; M131-V178 HydrophobicContact CE-CG1 3.35Å; M131-Y180 HydrophobicContact CB-CD1 3.68Å; M131-Y180 HydrophobicContact CB-CE1 3.24Å; M131-Y180 HydrophobicContact CG-CD1 4.24Å; M131-Y180 HydrophobicContact CG-CE1 4.23Å; M131-Y180 HydrophobicContact SD-CD1 3.51Å; M131-Y180 VanDerWaalsContact SD-CD1 3.51Å; M131-Y180 HydrophobicContact SD-CE1 4.09Å; M131-Y180 HydrophobicContact SD-CG 4.41Å; M131-F183 HydrophobicContact CE-CB 3.79Å; M131-F183 HydrophobicContact CE-CD1 3.39Å; M131-F183 HydrophobicContact CE-CE1 4.23Å; M131-F183 HydrophobicContact CE-CG 3.88Å; M131-F183 HydrophobicContact SD-CD1 4.09Å
132	L	81.8	Confident	78.4	Confident	102 Å²	102	76.6 Å²	76.6	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-34.9	174.3	-75.1	170.4	0	0	0	112.3	L128 L129 A134	L128-L132 HydrophobicContact CD1-CG 4.48Å; L128-L132 HydrophobicContact CG-CD1 4.03Å; L128-L132 HydrophobicContact CG-CG 4.43Å; L128-L132 WeakPolarHBondContact O-CB 3.35Å; L128-L132 VanDerWaalsContact O-CG 3.22Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 2.84Å; L129-L132 PolarHBondContact O-N 2.99Å; L132-A134 VanDerWaalsContact C-N 3.32Å
133	M	79.4	Confident	79.5	Confident	94 Å²	94	76.2 Å²	76.2	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-74.1	-23	175.1	-70.7	-180	76.6	0	0	113.1	L129 A130 M131 L154	L129-M133 HydrophobicContact CD2-SD 3.95Å; L129-M133 HydrophobicContact CG-SD 4.21Å; L129-M133 WeakPolarHBondContact O-CB 3.43Å; L129-M133 VanDerWaalsContact O-CG 3.27Å; L129-M133 WeakPolarHBondContact O-CG 3.02Å; L129-M133 PolarHBondContact O-N 2.68Å; A130-M133 PolarHBondContact O-N 3.1Å; M131-M133 VanDerWaalsContact C-N 3.27Å; M131-M133 PolarHBondContact O-N 2.92Å; M133-L154 HydrophobicContact CE-CD1 4.1Å; M133-L154 HydrophobicContact SD-CD1 3.34Å; M133-L154 WeakPolarHBondContact SD-CD1 3.47Å
134	A	82.3	Confident	80.5	Confident	25 Å²	25	73.4 Å²	73.4	21%	0.207	35%	0.353	C	S	.	.	H	α-helix	trans	-84.2	-43	175.6	0	0	0	0	0	112.1	A130 M131 L132 K136 I142 K150	A130-A134 PolarHBondContact O-N 2.74Å; A130-A134 VanDerWaalsContact O-N 3.13Å; M131-A134 PolarHBondContact O-N 3.43Å; L132-A134 VanDerWaalsContact C-N 3.32Å; A134-K136 PolarHBondContact O-N 3.41Å; A134-K136 VanDerWaalsContact O-N 3.07Å; A134-I142 HydrophobicContact CB-CB 4.39Å; A134-I142 HydrophobicContact CB-CD1 3.92Å; A134-I142 HydrophobicContact CB-CG2 3.86Å; A134-K150 HydrophobicContact CB-CG 4.01Å
135	D	86.1	Confident	81.4	Confident	10 Å²	10	71.9 Å²	71.9	5%	0.053	35%	0.354	C	S	.	.			trans	-86.7	70	-177.5	-168.5	8.6	0	0	0	112.9	M131 E137 K138 K139 G140 I142 Y180	M131-D135 PolarHBondContact O-N 2.93Å; D135-E137 PolarHBondContact O-N 2.95Å; D135-K138 PolarHBondContact O-N 3.42Å; D135-K138 PolarHBondContact OD1-N 3.49Å; D135-K138 VanDerWaalsContact OD2-C 3.26Å; D135-K138 VanDerWaalsContact OD2-CA 3.31Å; D135-K138 WeakPolarHBondContact OD2-CA 3.44Å; D135-K139 PolarHBondContact OD1-N 3.07Å; D135-K139 PolarHBondContact OD2-N 3.39Å; D135-G140 PolarHBondContact OD2-N 3.08Å; D135-G140 VanDerWaalsContact OD2-N 3.07Å; D135-I142 HydrophobicContact CB-CG2 3.54Å; D135-Y180 WeakPolarHBondContact CB-OH 3.34Å; D135-Y180 WeakPolarHBondContact OD2-CE2 3.14Å; D135-Y180 PolarHBondContact OD2-OH 3.07Å
136	K	80.3	Confident	82.1	Confident	189 Å²	189	68.7 Å²	68.7	82%	0.822	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.3	178.7	-64.4	-179.3	179.5	178.8	0	113.5	A134	A134-K136 PolarHBondContact O-N 3.41Å; A134-K136 VanDerWaalsContact O-N 3.07Å
137	E	83.4	Confident	82.8	Confident	142 Å²	142	63.9 Å²	63.9	66%	0.664	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.6	-176.4	-66.5	172.3	78.1	0	0	112.9	D135 K139	D135-E137 PolarHBondContact O-N 2.95Å; E137-K139 VanDerWaalsContact C-N 3.29Å; E137-K139 HydrophobicContact CB-CD 4.38Å; E137-K139 HydrophobicContact CB-CG 3.89Å; E137-K139 VanDerWaalsContact CD-NZ 3.29Å; E137-K139 PolarHBondContact O-N 2.79Å; E137-K139 VanDerWaalsContact OE1-CE 3.25Å; E137-K139 WeakPolarHBondContact OE1-CE 3.31Å; E137-K139 IonicContact OE1-NZ 3.52Å; E137-K139 PolarHBondContact OE1-NZ 3.01Å; E137-K139 WeakPolarHBondContact OE2-CE 3.47Å; E137-K139 IonicContact OE2-NZ 3.6Å; E137-K139 PolarHBondContact OE2-NZ 2.79Å
138	K	80.9	Confident	83.3	Confident	185 Å²	185	66.4 Å²	66.4	80%	0.804	33%	0.33	S	S	*	.			trans	53.1	41.9	-179.2	-56.8	-177.6	179.4	-178	0	113.3	D135 G140	D135-K138 PolarHBondContact O-N 3.42Å; D135-K138 PolarHBondContact OD1-N 3.49Å; D135-K138 VanDerWaalsContact OD2-C 3.26Å; D135-K138 VanDerWaalsContact OD2-CA 3.31Å; D135-K138 WeakPolarHBondContact OD2-CA 3.44Å; K138-G140 PolarHBondContact O-N 3.1Å
139	K	84.4	Confident	83.7	Confident	100 Å²	100	65.9 Å²	65.9	44%	0.435	33%	0.333	S	S	.	.			trans	-67.4	-17.5	-178.8	-60	-177.8	-167.7	176	0	113.8	D135 E137 Y141	D135-K139 PolarHBondContact OD1-N 3.07Å; D135-K139 PolarHBondContact OD2-N 3.39Å; E137-K139 VanDerWaalsContact C-N 3.29Å; E137-K139 HydrophobicContact CB-CD 4.38Å; E137-K139 HydrophobicContact CB-CG 3.89Å; E137-K139 VanDerWaalsContact CD-NZ 3.29Å; E137-K139 PolarHBondContact O-N 2.79Å; E137-K139 VanDerWaalsContact OE1-CE 3.25Å; E137-K139 WeakPolarHBondContact OE1-CE 3.31Å; E137-K139 IonicContact OE1-NZ 3.52Å; E137-K139 PolarHBondContact OE1-NZ 3.01Å; E137-K139 WeakPolarHBondContact OE2-CE 3.47Å; E137-K139 IonicContact OE2-NZ 3.6Å; E137-K139 PolarHBondContact OE2-NZ 2.79Å; K139-Y141 VanDerWaalsContact C-N 3.33Å; K139-Y141 HydrophobicContact CB-CD1 3.94Å; K139-Y141 HydrophobicContact CB-CE1 3.73Å; K139-Y141 HydrophobicContact CD-CE1 4.43Å; K139-Y141 HydrophobicContact CD-CE2 4.44Å
