A0A096NHI8_PAPAN Loading...

Protein CutA

AlphaFold DB (A0A2K5XNT7), UniProt , Accession A0A096NHI8, Species PAPAN (Papio anubis, Olive baboon), Gene CUTA, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	42.7	Very low	240 Å²	240	152.2 Å²	152.2	100%	1.182	85%	0.853	S	S	*	*				0	83	0	-68.9	145.5	112.5	0	0	106.6
2	S	37.3	Very low	42	Very low	104 Å²	104	145.8 Å²	145.8	73%	0.727	85%	0.846	S	S	*	*				48.2	124.1	88.3	171.3	0	0	0	0	111.5
3	R	39	Very low	41.6	Very low	244 Å²	244	140.2 Å²	140.2	92%	0.921	84%	0.84	S	S	*	*			cis	-171.2	149.3	1.5	-92	166.5	178.2	178.3	-0.6	100.8
4	G	36.5	Very low	41.5	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	84%	0.843	S	S	*	*			cis	126.7	136.5	36.5	0	0	0	0	0	108.8
5	R	39.1	Very low	41.1	Very low	242 Å²	242	137.1 Å²	137.1	91%	0.913	84%	0.835	S	S	*	*			trans	66.5	107.7	153.2	-75.4	178.4	169.1	173.6	-4.7	121
6	A	38.1	Very low	41.1	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	83%	0.83	S	S	*	*				46.3	156	92.1	0	0	0	0	0	120.5
7	P	62.2	Low	41	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	82%	0.823	S	S	*	*			trans	-100.2	176.1	-146.1	42.2	-38.4	0	0	0	114.5
8	A	42.4	Very low	41.5	Very low	101 Å²	101	137.7 Å²	137.7	84%	0.835	83%	0.829	S	S	*	*			trans	-157.2	126.2	160.7	0	0	0	0	0	113.8
9	V	45.4	Very low	41.4	Very low	121 Å²	121	137.2 Å²	137.2	73%	0.733	82%	0.821	S	S	*	*			trans	-64.1	150.2	159.7	171.9	0	0	0	0	110.2	L11	V9-L11 HydrophobicContact CG1-CD1 4.47Å
10	L	41	Very low	41.9	Very low	170 Å²	170	136.4 Å²	136.4	89%	0.89	82%	0.822	S	S	*	*			trans	-167.1	127.9	140.9	-106.4	141.9	0	0	0	113.6
11	L	42	Very low	42	Very low	157 Å²	157	138.9 Å²	138.9	82%	0.822	82%	0.822	S	S	*	*			trans	-65.3	157.8	165.7	-73.2	86.3	0	0	0	111.9	V9	V9-L11 HydrophobicContact CG1-CD1 4.47Å
12	G	35	Very low	42.5	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	81%	0.807	S	S	*	*			trans	168.9	109.3	153.9	0	0	0	0	0	115.2
13	G	36.7	Very low	42.3	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	81%	0.812	S	S	*	*			trans	-62.4	169.2	147.9	0	0	0	0	0	109.8
14	V	40.5	Very low	42.3	Very low	146 Å²	146	135.1 Å²	135.1	89%	0.885	80%	0.803	S	S	*	*				-170.9	152.3	61.1	178.7	0	0	0	0	109
15	A	34.8	Very low	43.1	Very low	88 Å²	88	136.5 Å²	136.5	73%	0.727	80%	0.798	S	S	*	*			trans	-15.3	147.2	166.3	0	0	0	0	0	123.4
16	S	40.7	Very low	43.4	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	80%	0.795	S	S	*	*			trans	-176.6	113.9	130.2	-88.7	0	0	0	0	110.4
17	L	40.3	Very low	44.2	Very low	135 Å²	135	132.9 Å²	132.9	71%	0.707	80%	0.797	S	S	*	*				73.6	99.2	97.2	-90	149.4	0	0	0	114.4	L19	L17-L19 HydrophobicContact CD2-CD1 3.93Å
18	L	49.1	Very low	43.7	Very low	179 Å²	179	134.6 Å²	134.6	94%	0.937	80%	0.798	S	S	*	*			trans	-143.5	111.6	139.2	-81.8	-177.8	0	0	0	110
19	L	40.7	Very low	43.9	Very low	128 Å²	128	135 Å²	135	67%	0.67	79%	0.793	S	S	*	*			trans	-70.9	140	168.9	-78.1	124.4	0	0	0	110.6	L17 F21	L17-L19 HydrophobicContact CD2-CD1 3.93Å; L19-F21 HydrophobicContact CD2-CD2 4.45Å
20	S	51.8	Low	44.2	Very low	121 Å²	121	136.4 Å²	136.4	85%	0.846	80%	0.801	S	S	*	*			trans	-155.6	89.9	143.7	-64.1	0	0	0	0	109.1