140	G	82.3	Confident	83.9	Confident	36 Å²	36	65.4 Å²	65.4	37%	0.371	33%	0.327	S	S	.	.	S	Bend	trans	89.2	2.7	-173.1	0	0	0	0	0	113.2	D135 K138 Y180	D135-G140 PolarHBondContact OD2-N 3.08Å; D135-G140 VanDerWaalsContact OD2-N 3.07Å; K138-G140 PolarHBondContact O-N 3.1Å; G140-Y180 WeakPolarHBondContact O-CD2 3.27Å
141	Y	85.9	Confident	83.9	Confident	73 Å²	73	66 Å²	66	29%	0.286	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	160.2	178.3	67.7	-91.1	0	0	0	111.2	K139 K177 V178	K139-Y141 VanDerWaalsContact C-N 3.33Å; K139-Y141 HydrophobicContact CB-CD1 3.94Å; K139-Y141 HydrophobicContact CB-CE1 3.73Å; K139-Y141 HydrophobicContact CD-CE1 4.43Å; K139-Y141 HydrophobicContact CD-CE2 4.44Å; Y141-K177 HydrophobicContact CD2-CB 4.02Å; Y141-K177 HydrophobicContact CD2-CD 3.83Å; Y141-K177 HydrophobicContact CD2-CG 3.87Å; Y141-K177 HydrophobicContact CE2-CD 3.66Å; Y141-K177 HydrophobicContact CE2-CG 4Å; Y141-K177 HydrophobicContact CG-CD 4.46Å; Y141-V178 CarbonylContact C-O 3.58Å; Y141-V178 WeakPolarHBondContact CA-O 3.39Å; Y141-V178 WeakPolarHBondContact CB-O 3.16Å
142	I	88.9	Confident	83.8	Confident	7 Å²	7	67.2 Å²	67.2	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	164.6	171.8	61.2	179.9	0	0	0	110.9	M131 A134 D135 L147 V178	M131-I142 HydrophobicContact CB-CD1 3.93Å; M131-I142 HydrophobicContact CE-CD1 4.3Å; M131-I142 HydrophobicContact CE-CG1 4.43Å; M131-I142 HydrophobicContact CG-CD1 3.69Å; A134-I142 HydrophobicContact CB-CB 4.39Å; A134-I142 HydrophobicContact CB-CD1 3.92Å; A134-I142 HydrophobicContact CB-CG2 3.86Å; D135-I142 HydrophobicContact CB-CG2 3.54Å; I142-L147 HydrophobicContact CD1-CB 3.5Å; I142-L147 VanDerWaalsContact CD1-CB 3.5Å; I142-L147 HydrophobicContact CD1-CD1 3.83Å; I142-L147 HydrophobicContact CD1-CD2 4.27Å; I142-L147 HydrophobicContact CD1-CG 4.03Å; I142-L147 HydrophobicContact CG1-CB 4.17Å; I142-V178 HydrophobicContact CG1-CB 4.3Å; I142-V178 PolarHBondContact N-O 3.13Å; I142-V178 PolarHBondContact O-N 2.93Å
143	M	89.1	Confident	83.5	Confident	65 Å²	65	66 Å²	66	32%	0.32	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144	172.3	-57.7	-100.3	52.6	0	0	109.5	S145 D146 L147 N175 G176 K177	M143-S145 PolarHBondContact O-N 3.49Å; M143-D146 HydrophobicContact CB-CB 4.49Å; M143-D146 WeakPolarHBondContact CB-OD2 3.22Å; M143-D146 WeakPolarHBondContact O-CB 3.49Å; M143-D146 PolarHBondContact O-N 3.28Å; M143-L147 PolarHBondContact O-N 3.39Å; M143-N175 WeakPolarHBondContact CE-O 3.3Å; M143-G176 VanDerWaalsContact CE-O 3.25Å; M143-G176 WeakPolarHBondContact CE-O 3.5Å; M143-K177 HydrophobicContact CE-CG 3.75Å
144	A	87.1	Confident	82.9	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-55.2	-36.7	176.2	0	0	0	0	0	112.1	D146 L147 R148 F167 I172 E173 P174 G176 V178	A144-D146 PolarHBondContact O-N 3.02Å; A144-L147 PolarHBondContact O-N 3.34Å; A144-R148 VanDerWaalsContact O-CB 3.3Å; A144-R148 WeakPolarHBondContact O-CB 3.34Å; A144-R148 PolarHBondContact O-N 3.02Å; A144-F167 HydrophobicContact CB-CD2 4.26Å; A144-F167 HydrophobicContact CB-CE2 3.75Å; A144-F167 HydrophobicContact CB-CZ 4.43Å; A144-F167 VanDerWaalsContact O-CE2 3.29Å; A144-F167 WeakPolarHBondContact O-CE2 3.48Å; A144-F167 WeakPolarHBondContact O-CZ 3.38Å; A144-I172 HydrophobicContact CB-CG2 3.74Å; A144-E173 WeakPolarHBondContact CB-O 3.25Å; A144-P174 WeakPolarHBondContact CB-O 3.43Å; A144-G176 PolarHBondContact N-O 2.93Å; A144-V178 HydrophobicContact CB-CG2 3.96Å
145	S	86.2	Confident	81.9	Confident	61 Å²	61	65 Å²	65	43%	0.427	35%	0.345	S	S	.	.	H	α-helix	trans	-60.2	-40.2	173.5	54.5	0	0	0	0	113.7	M143 S149	M143-S145 PolarHBondContact O-N 3.49Å; S145-S149 PolarHBondContact O-N 2.93Å
146	D	86.4	Confident	80.9	Confident	83 Å²	83	67.6 Å²	67.6	44%	0.444	36%	0.357	S	S	.	.	H	α-helix	trans	-72.9	-42.6	179.6	-66.5	-42	0	0	0	111.1	M143 A144 R148 S149 K150	M143-D146 HydrophobicContact CB-CB 4.49Å; M143-D146 WeakPolarHBondContact CB-OD2 3.22Å; M143-D146 WeakPolarHBondContact O-CB 3.49Å; M143-D146 PolarHBondContact O-N 3.28Å; A144-D146 PolarHBondContact O-N 3.02Å; D146-R148 VanDerWaalsContact C-N 3.31Å; D146-R148 PolarHBondContact O-N 2.63Å; D146-S149 PolarHBondContact O-N 3.05Å; D146-K150 PolarHBondContact O-N 2.93Å
147	L	85.2	Confident	80.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-45.9	173.9	-177.5	50	0	0	0	110.7	A130 M131 I142 M143 A144 S149 K150 L151 F167 V178 F183	A130-L147 HydrophobicContact CB-CD1 4.48Å; M131-L147 HydrophobicContact CE-CD2 3.85Å; M131-L147 HydrophobicContact CG-CD1 3.86Å; I142-L147 HydrophobicContact CD1-CB 3.5Å; I142-L147 VanDerWaalsContact CD1-CB 3.5Å; I142-L147 HydrophobicContact CD1-CD1 3.83Å; I142-L147 HydrophobicContact CD1-CD2 4.27Å; I142-L147 HydrophobicContact CD1-CG 4.03Å; I142-L147 HydrophobicContact CG1-CB 4.17Å; M143-L147 PolarHBondContact O-N 3.39Å; A144-L147 PolarHBondContact O-N 3.34Å; L147-S149 PolarHBondContact O-N 2.94Å; L147-K150 PolarHBondContact O-N 2.76Å; L147-K150 VanDerWaalsContact O-N 3.14Å; L147-L151 HydrophobicContact CD1-CD1 3.84Å; L147-L151 HydrophobicContact CD1-CD2 4.35Å; L147-L151 HydrophobicContact CD1-CG 3.83Å; L147-L151 HydrophobicContact CG-CD1 3.85Å; L147-L151 HydrophobicContact CG-CG 4.28Å; L147-L151 WeakPolarHBondContact O-CG 2.91Å; L147-L151 PolarHBondContact O-N 2.88Å; L147-F167 HydrophobicContact CB-CZ 3.98Å; L147-F167 HydrophobicContact CD2-CE1 3.7Å; L147-F167 HydrophobicContact CD2-CZ 3.93Å; L147-F167 HydrophobicContact CG-CE1 3.99Å; L147-F167 HydrophobicContact CG-CZ 3.91Å; L147-V178 HydrophobicContact CD2-CB 4.43Å; L147-V178 HydrophobicContact CD2-CG1 4.05Å; L147-V178 HydrophobicContact CD2-CG2 4.34Å; L147-F183 HydrophobicContact CD2-CD1 4.21Å; L147-F183 HydrophobicContact CD2-CE1 3.78Å; L147-F183 HydrophobicContact CD2-CZ 4.08Å
148	R	85	Confident	79.7	Confident	66 Å²	66	61.9 Å²	61.9	25%	0.249	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-50.5	177.2	-179.9	174.8	-165.4	155.5	9.4	111.1	A144 D146 K150 L151 T152 H160 V163 D164 F167	A144-R148 VanDerWaalsContact O-CB 3.3Å; A144-R148 WeakPolarHBondContact O-CB 3.34Å; A144-R148 PolarHBondContact O-N 3.02Å; D146-R148 VanDerWaalsContact C-N 3.31Å; D146-R148 PolarHBondContact O-N 2.63Å; R148-K150 VanDerWaalsContact C-N 3.26Å; R148-K150 PolarHBondContact O-N 3.14Å; R148-L151 PolarHBondContact O-N 3.45Å; R148-T152 WeakPolarHBondContact O-CG2 3.35Å; R148-T152 PolarHBondContact O-N 2.87Å; R148-T152 PolarHBondContact O-OG1 3.34Å; R148-H160 PolarHBondContact NE-ND1 3.02Å; R148-H160 PolarHBondContact NH2-O 3.08Å; R148-V163 HydrophobicContact CB-CG1 4.05Å; R148-V163 HydrophobicContact CG-CB 4.48Å; R148-V163 HydrophobicContact CG-CG1 3.88Å; R148-D164 IonicContact CZ-OD1 3.56Å; R148-D164 IonicContact CZ-OD2 3.67Å; R148-D164 IonicContact NH1-OD1 3.14Å; R148-D164 PolarHBondContact NH1-OD1 3.31Å; R148-D164 IonicContact NH1-OD2 2.69Å; R148-D164 IonicContact NH2-OD1 2.81Å; R148-D164 PolarHBondContact NH2-OD1 3.14Å; R148-D164 VanDerWaalsContact NH2-OD1 3.14Å; R148-D164 IonicContact NH2-OD2 3.41Å; R148-D164 PolarHBondContact NH2-OD2 2.97Å; R148-F167 HydrophobicContact CB-CE2 4.15Å; R148-F167 HydrophobicContact CB-CZ 4.17Å
149	S	85.4	Confident	79.5	Confident	63 Å²	63	56.7 Å²	56.7	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-57.8	-39.4	177.7	-174	0	0	0	0	112.1	S145 D146 L147 T152 S153	S145-S149 PolarHBondContact O-N 2.93Å; D146-S149 PolarHBondContact O-N 3.05Å; L147-S149 PolarHBondContact O-N 2.94Å; S149-T152 PolarHBondContact O-OG1 2.99Å; S149-T152 VanDerWaalsContact O-OG1 3.08Å; S149-S153 WeakPolarHBondContact O-CB 3.25Å; S149-S153 PolarHBondContact O-N 3.3Å; S149-S153 PolarHBondContact O-OG 3.04Å
150	K	83.2	Confident	79.3	Confident	71 Å²	71	57.4 Å²	57.4	31%	0.309	32%	0.321	S	S	.	.	H	α-helix	trans	-70.3	-45.6	176.6	-70.9	-54.1	-179.1	-167.8	0	113.4	A130 A134 D146 L147 R148 T152 S153 L154	A130-K150 HydrophobicContact CB-CB 4.24Å; A134-K150 HydrophobicContact CB-CG 4.01Å; D146-K150 PolarHBondContact O-N 2.93Å; L147-K150 PolarHBondContact O-N 2.76Å; L147-K150 VanDerWaalsContact O-N 3.14Å; R148-K150 VanDerWaalsContact C-N 3.26Å; R148-K150 PolarHBondContact O-N 3.14Å; K150-T152 VanDerWaalsContact C-N 3.26Å; K150-T152 PolarHBondContact O-N 3.44Å; K150-S153 CarbonylContact O-C 3.59Å; K150-S153 PolarHBondContact O-N 2.81Å; K150-L154 WeakPolarHBondContact O-CB 3.1Å; K150-L154 PolarHBondContact O-N 3.38Å
151	L	78.7	Confident	79.1	Confident	13 Å²	13	62.8 Å²	62.8	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-31	178.3	-68.6	175.5	0	0	0	112.6	I127 A130 L147 R148 S153 L158 V163 L166 F167	I127-L151 HydrophobicContact CG1-CD2 4.21Å; A130-L151 HydrophobicContact CB-CD2 4Å; L147-L151 HydrophobicContact CD1-CD1 3.84Å; L147-L151 HydrophobicContact CD1-CD2 4.35Å; L147-L151 HydrophobicContact CD1-CG 3.83Å; L147-L151 HydrophobicContact CG-CD1 3.85Å; L147-L151 HydrophobicContact CG-CG 4.28Å; L147-L151 WeakPolarHBondContact O-CG 2.91Å; L147-L151 PolarHBondContact O-N 2.88Å; R148-L151 PolarHBondContact O-N 3.45Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-L158 HydrophobicContact CB-CD1 4.35Å; L151-L158 PolarHBondContact O-N 2.81Å; L151-V163 HydrophobicContact CB-CG2 3.96Å; L151-V163 HydrophobicContact CD1-CG1 4.22Å; L151-V163 HydrophobicContact CD1-CG2 4.49Å; L151-L166 HydrophobicContact CD1-CD2 4.06Å; L151-F167 HydrophobicContact CD1-CE1 4.39Å
152	T	78.8	Confident	78.7	Confident	25 Å²	25	63.7 Å²	63.7	15%	0.153	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.7	173.6	59	0	0	0	0	113.6	R148 S149 K150 K157 L158 V163	R148-T152 WeakPolarHBondContact O-CG2 3.35Å; R148-T152 PolarHBondContact O-N 2.87Å; R148-T152 PolarHBondContact O-OG1 3.34Å; S149-T152 PolarHBondContact O-OG1 2.99Å; S149-T152 VanDerWaalsContact O-OG1 3.08Å; K150-T152 VanDerWaalsContact C-N 3.26Å; K150-T152 PolarHBondContact O-N 3.44Å; T152-K157 WeakPolarHBondContact O-CD 3.37Å; T152-K157 VanDerWaalsContact O-CG 3.31Å; T152-K157 WeakPolarHBondContact O-CG 3.05Å; T152-L158 WeakPolarHBondContact CG2-O 3.37Å; T152-V163 HydrophobicContact CG2-CG2 4.08Å