21	F	43.5	Very low	44.3	Very low	189 Å²	189	132.5 Å²	132.5	83%	0.829	79%	0.793	S	S	*	*			trans	-72.3	121.8	159.4	-95.1	-93.2	0	0	0	108.6	L19	L19-F21 HydrophobicContact CD2-CD2 4.45Å
22	V	55.8	Low	44.6	Very low	141 Å²	141	130.3 Å²	130.3	86%	0.855	79%	0.791	S	S	*	*			trans	-129.6	99.4	151.5	-179.8	0	0	0	0	108.6
23	W	33.7	Very low	45.2	Very low	223 Å²	223	137.8 Å²	137.8	85%	0.845	80%	0.796	S	S	*	*			trans	-56	134	156.1	-157	25.5	0	0	0	108.2
24	M	39.4	Very low	45.6	Very low	146 Å²	146	140.9 Å²	140.9	72%	0.719	79%	0.794	S	S	*	*				170.2	176.8	82.9	-124.9	174.1	84.3	0	0	109.3
25	P	54	Low	46.3	Very low	100 Å²	100	142.3 Å²	142.3	65%	0.649	80%	0.796	S	S	*	*				-108.6	163.1	-127.6	34.1	-14.6	0	0	0	114.2
26	A	44.4	Very low	47.1	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	80%	0.796	S	S	*	*			trans	-123.6	97.3	165.7	0	0	0	0	0	109.8
27	L	53.9	Low	47.6	Very low	159 Å²	159	147.2 Å²	147.2	83%	0.832	80%	0.8	S	S	*	*			trans	-51.3	138.6	152.9	-76.7	135.5	0	0	0	109.8
28	L	52.4	Low	47.7	Very low	164 Å²	164	146 Å²	146	86%	0.859	80%	0.8	S	S	*	*			trans	171.8	154.8	145.1	-94.2	165.3	0	0	0	109.3
29	P	46.3	Very low	47.8	Very low	110 Å²	110	149.7 Å²	149.7	71%	0.714	80%	0.802	S	S	*	*				-118	153.8	-85.2	31.8	-15.6	0	0	0	113.6	A31	P29-A31 PolarHBondContact O-N 3.01Å
30	V	51.5	Low	47.9	Very low	150 Å²	150	147.6 Å²	147.6	91%	0.909	80%	0.803	S	S	*	*			trans	-66.7	109.6	159.9	174	0	0	0	0	108.2
31	A	44	Very low	47.6	Very low	88 Å²	88	149.8 Å²	149.8	73%	0.727	80%	0.804	S	S	*	*			trans	179.1	136.9	143.5	0	0	0	0	0	111.4	P29	P29-A31 PolarHBondContact O-N 3.01Å
32	S	47.6	Very low	47.7	Very low	111 Å²	111	148.4 Å²	148.4	78%	0.776	81%	0.805	S	S	*	*			trans	79.7	94.8	154.2	-148.2	0	0	0	0	116.5
33	R	47.5	Very low	47.4	Very low	233 Å²	233	147.8 Å²	147.8	88%	0.879	80%	0.801	S	S	*	*				-179.9	144.3	126.7	-97.3	158.7	-169.1	-96.2	1.7	111.1
34	L	45.4	Very low	48	Very low	138 Å²	138	145.3 Å²	145.3	72%	0.723	80%	0.801	S	S	*	*			trans	80.8	69.3	173.5	-77.6	77.4	0	0	0	117.8	L36	L34-L36 HydrophobicContact CD2-CD1 4.26Å; L34-L36 HydrophobicContact CG-CD1 4.28Å; L34-L36 PolarHBondContact O-N 3.15Å
35	L	55.5	Low	48.2	Very low	177 Å²	177	143.7 Å²	143.7	93%	0.927	81%	0.811	S	S	*	*			trans	-60.9	86.2	130.1	-82	161	0	0	0	109.1
36	L	52.2	Low	47.9	Very low	138 Å²	138	144.2 Å²	144.2	72%	0.723	82%	0.817	S	S	*	*			trans	-146.9	71.8	162.6	-88.4	167.3	0	0	0	107.2	L34 P38	L34-L36 HydrophobicContact CD2-CD1 4.26Å; L34-L36 HydrophobicContact CG-CD1 4.28Å; L34-L36 PolarHBondContact O-N 3.15Å; L36-P38 WeakPolarHBondContact O-CD 3.49Å
37	L	51	Low	47.7	Very low	160 Å²	160	142.7 Å²	142.7	84%	0.838	81%	0.811	S	S	*	*			trans	-62.5	124.1	162.9	-76.2	164.1	0	0	0	107.4	R39	L37-R39 PolarHBondContact O-N 2.8Å
38	P	42.2	Very low	47.3	Very low	108 Å²	108	140 Å²	140	70%	0.701	81%	0.806	S	S	*	*			trans	-59.6	125.2	168.8	-16.8	29.5	0	0	0	107.9	L36 A40	L36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-A40 PolarHBondContact O-N 2.85Å
39	R	50.3	Low	47.1	Very low	257 Å²	257	137.3 Å²	137.3	97%	0.97	80%	0.798	S	S	*	*	S	Bend	trans	-72.6	53.7	174.5	-158.8	179	173.7	171.4	-1.7	110.5	L37	L37-R39 PolarHBondContact O-N 2.8Å
40	A	43.6	Very low	47.5	Very low	84 Å²	84	137.7 Å²	137.7	69%	0.694	80%	0.8	S	S	*	*			trans	-124.3	28.4	-179.5	0	0	0	0	0	111.4	P38 L42	P38-A40 PolarHBondContact O-N 2.85Å; A40-L42 VanDerWaalsContact C-N 3.34Å