153	S	74.1	Confident	78.3	Confident	78 Å²	78	63.4 Å²	63.4	55%	0.545	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-14.5	-175.7	-57.5	0	0	0	0	114.2	S149 K150 L151	S149-S153 WeakPolarHBondContact O-CB 3.25Å; S149-S153 PolarHBondContact O-N 3.3Å; S149-S153 PolarHBondContact O-OG 3.04Å; K150-S153 CarbonylContact O-C 3.59Å; K150-S153 PolarHBondContact O-N 2.81Å; L151-S153 VanDerWaalsContact C-N 3.32Å
154	L	66.4	Low	78	Confident	36 Å²	36	63.5 Å²	63.5	19%	0.188	34%	0.341	C	S	.	.	S	Bend	trans	-105.7	132.4	-173.8	-164.4	126.3	0	0	0	110.3	L129 M133 K150	L129-L154 HydrophobicContact CD2-CD1 4Å; L129-L154 HydrophobicContact CD2-CD2 3.95Å; M133-L154 HydrophobicContact CE-CD1 4.1Å; M133-L154 HydrophobicContact SD-CD1 3.34Å; M133-L154 WeakPolarHBondContact SD-CD1 3.47Å; K150-L154 WeakPolarHBondContact O-CB 3.1Å; K150-L154 PolarHBondContact O-N 3.38Å
155	G	62.8	Low	77.7	Confident	61 Å²	61	65.8 Å²	65.8	63%	0.629	35%	0.353	S	S	*	.	S	Bend	trans	62.4	-140.1	174.8	0	0	0	0	0	114.3	K157	G155-K157 PolarHBondContact O-N 2.91Å
156	E	64.3	Low	77.4	Confident	64 Å²	64	64.5 Å²	64.5	30%	0.299	34%	0.342	S	S	.	.	S	Bend	trans	-73.4	109.7	166.8	-90.1	174.9	-177.2	0	0	109.3	T86 G88 E89 R92 L158	T86-E156 WeakPolarHBondContact CB-OE2 3.47Å; T86-E156 VanDerWaalsContact CG2-OE2 3.27Å; T86-E156 WeakPolarHBondContact CG2-OE2 3.4Å; T86-E156 PolarHBondContact OG1-OE1 2.93Å; T86-E156 PolarHBondContact OG1-OE2 3.49Å; G88-E156 VanDerWaalsContact CA-OE1 3.31Å; G88-E156 WeakPolarHBondContact CA-OE1 3.34Å; E89-E156 WeakPolarHBondContact CG-OE2 3.34Å; E89-E156 PolarHBondContact N-OE1 2.95Å; E89-E156 VanDerWaalsContact N-OE1 3.16Å; R92-E156 IonicContact CZ-OE1 3.08Å; R92-E156 IonicContact NH1-OE1 3.14Å; R92-E156 PolarHBondContact NH1-OE1 3.46Å; R92-E156 VanDerWaalsContact NH1-OE1 3.08Å; R92-E156 VanDerWaalsContact NH2-CD 3.35Å; R92-E156 IonicContact NH2-OE1 2.76Å; R92-E156 PolarHBondContact NH2-OE1 3.33Å; R92-E156 IonicContact NH2-OE2 2.79Å; E156-L158 PolarHBondContact O-N 2.93Å
157	K	67.2	Low	77.3	Confident	151 Å²	151	61 Å²	61	66%	0.657	32%	0.323	S	S	*	.			trans	-63.2	113.9	-170	-57.6	178.3	-178.9	178.7	0	109.8	T152 G155 T159	T152-K157 WeakPolarHBondContact O-CD 3.37Å; T152-K157 VanDerWaalsContact O-CG 3.31Å; T152-K157 WeakPolarHBondContact O-CG 3.05Å; G155-K157 PolarHBondContact O-N 2.91Å; K157-T159 PolarHBondContact O-N 3.35Å
158	L	71.7	Confident	77.3	Confident	61 Å²	61	69.4 Å²	69.4	32%	0.319	35%	0.354	S	S	.	.			trans	-59.9	137.9	163.2	-66.4	177.4	0	0	0	108.3	L151 T152 E156 E162 V163	L151-L158 HydrophobicContact CB-CD1 4.35Å; L151-L158 PolarHBondContact O-N 2.81Å; T152-L158 WeakPolarHBondContact CG2-O 3.37Å; E156-L158 PolarHBondContact O-N 2.93Å; L158-E162 HydrophobicContact CB-CB 4.26Å; L158-E162 HydrophobicContact CD2-CB 4.24Å; L158-V163 HydrophobicContact CB-CG2 3.74Å; L158-V163 HydrophobicContact CD1-CG2 4.25Å
159	T	76.4	Confident	77	Confident	75 Å²	75	73.9 Å²	73.9	46%	0.46	38%	0.378	S	S	.	.			trans	-67.6	155.8	171.5	62.3	0	0	0	0	109.9	K157 K161 E162 V163	K157-T159 PolarHBondContact O-N 3.35Å; T159-K161 PolarHBondContact O-N 3.03Å; T159-E162 VanDerWaalsContact CB-OE2 3.3Å; T159-E162 WeakPolarHBondContact CB-OE2 3.38Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.38Å; T159-E162 PolarHBondContact N-OE2 3.37Å; T159-E162 PolarHBondContact O-N 2.89Å; T159-E162 WeakPolarHBondContact OG1-CG 3.4Å; T159-E162 PolarHBondContact OG1-N 3.44Å; T159-E162 PolarHBondContact OG1-OE2 3.03Å; T159-V163 PolarHBondContact O-N 3.47Å; T159-V163 VanDerWaalsContact O-N 3.1Å
160	H	79.3	Confident	76.6	Confident	116 Å²	116	71 Å²	71	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-51.3	-34.1	174.8	-77.8	-75	0	0	0	112.9	R148 D164	R148-H160 PolarHBondContact NE-ND1 3.02Å; R148-H160 PolarHBondContact NH2-O 3.08Å; H160-D164 VanDerWaalsContact O-CG 3.27Å; H160-D164 PolarHBondContact O-N 2.98Å; H160-D164 VanDerWaalsContact O-N 3.11Å; H160-D164 VanDerWaalsContact O-OD2 3.05Å
161	K	78.7	Confident	76.6	Confident	148 Å²	148	70.5 Å²	70.5	64%	0.643	37%	0.373	S	S	*	.	H	α-helix	trans	-70	-46.2	178	-172.4	-169.2	172	-149.9	0	112.1	T159 V163 D164 D165	T159-K161 PolarHBondContact O-N 3.03Å; K161-V163 VanDerWaalsContact C-N 3.27Å; K161-V163 PolarHBondContact O-N 3.22Å; K161-D164 PolarHBondContact O-N 3.03Å; K161-D164 VanDerWaalsContact O-N 3.14Å; K161-D165 PolarHBondContact O-N 3.46Å
162	E	77.1	Confident	76.8	Confident	93 Å²	93	71.2 Å²	71.2	44%	0.435	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-37.9	177.9	-72.9	162.7	130.2	0	0	111.6	L158 T159 D165 L166	L158-E162 HydrophobicContact CB-CB 4.26Å; L158-E162 HydrophobicContact CD2-CB 4.24Å; T159-E162 VanDerWaalsContact CB-OE2 3.3Å; T159-E162 WeakPolarHBondContact CB-OE2 3.38Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.38Å; T159-E162 PolarHBondContact N-OE2 3.37Å; T159-E162 PolarHBondContact O-N 2.89Å; T159-E162 WeakPolarHBondContact OG1-CG 3.4Å; T159-E162 PolarHBondContact OG1-N 3.44Å; T159-E162 PolarHBondContact OG1-OE2 3.03Å; E162-D165 PolarHBondContact O-N 3.45Å; E162-L166 WeakPolarHBondContact O-CB 3.31Å; E162-L166 PolarHBondContact O-N 3.06Å