41	L	45.2	Very low	47	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	80%	0.796	S	S	*	*	S	Bend	trans	-101.8	40.4	167.1	-152.9	87.3	0	0	0	111.1
42	L	45.8	Very low	47.3	Very low	161 Å²	161	140.2 Å²	140.2	84%	0.843	80%	0.796	S	S	*	*	S	Bend	trans	-156.2	87.8	173.3	-127.6	109.1	0	0	0	107.1	A40	A40-L42 VanDerWaalsContact C-N 3.34Å
43	T	49.6	Very low	47.3	Very low	128 Å²	128	138.7 Å²	138.7	79%	0.785	78%	0.784	S	S	*	*	S	Bend	trans	168.8	129.1	148	-66.8	0	0	0	0	107.4
44	M	45.8	Very low	47.2	Very low	171 Å²	171	132.6 Å²	132.6	84%	0.842	78%	0.777	S	S	*	*			trans	90.9	49.8	177.3	-46.1	-46.5	-137	0	0	118.8
45	A	44	Very low	47.2	Very low	112 Å²	112	132 Å²	132	93%	0.926	78%	0.782	S	S	*	*			trans	-111.3	63.5	140	0	0	0	0	0	108.5
46	S	47.3	Very low	46.8	Very low	111 Å²	111	127.6 Å²	127.6	78%	0.776	77%	0.771	S	S	*	*			trans	-124.6	31.2	175.1	-174.1	0	0	0	0	111.6
47	G	41.7	Very low	46.6	Very low	69 Å²	69	127 Å²	127	71%	0.711	78%	0.778	S	S	*	*			trans	-105.3	95	157.1	0	0	0	0	0	107
48	S	45.2	Very low	46.5	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-53.7	135.6	163.8	-55.9	0	0	0	0	107.7
49	P	48	Very low	47	Very low	107 Å²	107	125.1 Å²	125.1	70%	0.695	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-52	145	165.9	22.6	-30.8	0	0	0	108.1	T51	P49-T51 PolarHBondContact O-N 3.34Å
50	P	53.4	Low	47.1	Very low	117 Å²	117	116.2 Å²	116.2	76%	0.76	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-50.1	119	179.2	20.6	-31.4	0	0	0	107.9	Q52	P50-Q52 PolarHBondContact O-N 2.56Å
51	T	42.8	Very low	48.1	Very low	133 Å²	133	114.8 Å²	114.8	82%	0.816	75%	0.746	S	S	*	*			trans	-56.7	105.6	-173.9	-28	0	0	0	0	107.1	P49 P53	P49-T51 PolarHBondContact O-N 3.34Å; T51-P53 WeakPolarHBondContact O-CD 3.33Å
52	Q	48.7	Very low	49.9	Very low	158 Å²	158	109.8 Å²	109.8	74%	0.738	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58	123.6	169.9	-71.2	-87.3	-57.9	0	0	105.5	P50 S54	P50-Q52 PolarHBondContact O-N 2.56Å; Q52-S54 PolarHBondContact O-N 3.17Å; Q52-S54 VanDerWaalsContact O-N 3.12Å
53	P	48	Very low	52.2	Low	79 Å²	79	104.2 Å²	104.2	51%	0.513	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-54.6	125.8	173.9	19.6	-28.3	0	0	0	108	T51	T51-P53 WeakPolarHBondContact O-CD 3.33Å
54	S	46.3	Very low	54.5	Low	106 Å²	106	102.6 Å²	102.6	74%	0.741	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-54.6	144	173.7	-59.7	0	0	0	0	108.9	Q52 A56	Q52-S54 PolarHBondContact O-N 3.17Å; Q52-S54 VanDerWaalsContact O-N 3.12Å; S54-A56 VanDerWaalsContact C-N 3.3Å; S54-A56 PolarHBondContact O-N 2.96Å
55	P	45.1	Very low	57	Low	125 Å²	125	98.3 Å²	98.3	81%	0.812	68%	0.677	S	S	*	*			trans	-67.1	95.9	-178.4	27.9	-31.7	0	0	0	107.8	S57	P55-S57 PolarHBondContact O-N 2.67Å; P55-S57 VanDerWaalsContact O-N 3.14Å
56	A	46.1	Very low	59.5	Low	85 Å²	85	94 Å²	94	70%	0.702	64%	0.644	S	S	*	*			trans	-57	119.5	159.5	0	0	0	0	0	105.6	S54 D58	S54-A56 VanDerWaalsContact C-N 3.3Å; S54-A56 PolarHBondContact O-N 2.96Å; A56-D58 PolarHBondContact O-N 3.44Å
57	S	49.3	Very low	62	Low	125 Å²	125	90.9 Å²	90.9	87%	0.874	62%	0.622	S	S	*	*			trans	-58.8	90.3	167.2	51.3	0	0	0	0	108.1	P55	P55-S57 PolarHBondContact O-N 2.67Å; P55-S57 VanDerWaalsContact O-N 3.14Å
58	D	48.3	Very low	64.7	Low	107 Å²	107	87.8 Å²	87.8	57%	0.572	59%	0.589	S	S	*	*			trans	-122.1	90.7	173	-158	27.6	0	0	0	109.2	A56 G60	A56-D58 PolarHBondContact O-N 3.44Å; D58-G60 VanDerWaalsContact C-N 3.33Å; D58-G60 PolarHBondContact O-N 3.35Å; D58-G60 VanDerWaalsContact O-N 3.09Å
59	S	52.6	Low	67.2	Low	122 Å²	122	83.2 Å²	83.2	85%	0.853	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	91.3	158.8	48.7	0	0	0	0	108.4
60	G	52.9	Low	69.7	Low	70 Å²	70	78.7 Å²	78.7	72%	0.722	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.9	-24.9	168.2	0	0	0	0	0	120.6	D58	D58-G60 VanDerWaalsContact C-N 3.33Å; D58-G60 PolarHBondContact O-N 3.35Å; D58-G60 VanDerWaalsContact O-N 3.09Å
61	S	63.8	Low	71.8	Confident	54 Å²	54	73.1 Å²	73.1	38%	0.378	49%	0.492	S	S	.	.			trans	-98.3	99.3	175.1	59.2	0	0	0	0	109.8	F158	S61-F158 WeakPolarHBondContact O-CE2 3.44Å; S61-F158 WeakPolarHBondContact O-CZ 3.37Å; S61-F158 WeakPolarHBondContact OG-CZ 3.41Å
62	G	83.3	Confident	74.5	Confident	62 Å²	62	68.9 Å²	68.9	64%	0.639	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-66.2	152.2	167.5	0	0	0	0	0	110.6
63	Y	94.7	Very high	76.9	Confident	44 Å²	44	61.3 Å²	61.3	17%	0.173	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-65.4	134.2	163.9	174.3	-114.4	0	0	0	109.2	P65 S67 V68 V153 E154 L161	Y63-P65 WeakPolarHBondContact O-CD 3.46Å; Y63-S67 WeakPolarHBondContact CE2-OG 3.2Å; Y63-V68 HydrophobicContact CE2-CB 4.18Å; Y63-V68 HydrophobicContact CE2-CG2 4Å; Y63-V68 PolarHBondContact OH-N 3.08Å; Y63-V68 VanDerWaalsContact OH-N 3.14Å; Y63-V153 VanDerWaalsContact CE1-O 3.28Å; Y63-V153 WeakPolarHBondContact CE1-O 3.34Å; Y63-V153 VanDerWaalsContact CZ-O 3.32Å; Y63-V153 PolarHBondContact OH-O 3.19Å; Y63-E154 WeakPolarHBondContact CE1-O 3.35Å; Y63-L161 HydrophobicContact CD1-CD1 3.84Å; Y63-L161 HydrophobicContact CD2-CB 3.78Å; Y63-L161 HydrophobicContact CD2-CD1 3.58Å; Y63-L161 HydrophobicContact CD2-CG 4.19Å; Y63-L161 HydrophobicContact CE1-CD1 3.99Å; Y63-L161 HydrophobicContact CE2-CB 4Å; Y63-L161 HydrophobicContact CE2-CD1 3.75Å; Y63-L161 HydrophobicContact CE2-CD2 4.17Å; Y63-L161 HydrophobicContact CE2-CG 4.18Å; Y63-L161 HydrophobicContact CG-CD1 3.63Å
64	V	97.1	Very high	79.3	Confident	94 Å²	94	57.9 Å²	57.9	57%	0.57	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-88.2	116.3	172.2	178.2	0	0	0	0	107.9	G66 S67	V64-G66 PolarHBondContact O-N 3.32Å; V64-S67 WeakPolarHBondContact O-CB 3.36Å; V64-S67 PolarHBondContact O-N 2.83Å; V64-S67 PolarHBondContact O-OG 2.89Å
65	P	98.2	Very high	81.8	Confident	81 Å²	81	52.9 Å²	52.9	53%	0.526	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	135.9	177.9	-26.4	35.6	0	0	0	111.8	Y63 S67 E154	Y63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-S67 PolarHBondContact O-N 2.54Å; P65-E154 WeakPolarHBondContact CB-OE2 3.43Å
66	G	97.8	Very high	84.3	Confident	21 Å²	21	48.4 Å²	48.4	22%	0.216	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	4.1	-176.8	0	0	0	0	0	115.6	V64 V68 S127 V153	V64-G66 PolarHBondContact O-N 3.32Å; G66-V68 VanDerWaalsContact C-N 3.32Å; G66-S127 WeakPolarHBondContact O-CB 3.46Å; G66-S127 PolarHBondContact O-OG 3.06Å; G66-V153 PolarHBondContact N-O 2.57Å