163	V	81.4	Confident	77	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-67.8	-39.6	174.4	-177.8	0	0	0	0	112	R148 L151 T152 L158 T159 K161 D165 L166 F167	R148-V163 HydrophobicContact CB-CG1 4.05Å; R148-V163 HydrophobicContact CG-CB 4.48Å; R148-V163 HydrophobicContact CG-CG1 3.88Å; L151-V163 HydrophobicContact CB-CG2 3.96Å; L151-V163 HydrophobicContact CD1-CG1 4.22Å; L151-V163 HydrophobicContact CD1-CG2 4.49Å; T152-V163 HydrophobicContact CG2-CG2 4.08Å; L158-V163 HydrophobicContact CB-CG2 3.74Å; L158-V163 HydrophobicContact CD1-CG2 4.25Å; T159-V163 PolarHBondContact O-N 3.47Å; T159-V163 VanDerWaalsContact O-N 3.1Å; K161-V163 VanDerWaalsContact C-N 3.27Å; K161-V163 PolarHBondContact O-N 3.22Å; V163-D165 VanDerWaalsContact C-N 3.34Å; V163-L166 PolarHBondContact O-N 3.3Å; V163-F167 HydrophobicContact CG1-CD1 4.18Å; V163-F167 HydrophobicContact CG1-CE1 3.79Å; V163-F167 HydrophobicContact CG1-CE2 4.16Å; V163-F167 HydrophobicContact CG1-CZ 3.77Å; V163-F167 WeakPolarHBondContact O-CD1 3.45Å; V163-F167 WeakPolarHBondContact O-CG 3.29Å; V163-F167 PolarHBondContact O-N 3.46Å
164	D	83.1	Confident	77.1	Confident	67 Å²	67	78.1 Å²	78.1	36%	0.358	41%	0.407	S	S	.	.	H	α-helix	trans	-65.2	-39.2	175.4	-73.9	-36.9	0	0	0	111.5	R148 H160 K161 F167 R168	R148-D164 IonicContact CZ-OD1 3.56Å; R148-D164 IonicContact CZ-OD2 3.67Å; R148-D164 IonicContact NH1-OD1 3.14Å; R148-D164 PolarHBondContact NH1-OD1 3.31Å; R148-D164 IonicContact NH1-OD2 2.69Å; R148-D164 IonicContact NH2-OD1 2.81Å; R148-D164 PolarHBondContact NH2-OD1 3.14Å; R148-D164 VanDerWaalsContact NH2-OD1 3.14Å; R148-D164 IonicContact NH2-OD2 3.41Å; R148-D164 PolarHBondContact NH2-OD2 2.97Å; H160-D164 VanDerWaalsContact O-CG 3.27Å; H160-D164 PolarHBondContact O-N 2.98Å; H160-D164 VanDerWaalsContact O-N 3.11Å; H160-D164 VanDerWaalsContact O-OD2 3.05Å; K161-D164 PolarHBondContact O-N 3.03Å; K161-D164 VanDerWaalsContact O-N 3.14Å; D164-F167 PolarHBondContact O-N 2.85Å; D164-R168 WeakPolarHBondContact O-CB 3.21Å; D164-R168 PolarHBondContact O-N 2.84Å
165	D	81.4	Confident	77.7	Confident	49 Å²	49	83.1 Å²	83.1	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175.5	-70.7	-29.3	0	0	0	110.7	K161 E162 V163 R168 E169	K161-D165 PolarHBondContact O-N 3.46Å; E162-D165 PolarHBondContact O-N 3.45Å; V163-D165 VanDerWaalsContact C-N 3.34Å; D165-R168 PolarHBondContact O-N 3.31Å; D165-R168 IonicContact OD1-CZ 3.13Å; D165-R168 IonicContact OD1-NH1 2.78Å; D165-R168 PolarHBondContact OD1-NH1 3.46Å; D165-R168 IonicContact OD1-NH2 2.7Å; D165-R168 PolarHBondContact OD1-NH2 3.5Å; D165-E169 PolarHBondContact O-N 2.85Å
166	L	79.1	Confident	78.8	Confident	35 Å²	35	80.8 Å²	80.8	18%	0.183	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-43.5	174.7	-176.6	67.4	0	0	0	112.5	I127 L151 E162 V163 E169 A170 F183 I187	I127-L166 HydrophobicContact CD1-CD2 4.33Å; L151-L166 HydrophobicContact CD1-CD2 4.06Å; E162-L166 WeakPolarHBondContact O-CB 3.31Å; E162-L166 PolarHBondContact O-N 3.06Å; V163-L166 PolarHBondContact O-N 3.3Å; L166-E169 PolarHBondContact O-N 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.35Å; L166-A170 PolarHBondContact O-N 2.86Å; L166-F183 HydrophobicContact CD2-CZ 3.76Å; L166-F183 HydrophobicContact CG-CE2 4.34Å; L166-F183 HydrophobicContact CG-CZ 3.91Å; L166-I187 HydrophobicContact CD1-CG2 3.79Å
167	F	85	Confident	79.9	Confident	9 Å²	9	84.1 Å²	84.1	4%	0.039	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-37.8	178.1	-76.1	10.2	0	0	0	111.5	A144 L147 R148 L151 V163 D164 A170 G171 I172 F183	A144-F167 HydrophobicContact CB-CD2 4.26Å; A144-F167 HydrophobicContact CB-CE2 3.75Å; A144-F167 HydrophobicContact CB-CZ 4.43Å; A144-F167 VanDerWaalsContact O-CE2 3.29Å; A144-F167 WeakPolarHBondContact O-CE2 3.48Å; A144-F167 WeakPolarHBondContact O-CZ 3.38Å; L147-F167 HydrophobicContact CB-CZ 3.98Å; L147-F167 HydrophobicContact CD2-CE1 3.7Å; L147-F167 HydrophobicContact CD2-CZ 3.93Å; L147-F167 HydrophobicContact CG-CE1 3.99Å; L147-F167 HydrophobicContact CG-CZ 3.91Å; R148-F167 HydrophobicContact CB-CE2 4.15Å; R148-F167 HydrophobicContact CB-CZ 4.17Å; L151-F167 HydrophobicContact CD1-CE1 4.39Å; V163-F167 HydrophobicContact CG1-CD1 4.18Å; V163-F167 HydrophobicContact CG1-CE1 3.79Å; V163-F167 HydrophobicContact CG1-CE2 4.16Å; V163-F167 HydrophobicContact CG1-CZ 3.77Å; V163-F167 WeakPolarHBondContact O-CD1 3.45Å; V163-F167 WeakPolarHBondContact O-CG 3.29Å; V163-F167 PolarHBondContact O-N 3.46Å; D164-F167 PolarHBondContact O-N 2.85Å; F167-A170 CarbonylContact O-C 3.52Å; F167-A170 PolarHBondContact O-N 2.65Å; F167-G171 PolarHBondContact O-N 3Å; F167-I172 HydrophobicContact CB-CB 4.13Å; F167-I172 HydrophobicContact CB-CG2 4.47Å; F167-I172 HydrophobicContact CD1-CD1 4.23Å; F167-I172 HydrophobicContact CD2-CG2 4.14Å; F167-I172 HydrophobicContact CG-CB 4.28Å; F167-I172 HydrophobicContact CG-CG2 4.2Å; F167-I172 PolarHBondContact O-N 3.2Å; F167-F183 HydrophobicContact CD1-CE2 4.5Å; F167-F183 HydrophobicContact CD1-CZ 4.45Å; F167-F183 HydrophobicContact CE1-CZ 4.38Å
168	R	83.6	Confident	80.8	Confident	177 Å²	177	77.1 Å²	77.1	67%	0.668	39%	0.394	S	S	*	.	H	α-helix	trans	-62.6	-46.5	175.4	-176.7	175.6	67.5	-122.3	-3.2	111.3	D164 D165 A170 G171	D164-R168 WeakPolarHBondContact O-CB 3.21Å; D164-R168 PolarHBondContact O-N 2.84Å; D165-R168 PolarHBondContact O-N 3.31Å; D165-R168 IonicContact OD1-CZ 3.13Å; D165-R168 IonicContact OD1-NH1 2.78Å; D165-R168 PolarHBondContact OD1-NH1 3.46Å; D165-R168 IonicContact OD1-NH2 2.7Å; D165-R168 PolarHBondContact OD1-NH2 3.5Å; R168-A170 VanDerWaalsContact C-N 3.33Å; R168-A170 PolarHBondContact O-N 2.77Å; R168-G171 PolarHBondContact O-N 3.13Å
169	E	78.5	Confident	81.5	Confident	159 Å²	159	79 Å²	79	74%	0.743	40%	0.399	S	S	*	.	H	α-helix	trans	-63.2	-40.6	178.2	-170.8	171.4	84.2	0	0	111.9	D165 L166 G171	D165-E169 PolarHBondContact O-N 2.85Å; L166-E169 PolarHBondContact O-N 3.31Å; E169-G171 PolarHBondContact O-N 3.37Å
170	A	77.7	Confident	81.7	Confident	4 Å²	4	77.3 Å²	77.3	3%	0.033	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.4	174.3	0	0	0	0	0	114.1	L166 F167 R168 I172 F183 K186	L166-A170 WeakPolarHBondContact O-CB 3.35Å; L166-A170 PolarHBondContact O-N 2.86Å; F167-A170 CarbonylContact O-C 3.52Å; F167-A170 PolarHBondContact O-N 2.65Å; R168-A170 VanDerWaalsContact C-N 3.33Å; R168-A170 PolarHBondContact O-N 2.77Å; A170-I172 VanDerWaalsContact C-N 3.3Å; A170-I172 HydrophobicContact CB-CD1 3.9Å; A170-I172 HydrophobicContact CB-CG1 4.01Å; A170-I172 PolarHBondContact O-N 3.37Å; A170-F183 HydrophobicContact CB-CD2 3.67Å; A170-F183 HydrophobicContact CB-CE2 3.56Å; A170-K186 HydrophobicContact CB-CB 4.38Å; A170-K186 HydrophobicContact CB-CD 4.31Å; A170-K186 WeakPolarHBondContact O-CD 3.06Å; A170-K186 WeakPolarHBondContact O-CE 3.43Å; A170-K186 PolarHBondContact O-NZ 3.03Å
171	G	83	Confident	81.6	Confident	59 Å²	59	78 Å²	78	61%	0.608	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	36.5	-175.2	0	0	0	0	0	113.2	F167 R168 E169	F167-G171 PolarHBondContact O-N 3Å; R168-G171 PolarHBondContact O-N 3.13Å; E169-G171 PolarHBondContact O-N 3.37Å
172	I	84.1	Confident	81.7	Confident	29 Å²	29	75.6 Å²	75.6	15%	0.149	38%	0.383	C	S	.	.			trans	-87.3	128.6	177.2	-71	170.3	0	0	0	109.7	A144 F167 A170 V178 F183	A144-I172 HydrophobicContact CB-CG2 3.74Å; F167-I172 HydrophobicContact CB-CB 4.13Å; F167-I172 HydrophobicContact CB-CG2 4.47Å; F167-I172 HydrophobicContact CD1-CD1 4.23Å; F167-I172 HydrophobicContact CD2-CG2 4.14Å; F167-I172 HydrophobicContact CG-CB 4.28Å; F167-I172 HydrophobicContact CG-CG2 4.2Å; F167-I172 PolarHBondContact O-N 3.2Å; A170-I172 VanDerWaalsContact C-N 3.3Å; A170-I172 HydrophobicContact CB-CD1 3.9Å; A170-I172 HydrophobicContact CB-CG1 4.01Å; A170-I172 PolarHBondContact O-N 3.37Å; I172-V178 HydrophobicContact CD1-CB 4.33Å; I172-V178 HydrophobicContact CD1-CG1 3.58Å; I172-V178 HydrophobicContact CD1-CG2 3.8Å; I172-V178 HydrophobicContact CG1-CG1 4.46Å; I172-V178 HydrophobicContact CG1-CG2 4.27Å; I172-V178 HydrophobicContact CG2-CG2 3.66Å; I172-F183 HydrophobicContact CD1-CD2 3.19Å; I172-F183 HydrophobicContact CD1-CE2 3.28Å; I172-F183 HydrophobicContact CD1-CG 4.09Å; I172-F183 HydrophobicContact CD1-CZ 4.25Å; I172-F183 HydrophobicContact CG1-CD2 4.36Å
173	E	82.9	Confident	81.8	Confident	147 Å²	147	71.3 Å²	71.3	69%	0.687	36%	0.363	S	S	*	.			trans	-70.1	142.4	171.6	-63.3	-174.4	103.1	0	0	111.1	A144 N175 G176	A144-E173 WeakPolarHBondContact CB-O 3.25Å; E173-N175 PolarHBondContact O-N 3.39Å; E173-G176 PolarHBondContact O-N 3.21Å
174	P	75.9	Confident	81.6	Confident	101 Å²	101	72.8 Å²	72.8	66%	0.656	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.5	-176.3	-25.5	32.6	0	0	0	115	A144	A144-P174 WeakPolarHBondContact CB-O 3.43Å
175	N	79	Confident	81.3	Confident	141 Å²	141	74.6 Å²	74.6	75%	0.754	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	16.2	176.8	-66.4	-25.3	0	0	0	112.2	M143 E173	M143-N175 WeakPolarHBondContact CE-O 3.3Å; E173-N175 PolarHBondContact O-N 3.39Å
176	G	84.8	Confident	81	Confident	12 Å²	12	77.8 Å²	77.8	12%	0.124	39%	0.388	C	S	.	.	S	Bend	trans	-77.6	165.8	-178.5	0	0	0	0	0	113	M143 A144 E173	M143-G176 VanDerWaalsContact CE-O 3.25Å; M143-G176 WeakPolarHBondContact CE-O 3.5Å; A144-G176 PolarHBondContact N-O 2.93Å; E173-G176 PolarHBondContact O-N 3.21Å
177	K	87.2	Confident	80.6	Confident	134 Å²	134	77.4 Å²	77.4	58%	0.583	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.5	167.9	-67.4	179.4	-179.7	-177	0	108.9	Y141 M143	Y141-K177 HydrophobicContact CD2-CB 4.02Å; Y141-K177 HydrophobicContact CD2-CD 3.83Å; Y141-K177 HydrophobicContact CD2-CG 3.87Å; Y141-K177 HydrophobicContact CE2-CD 3.66Å; Y141-K177 HydrophobicContact CE2-CG 4Å; Y141-K177 HydrophobicContact CG-CD 4.46Å; M143-K177 HydrophobicContact CE-CG 3.75Å
178	V	87.2	Confident	79.7	Confident	4 Å²	4	78.6 Å²	78.6	2%	0.024	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.2	175.7	-170.2	0	0	0	0	108.3	M131 Y141 I142 A144 L147 I172 F183	M131-V178 HydrophobicContact CE-CB 4.18Å; M131-V178 HydrophobicContact CE-CG1 3.35Å; Y141-V178 CarbonylContact C-O 3.58Å; Y141-V178 WeakPolarHBondContact CA-O 3.39Å; Y141-V178 WeakPolarHBondContact CB-O 3.16Å; I142-V178 HydrophobicContact CG1-CB 4.3Å; I142-V178 PolarHBondContact N-O 3.13Å; I142-V178 PolarHBondContact O-N 2.93Å; A144-V178 HydrophobicContact CB-CG2 3.96Å; L147-V178 HydrophobicContact CD2-CB 4.43Å; L147-V178 HydrophobicContact CD2-CG1 4.05Å; L147-V178 HydrophobicContact CD2-CG2 4.34Å; I172-V178 HydrophobicContact CD1-CB 4.33Å; I172-V178 HydrophobicContact CD1-CG1 3.58Å; I172-V178 HydrophobicContact CD1-CG2 3.8Å; I172-V178 HydrophobicContact CG1-CG1 4.46Å; I172-V178 HydrophobicContact CG1-CG2 4.27Å; I172-V178 HydrophobicContact CG2-CG2 3.66Å; V178-F183 HydrophobicContact CG1-CB 3.62Å; V178-F183 HydrophobicContact CG1-CD1 4.3Å; V178-F183 HydrophobicContact CG1-CD2 4.17Å; V178-F183 HydrophobicContact CG1-CG 3.78Å