67	S	98.1	Very high	86.8	Confident	46 Å²	46	47.7 Å²	47.7	32%	0.322	33%	0.325	S	S	.	.	S	Bend	trans	-75.1	-19.6	175.4	64.5	0	0	0	0	114.1	Y63 V64 P65 S127	Y63-S67 WeakPolarHBondContact CE2-OG 3.2Å; V64-S67 WeakPolarHBondContact O-CB 3.36Å; V64-S67 PolarHBondContact O-N 2.83Å; V64-S67 PolarHBondContact O-OG 2.89Å; P65-S67 PolarHBondContact O-N 2.54Å; S67-S127 VanDerWaalsContact C-OG 3.31Å; S67-S127 PolarHBondContact O-N 3.18Å; S67-S127 PolarHBondContact O-OG 2.9Å
68	V	98.7	Very high	89.1	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.6	168.4	170.3	0	0	0	0	108.9	Y63 G66 T125 S127 V153 L161 V164	Y63-V68 HydrophobicContact CE2-CB 4.18Å; Y63-V68 HydrophobicContact CE2-CG2 4Å; Y63-V68 PolarHBondContact OH-N 3.08Å; Y63-V68 VanDerWaalsContact OH-N 3.14Å; G66-V68 VanDerWaalsContact C-N 3.32Å; V68-T125 WeakPolarHBondContact CA-O 3.44Å; V68-T125 WeakPolarHBondContact CG1-O 3.42Å; V68-S127 PolarHBondContact N-OG 2.85Å; V68-S127 PolarHBondContact O-OG 3.41Å; V68-V153 HydrophobicContact CB-CB 4.34Å; V68-V153 HydrophobicContact CG1-CB 4.36Å; V68-V153 HydrophobicContact CG1-CG2 4.04Å; V68-V153 WeakPolarHBondContact O-CB 3.4Å; V68-V153 PolarHBondContact O-N 3.09Å; V68-L161 HydrophobicContact CB-CD2 4.16Å; V68-L161 HydrophobicContact CG1-CD2 4.11Å; V68-L161 HydrophobicContact CG2-CD2 4.21Å; V68-V164 HydrophobicContact CG1-CG1 4.06Å; V68-V164 HydrophobicContact CG2-CB 4.39Å; V68-V164 HydrophobicContact CG2-CG1 3.98Å
69	S	98.9	Very high	91.5	Very high	9 Å²	9	48 Å²	48	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.9	175.3	-73.7	0	0	0	0	111.6	T125 S127 L151	S69-T125 PolarHBondContact N-O 2.9Å; S69-T125 PolarHBondContact O-N 3.38Å; S69-S127 PolarHBondContact N-OG 2.93Å; S69-S127 WeakPolarHBondContact OG-CB 3.28Å; S69-S127 PolarHBondContact OG-OG 3.38Å; S69-L151 CarbonylContact C-O 3.59Å; S69-L151 VanDerWaalsContact CA-O 3.29Å; S69-L151 WeakPolarHBondContact CA-O 3.42Å
70	A	98.9	Very high	93.7	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.7	162.2	0	0	0	0	0	108.3	M122 I123 L151	A70-M122 HydrophobicContact CB-CE 3.83Å; A70-I123 CarbonylContact C-O 3.58Å; A70-I123 WeakPolarHBondContact CA-O 3.5Å; A70-L151 PolarHBondContact N-O 3.29Å; A70-L151 PolarHBondContact O-N 3.16Å
71	A	98.9	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.5	174.6	0	0	0	0	0	111.1	M122 I123 L133 I149 A150	A71-M122 CarbonylContact O-C 3.54Å; A71-M122 WeakPolarHBondContact O-CA 3.43Å; A71-I123 HydrophobicContact CB-CB 4.29Å; A71-I123 PolarHBondContact N-O 2.65Å; A71-I123 PolarHBondContact O-N 3.16Å; A71-L133 HydrophobicContact CB-CD2 4.06Å; A71-I149 CarbonylContact C-O 3.54Å; A71-I149 WeakPolarHBondContact CA-O 3.03Å; A71-A150 HydrophobicContact CB-CB 4.17Å