179	K	85.9	Confident	78.5	Confident	100 Å²	100	74.9 Å²	74.9	44%	0.435	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	143.2	172.3	-62.3	-175.5	-153.7	147.1	0	110.1	D181 E182 F183	K179-D181 PolarHBondContact O-N 2.94Å; K179-E182 HydrophobicContact CB-CB 4.35Å; K179-E182 HydrophobicContact CB-CG 4.4Å; K179-E182 WeakPolarHBondContact CD-OE2 3.5Å; K179-E182 IonicContact NZ-OE1 3.42Å; K179-E182 PolarHBondContact NZ-OE1 3.29Å; K179-E182 IonicContact NZ-OE2 2.67Å; K179-F183 WeakPolarHBondContact O-CB 3.36Å; K179-F183 PolarHBondContact O-N 3.07Å
180	Y	80.8	Confident	77.2	Confident	39 Å²	39	72.5 Å²	72.5	15%	0.153	39%	0.385	C	S	.	.	H	α-helix	trans	-55.9	-55.5	-178.7	-62.9	-79.4	0	0	0	113	L128 M131 D135 G140 E182 F183 I184	L128-Y180 HydrophobicContact CD1-CD1 4.28Å; M131-Y180 HydrophobicContact CB-CD1 3.68Å; M131-Y180 HydrophobicContact CB-CE1 3.24Å; M131-Y180 HydrophobicContact CG-CD1 4.24Å; M131-Y180 HydrophobicContact CG-CE1 4.23Å; M131-Y180 HydrophobicContact SD-CD1 3.51Å; M131-Y180 VanDerWaalsContact SD-CD1 3.51Å; M131-Y180 HydrophobicContact SD-CE1 4.09Å; M131-Y180 HydrophobicContact SD-CG 4.41Å; D135-Y180 WeakPolarHBondContact CB-OH 3.34Å; D135-Y180 WeakPolarHBondContact OD2-CE2 3.14Å; D135-Y180 PolarHBondContact OD2-OH 3.07Å; G140-Y180 WeakPolarHBondContact O-CD2 3.27Å; Y180-E182 PolarHBondContact O-N 3.06Å; Y180-F183 PolarHBondContact O-N 2.66Å; Y180-I184 WeakPolarHBondContact O-CB 3.18Å; Y180-I184 WeakPolarHBondContact O-CG1 3.49Å; Y180-I184 PolarHBondContact O-N 3.37Å
181	D	77.8	Confident	75.7	Confident	131 Å²	131	75.2 Å²	75.2	70%	0.701	41%	0.414	S	S	*	.	H	α-helix	trans	-63.2	-46.8	-171.7	-166.6	-99.8	0	0	0	111.1	K179 F183 H185	K179-D181 PolarHBondContact O-N 2.94Å; D181-F183 PolarHBondContact O-N 2.84Å; D181-H185 WeakPolarHBondContact O-CB 3.22Å; D181-H185 PolarHBondContact O-N 2.67Å
182	E	80.3	Confident	73.6	Confident	97 Å²	97	80.9 Å²	80.9	45%	0.453	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-43.6	178.1	-68.6	173.6	174.7	0	0	111.9	K179 Y180 K186	K179-E182 HydrophobicContact CB-CB 4.35Å; K179-E182 HydrophobicContact CB-CG 4.4Å; K179-E182 WeakPolarHBondContact CD-OE2 3.5Å; K179-E182 IonicContact NZ-OE1 3.42Å; K179-E182 PolarHBondContact NZ-OE1 3.29Å; K179-E182 IonicContact NZ-OE2 2.67Å; Y180-E182 PolarHBondContact O-N 3.06Å; E182-K186 WeakPolarHBondContact O-CB 3.35Å; E182-K186 VanDerWaalsContact O-CG 3.26Å; E182-K186 WeakPolarHBondContact O-CG 3.27Å; E182-K186 PolarHBondContact O-N 3.42Å; E182-K186 VanDerWaalsContact O-N 3.1Å
183	F	79.6	Confident	71.5	Confident	4 Å²	4	87.5 Å²	87.5	2%	0.018	46%	0.46	C	S	.	.	H	α-helix	trans	-69.6	-50.8	-179	-172.3	-124	0	0	0	111.7	I127 M131 L147 L166 F167 A170 I172 V178 K179 Y180 D181 H185 K186 I187	I127-F183 HydrophobicContact CD1-CE1 4.26Å; I127-F183 HydrophobicContact CG2-CD1 3.53Å; I127-F183 HydrophobicContact CG2-CE1 3.38Å; M131-F183 HydrophobicContact CE-CB 3.79Å; M131-F183 HydrophobicContact CE-CD1 3.39Å; M131-F183 HydrophobicContact CE-CE1 4.23Å; M131-F183 HydrophobicContact CE-CG 3.88Å; M131-F183 HydrophobicContact SD-CD1 4.09Å; L147-F183 HydrophobicContact CD2-CD1 4.21Å; L147-F183 HydrophobicContact CD2-CE1 3.78Å; L147-F183 HydrophobicContact CD2-CZ 4.08Å; L166-F183 HydrophobicContact CD2-CZ 3.76Å; L166-F183 HydrophobicContact CG-CE2 4.34Å; L166-F183 HydrophobicContact CG-CZ 3.91Å; F167-F183 HydrophobicContact CD1-CE2 4.5Å; F167-F183 HydrophobicContact CD1-CZ 4.45Å; F167-F183 HydrophobicContact CE1-CZ 4.38Å; A170-F183 HydrophobicContact CB-CD2 3.67Å; A170-F183 HydrophobicContact CB-CE2 3.56Å; I172-F183 HydrophobicContact CD1-CD2 3.19Å; I172-F183 HydrophobicContact CD1-CE2 3.28Å; I172-F183 HydrophobicContact CD1-CG 4.09Å; I172-F183 HydrophobicContact CD1-CZ 4.25Å; I172-F183 HydrophobicContact CG1-CD2 4.36Å; V178-F183 HydrophobicContact CG1-CB 3.62Å; V178-F183 HydrophobicContact CG1-CD1 4.3Å; V178-F183 HydrophobicContact CG1-CD2 4.17Å; V178-F183 HydrophobicContact CG1-CG 3.78Å; K179-F183 WeakPolarHBondContact O-CB 3.36Å; K179-F183 PolarHBondContact O-N 3.07Å; Y180-F183 PolarHBondContact O-N 2.66Å; D181-F183 PolarHBondContact O-N 2.84Å; F183-H185 VanDerWaalsContact C-N 3.27Å; F183-H185 PolarHBondContact O-N 2.88Å; F183-K186 PolarHBondContact O-N 3.33Å; F183-K186 VanDerWaalsContact O-N 3.13Å; F183-I187 HydrophobicContact CD1-CD1 4.43Å; F183-I187 HydrophobicContact CD2-CG2 3.97Å; F183-I187 HydrophobicContact CE1-CD1 4.41Å; F183-I187 HydrophobicContact CE1-CG2 4.29Å; F183-I187 HydrophobicContact CE2-CG2 3.69Å; F183-I187 HydrophobicContact CG-CG2 4.45Å; F183-I187 HydrophobicContact CZ-CG2 3.88Å; F183-I187 VanDerWaalsContact O-CG1 3.31Å; F183-I187 WeakPolarHBondContact O-CG1 3.45Å; F183-I187 WeakPolarHBondContact O-CG2 3.43Å; F183-I187 PolarHBondContact O-N 3.05Å