72	F	98.9	Very high	97.6	Very high	44 Å²	44	41.1 Å²	41.1	19%	0.193	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.9	175	-66.8	-87.9	0	0	0	109.6	L120 M121 M122 V148 I149 L151	F72-L120 HydrophobicContact CB-CD1 4.16Å; F72-L120 HydrophobicContact CD1-CD1 4.11Å; F72-L120 HydrophobicContact CD1-CD2 3.99Å; F72-L120 HydrophobicContact CD1-CG 4.12Å; F72-L120 HydrophobicContact CE1-CD2 4.43Å; F72-M121 VanDerWaalsContact CA-O 3.27Å; F72-M121 WeakPolarHBondContact CA-O 3.42Å; F72-M122 HydrophobicContact CD1-CB 4.34Å; F72-M122 HydrophobicContact CD1-CG 4.45Å; F72-M122 HydrophobicContact CE1-CB 4.04Å; F72-M122 HydrophobicContact CE1-CG 3.84Å; F72-M122 HydrophobicContact CZ-CE 4.49Å; F72-M122 HydrophobicContact CZ-CG 4.03Å; F72-V148 WeakPolarHBondContact O-CA 3.47Å; F72-I149 HydrophobicContact CB-CD1 4.38Å; F72-I149 HydrophobicContact CB-CG1 3.84Å; F72-I149 PolarHBondContact N-O 2.96Å; F72-I149 PolarHBondContact O-N 3.46Å; F72-L151 HydrophobicContact CD2-CD1 4.45Å; F72-L151 HydrophobicContact CE2-CD1 3.84Å; F72-L151 HydrophobicContact CE2-CG 4.35Å
73	V	98.9	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.6	178.3	-179.3	0	0	0	0	108.4	M121 I123 V137 E147 V148	V73-M121 HydrophobicContact CB-CB 4.18Å; V73-M121 HydrophobicContact CB-SD 4.28Å; V73-M121 HydrophobicContact CG1-SD 4.25Å; V73-M121 PolarHBondContact N-O 3.34Å; V73-M121 VanDerWaalsContact N-O 3.08Å; V73-M121 WeakPolarHBondContact O-CB 3.18Å; V73-M121 PolarHBondContact O-N 3.03Å; V73-I123 HydrophobicContact CB-CD1 4.41Å; V73-I123 HydrophobicContact CG2-CD1 3.75Å; V73-V137 HydrophobicContact CG1-CG1 3.91Å; V73-E147 WeakPolarHBondContact CA-O 3.31Å; V73-E147 WeakPolarHBondContact CG1-O 3.31Å; V73-V148 HydrophobicContact CG2-CB 4.36Å; V73-V148 HydrophobicContact CG2-CG1 4.03Å; V73-V148 HydrophobicContact CG2-CG2 4.02Å
74	T	98.6	Very high	98.5	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	143.2	172.1	47.3	0	0	0	0	110.4	I103 E118 L120 H141 E147	T74-I103 HydrophobicContact CG2-CD1 4.06Å; T74-E118 WeakPolarHBondContact CB-OE2 3.42Å; T74-L120 HydrophobicContact CG2-CD1 3.77Å; T74-H141 PolarHBondContact O-NE2 3.47Å; T74-E147 WeakPolarHBondContact CG2-OE2 3.43Å; T74-E147 VanDerWaalsContact OG1-CB 3.23Å; T74-E147 WeakPolarHBondContact OG1-CB 3.33Å; T74-E147 PolarHBondContact OG1-OE2 2.89Å
75	C	98.6	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.1	-179	-77.7	0	0	0	0	110.8	N77 A81 E118 V119 M121 H141	C75-N77 PolarHBondContact O-N 3.49Å; C75-N77 VanDerWaalsContact O-N 3.15Å; C75-A81 HydrophobicContact CB-CB 3.84Å; C75-E118 WeakPolarHBondContact O-CA 3.23Å; C75-E118 WeakPolarHBondContact O-CB 3.43Å; C75-V119 PolarHBondContact N-O 3.43Å; C75-V119 PolarHBondContact O-N 2.98Å; C75-M121 PolarHBondContact SG-SD 2.84Å; C75-H141 PolarHBondContact SG-NE2 3.43Å
76	P	98.2	Very high	98.6	Very high	32 Å²	32	41 Å²	41	21%	0.208	20%	0.204	C	C	.	.	S	Bend	trans	-67.3	-20.6	-173.8	24.1	-34.4	0	0	0	114.3	V80 P142 Y143	P76-V80 HydrophobicContact CG-CB 4.36Å; P76-V80 HydrophobicContact CG-CG1 4.38Å; P76-V80 HydrophobicContact CG-CG2 4.25Å; P76-P142 HydrophobicContact CG-CB 4.4Å; P76-P142 HydrophobicContact CG-CG 4.02Å; P76-Y143 WeakPolarHBondContact CA-OH 3.43Å; P76-Y143 HydrophobicContact CB-CE1 3.86Å; P76-Y143 WeakPolarHBondContact CB-OH 3.48Å; P76-Y143 HydrophobicContact CG-CE1 4.13Å