184	I	77.1	Confident	69.2	Low	30 Å²	30	94 Å²	94	15%	0.154	48%	0.48	C	S	.	.	H	α-helix	trans	-58.3	-42	179.1	-65.2	-64	0	0	0	110.6	K124 I127 L128 Y180 I187 T188	K124-I184 HydrophobicContact CB-CG2 4.47Å; K124-I184 HydrophobicContact CD-CG2 4.32Å; K124-I184 HydrophobicContact CG-CG2 4.12Å; I127-I184 HydrophobicContact CB-CD1 4.2Å; I127-I184 HydrophobicContact CG2-CD1 3.72Å; L128-I184 HydrophobicContact CB-CD1 4.47Å; Y180-I184 WeakPolarHBondContact O-CB 3.18Å; Y180-I184 WeakPolarHBondContact O-CG1 3.49Å; Y180-I184 PolarHBondContact O-N 3.37Å; I184-I187 HydrophobicContact CD1-CD1 3.96Å; I184-I187 VanDerWaalsContact O-CG1 3.27Å; I184-I187 WeakPolarHBondContact O-CG1 3.32Å; I184-T188 WeakPolarHBondContact O-CB 3.08Å; I184-T188 WeakPolarHBondContact O-CG2 3.21Å; I184-T188 PolarHBondContact O-N 3.06Å; I184-T188 PolarHBondContact O-OG1 3.35Å
185	H	75.9	Confident	68.9	Low	105 Å²	105	93.6 Å²	93.6	49%	0.486	47%	0.472	S	S	.	.	H	α-helix	trans	-62.6	-44.8	177.6	-168.5	-176.2	0	0	0	111.4	D181 F183 T188 L189	D181-H185 WeakPolarHBondContact O-CB 3.22Å; D181-H185 PolarHBondContact O-N 2.67Å; F183-H185 VanDerWaalsContact C-N 3.27Å; F183-H185 PolarHBondContact O-N 2.88Å; H185-T188 PolarHBondContact O-N 2.9Å; H185-L189 WeakPolarHBondContact CD2-CD1 3.31Å; H185-L189 WeakPolarHBondContact NE2-CD1 3.25Å; H185-L189 WeakPolarHBondContact O-CG 3.45Å; H185-L189 PolarHBondContact O-N 3.36Å; H185-L189 VanDerWaalsContact O-N 3.08Å
186	K	76.4	Confident	68.4	Low	116 Å²	116	91.1 Å²	91.1	50%	0.504	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-38.7	-179.8	-75.9	-174	177.6	-147.8	0	114.3	A170 E182 F183 T188	A170-K186 HydrophobicContact CB-CB 4.38Å; A170-K186 HydrophobicContact CB-CD 4.31Å; A170-K186 WeakPolarHBondContact O-CD 3.06Å; A170-K186 WeakPolarHBondContact O-CE 3.43Å; A170-K186 PolarHBondContact O-NZ 3.03Å; E182-K186 WeakPolarHBondContact O-CB 3.35Å; E182-K186 VanDerWaalsContact O-CG 3.26Å; E182-K186 WeakPolarHBondContact O-CG 3.27Å; E182-K186 PolarHBondContact O-N 3.42Å; E182-K186 VanDerWaalsContact O-N 3.1Å; F183-K186 PolarHBondContact O-N 3.33Å; F183-K186 VanDerWaalsContact O-N 3.13Å; K186-T188 VanDerWaalsContact C-N 3.28Å; K186-T188 PolarHBondContact O-N 2.87Å
187	I	70.8	Confident	67.4	Low	27 Å²	27	95.5 Å²	95.5	14%	0.138	48%	0.475	C	S	.	.	H	α-helix	trans	-80	-8.7	-178.9	64.1	171.1	0	0	0	113.4	I127 L166 F183 I184	I127-I187 HydrophobicContact CB-CD1 4.13Å; I127-I187 HydrophobicContact CD1-CD1 3.26Å; I127-I187 HydrophobicContact CG1-CD1 4.25Å; I127-I187 HydrophobicContact CG2-CD1 4Å; L166-I187 HydrophobicContact CD1-CG2 3.79Å; F183-I187 HydrophobicContact CD1-CD1 4.43Å; F183-I187 HydrophobicContact CD2-CG2 3.97Å; F183-I187 HydrophobicContact CE1-CD1 4.41Å; F183-I187 HydrophobicContact CE1-CG2 4.29Å; F183-I187 HydrophobicContact CE2-CG2 3.69Å; F183-I187 HydrophobicContact CG-CG2 4.45Å; F183-I187 HydrophobicContact CZ-CG2 3.88Å; F183-I187 VanDerWaalsContact O-CG1 3.31Å; F183-I187 WeakPolarHBondContact O-CG1 3.45Å; F183-I187 WeakPolarHBondContact O-CG2 3.43Å; F183-I187 PolarHBondContact O-N 3.05Å; I184-I187 HydrophobicContact CD1-CD1 3.96Å; I184-I187 VanDerWaalsContact O-CG1 3.27Å; I184-I187 WeakPolarHBondContact O-CG1 3.32Å
188	T	65.7	Low	66.3	Low	35 Å²	35	93.2 Å²	93.2	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-124.4	-6.6	-173.1	63.2	0	0	0	0	115.7	K124 I184 H185 K186 P190	K124-T188 HydrophobicContact CB-CG2 4.49Å; K124-T188 HydrophobicContact CD-CG2 3.79Å; K124-T188 WeakPolarHBondContact CE-OG1 2.78Å; K124-T188 HydrophobicContact CG-CG2 3.19Å; K124-T188 PolarHBondContact NZ-OG1 3.16Å; I184-T188 WeakPolarHBondContact O-CB 3.08Å; I184-T188 WeakPolarHBondContact O-CG2 3.21Å; I184-T188 PolarHBondContact O-N 3.06Å; I184-T188 PolarHBondContact O-OG1 3.35Å; H185-T188 PolarHBondContact O-N 2.9Å; K186-T188 VanDerWaalsContact C-N 3.28Å; K186-T188 PolarHBondContact O-N 2.87Å; T188-P190 WeakPolarHBondContact O-CD 2.95Å
189	L	59	Low	65	Low	98 Å²	98	98.8 Å²	98.8	51%	0.513	50%	0.497	S	S	.	.	S	Bend	trans	-72.7	123	154.3	-69.1	174	0	0	0	106.7	H185 G191	H185-L189 WeakPolarHBondContact CD2-CD1 3.31Å; H185-L189 WeakPolarHBondContact NE2-CD1 3.25Å; H185-L189 WeakPolarHBondContact O-CG 3.45Å; H185-L189 PolarHBondContact O-N 3.36Å; H185-L189 VanDerWaalsContact O-N 3.08Å; L189-G191 PolarHBondContact O-N 3.43Å
190	P	50.5	Low	63.6	Low	109 Å²	109	98.7 Å²	98.7	71%	0.708	50%	0.501	S	S	*	.			trans	-54.1	129.8	162.7	25.3	-30.9	0	0	0	106	T188 Q192	T188-P190 WeakPolarHBondContact O-CD 2.95Å; P190-Q192 PolarHBondContact O-N 3.45Å
191	G	46.6	Very low	62.4	Low	61 Å²	61	103 Å²	103	63%	0.629	53%	0.526	S	S	*	.			trans	-44.8	123.7	174.2	0	0	0	0	0	107.9	L189 D193	L189-G191 PolarHBondContact O-N 3.43Å; G191-D193 PolarHBondContact O-N 3.34Å
192	Q	38.5	Very low	61.2	Low	179 Å²	179	100.8 Å²	100.8	84%	0.836	51%	0.512	S	S	*	.			trans	-67.5	84.6	165.6	-78.9	-165.4	-17.6	0	0	106	P190 Y194	P190-Q192 PolarHBondContact O-N 3.45Å; Q192-Y194 PolarHBondContact O-N 3.27Å; Q192-Y194 VanDerWaalsContact O-N 3.12Å
193	D	40.2	Very low	59.6	Low	167 Å²	167	101.2 Å²	101.2	89%	0.893	52%	0.517	S	S	*	.			trans	-62.5	104.9	155.7	-81.6	-74.2	0	0	0	105.9	G191	G191-D193 PolarHBondContact O-N 3.34Å
194	Y	34.7	Very low	57.8	Low	283 Å²	283	110 Å²	110	100%	1.11	56%	0.562	S	S	*	*			trans	-111.2	0	173.4	-149	-76.8	0	0	0	109.1	Q192	Q192-Y194 PolarHBondContact O-N 3.27Å; Q192-Y194 VanDerWaalsContact O-N 3.12Å

Retrieved 194 of 194 residues in 73.4 ms (Link to these results)

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