77	N	98.5	Very high	98.7	Very high	70 Å²	70	41 Å²	41	37%	0.374	20%	0.202	S	C	.	.	S	Bend	trans	-165.9	168	178.6	56.6	74.1	0	0	0	111.7	C75 K79 V80 A81	C75-N77 PolarHBondContact O-N 3.49Å; C75-N77 VanDerWaalsContact O-N 3.15Å; N77-K79 VanDerWaalsContact C-N 3.3Å; N77-K79 PolarHBondContact O-N 3.29Å; N77-K79 WeakPolarHBondContact OD1-CB 3.48Å; N77-K79 PolarHBondContact OD1-N 3.02Å; N77-K79 VanDerWaalsContact OD1-N 3.16Å; N77-V80 PolarHBondContact O-N 3.42Å; N77-V80 WeakPolarHBondContact OD1-CG2 3.48Å; N77-V80 PolarHBondContact OD1-N 2.9Å; N77-A81 WeakPolarHBondContact O-CB 3.46Å; N77-A81 PolarHBondContact O-N 3.36Å; N77-A81 VanDerWaalsContact O-N 3.07Å
78	E	98.4	Very high	98.7	Very high	94 Å²	94	38.8 Å²	38.8	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-31.2	-177.8	-167.1	-176.8	178.3	0	0	113.5	K82 V119	E78-K82 VanDerWaalsContact CD-NZ 3.32Å; E78-K82 HydrophobicContact CG-CD 4.16Å; E78-K82 HydrophobicContact CG-CG 4.44Å; E78-K82 WeakPolarHBondContact O-CB 3.23Å; E78-K82 VanDerWaalsContact O-CG 3.29Å; E78-K82 WeakPolarHBondContact O-CG 3.4Å; E78-K82 PolarHBondContact O-N 3.46Å; E78-K82 WeakPolarHBondContact OE1-CE 3.32Å; E78-K82 IonicContact OE1-NZ 3.44Å; E78-K82 PolarHBondContact OE1-NZ 2.85Å; E78-V119 HydrophobicContact CB-CG2 4.17Å
79	K	98.6	Very high	98.7	Very high	144 Å²	144	41.6 Å²	41.6	63%	0.626	20%	0.203	S	C	*	.	H	α-helix	trans	-64.9	-53	178.8	179.2	-175.5	171.8	-172.9	0	110.3	N77 A81 K82 E83	N77-K79 VanDerWaalsContact C-N 3.3Å; N77-K79 PolarHBondContact O-N 3.29Å; N77-K79 WeakPolarHBondContact OD1-CB 3.48Å; N77-K79 PolarHBondContact OD1-N 3.02Å; N77-K79 VanDerWaalsContact OD1-N 3.16Å; K79-A81 VanDerWaalsContact C-N 3.35Å; K79-A81 PolarHBondContact O-N 2.88Å; K79-K82 PolarHBondContact O-N 3.3Å; K79-E83 WeakPolarHBondContact CE-OE1 3.36Å; K79-E83 WeakPolarHBondContact CG-OE1 3.47Å; K79-E83 WeakPolarHBondContact O-CG 3.21Å; K79-E83 PolarHBondContact O-N 3.14Å
80	V	98.5	Very high	98.7	Very high	21 Å²	21	48.4 Å²	48.4	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-46.4	177.3	173.1	0	0	0	0	110.5	P76 N77 K82 E83 I84 P142	P76-V80 HydrophobicContact CG-CB 4.36Å; P76-V80 HydrophobicContact CG-CG1 4.38Å; P76-V80 HydrophobicContact CG-CG2 4.25Å; N77-V80 PolarHBondContact O-N 3.42Å; N77-V80 WeakPolarHBondContact OD1-CG2 3.48Å; N77-V80 PolarHBondContact OD1-N 2.9Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 2.88Å; V80-E83 PolarHBondContact O-N 3.27Å; V80-E83 VanDerWaalsContact O-N 3.17Å; V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 HydrophobicContact CG1-CG1 4.36Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 2.83Å; V80-P142 HydrophobicContact CG1-CG 3.92Å; V80-P142 HydrophobicContact CG2-CG 4.1Å
81	A	98.8	Very high	98.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-41.3	179.2	0	0	0	0	0	112.4	C75 N77 K79 A85 L99 V119 M121	C75-A81 HydrophobicContact CB-CB 3.84Å; N77-A81 WeakPolarHBondContact O-CB 3.46Å; N77-A81 PolarHBondContact O-N 3.36Å; N77-A81 VanDerWaalsContact O-N 3.07Å; K79-A81 VanDerWaalsContact C-N 3.35Å; K79-A81 PolarHBondContact O-N 2.88Å; A81-A85 WeakPolarHBondContact O-CB 3.47Å; A81-A85 PolarHBondContact O-N 3.46Å; A81-L99 HydrophobicContact CB-CD1 4.42Å; A81-L99 HydrophobicContact CB-CD2 3.92Å; A81-V119 HydrophobicContact CB-CB 4.08Å; A81-V119 HydrophobicContact CB-CG1 3.79Å; A81-M121 HydrophobicContact CB-CG 4.22Å; A81-M121 HydrophobicContact CB-SD 4.28Å
82	K	98.8	Very high	98.6	Very high	81 Å²	81	58.7 Å²	58.7	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.6	-78	176	-179.7	166.8	0	112.9	E78 K79 V80 R86 L99	E78-K82 VanDerWaalsContact CD-NZ 3.32Å; E78-K82 HydrophobicContact CG-CD 4.16Å; E78-K82 HydrophobicContact CG-CG 4.44Å; E78-K82 WeakPolarHBondContact O-CB 3.23Å; E78-K82 VanDerWaalsContact O-CG 3.29Å; E78-K82 WeakPolarHBondContact O-CG 3.4Å; E78-K82 PolarHBondContact O-N 3.46Å; E78-K82 WeakPolarHBondContact OE1-CE 3.32Å; E78-K82 IonicContact OE1-NZ 3.44Å; E78-K82 PolarHBondContact OE1-NZ 2.85Å; K79-K82 PolarHBondContact O-N 3.3Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 2.88Å; K82-R86 WeakPolarHBondContact O-CB 3.47Å; K82-R86 VanDerWaalsContact O-CG 3.31Å; K82-R86 WeakPolarHBondContact O-CG 3.47Å; K82-R86 PolarHBondContact O-N 2.98Å; K82-L99 HydrophobicContact CG-CD1 3.54Å
83	E	98.8	Very high	98.6	Very high	100 Å²	100	58 Å²	58	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-49.2	177.6	-74.3	170.7	-176.7	0	0	110.8	K79 V80 R86 A87	K79-E83 WeakPolarHBondContact CE-OE1 3.36Å; K79-E83 WeakPolarHBondContact CG-OE1 3.47Å; K79-E83 WeakPolarHBondContact O-CG 3.21Å; K79-E83 PolarHBondContact O-N 3.14Å; V80-E83 PolarHBondContact O-N 3.27Å; V80-E83 VanDerWaalsContact O-N 3.17Å; E83-R86 PolarHBondContact O-N 3.39Å; E83-A87 WeakPolarHBondContact O-CB 3.2Å; E83-A87 PolarHBondContact O-N 2.72Å; E83-A87 VanDerWaalsContact O-N 3.08Å
84	I	98.8	Very high	98.6	Very high	6 Å²	6	58 Å²	58	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-47	176.2	-62	176.9	0	0	0	110.3	V80 R86 A87 V88 M121 F136 V137 V140	V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 HydrophobicContact CG1-CG1 4.36Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 2.83Å; I84-R86 VanDerWaalsContact C-N 3.34Å; I84-R86 PolarHBondContact O-N 3.33Å; I84-A87 PolarHBondContact O-N 3.31Å; I84-V88 HydrophobicContact CG2-CG1 4.21Å; I84-V88 WeakPolarHBondContact O-CG2 3.49Å; I84-V88 PolarHBondContact O-N 2.99Å; I84-M121 HydrophobicContact CB-CE 4.17Å; I84-M121 HydrophobicContact CB-SD 4.42Å; I84-M121 HydrophobicContact CG2-CE 3.94Å; I84-M121 HydrophobicContact CG2-SD 4.31Å; I84-F136 HydrophobicContact CG2-CE1 4.46Å; I84-V137 HydrophobicContact CG2-CG2 4.16Å; I84-V140 HydrophobicContact CD1-CG2 4.21Å; I84-V140 HydrophobicContact CG1-CG2 3.92Å
85	A	98.9	Very high	98.6	Very high	13 Å²	13	58.1 Å²	58.1	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-56.2	-45.6	-179.8	0	0	0	0	0	112.6	A81 V88 V89 V97 L99 M121	A81-A85 WeakPolarHBondContact O-CB 3.47Å; A81-A85 PolarHBondContact O-N 3.46Å; A85-V88 VanDerWaalsContact O-CG2 3.31Å; A85-V88 WeakPolarHBondContact O-CG2 3.18Å; A85-V89 WeakPolarHBondContact O-CG2 3.27Å; A85-V89 PolarHBondContact O-N 3.08Å; A85-V97 HydrophobicContact CB-CB 3.95Å; A85-V97 HydrophobicContact CB-CG1 3.78Å; A85-V97 HydrophobicContact CB-CG2 4.19Å; A85-L99 HydrophobicContact CB-CD2 4.43Å; A85-M121 HydrophobicContact CB-CE 3.85Å
86	R	98.8	Very high	98.6	Very high	159 Å²	159	59.7 Å²	59.7	60%	0.6	28%	0.284	S	S	*	.	H	α-helix	trans	-63.6	-49	177	-74.7	175	179.9	154.9	-1.1	110.9	K82 E83 I84 V88 V89 E90	K82-R86 WeakPolarHBondContact O-CB 3.47Å; K82-R86 VanDerWaalsContact O-CG 3.31Å; K82-R86 WeakPolarHBondContact O-CG 3.47Å; K82-R86 PolarHBondContact O-N 2.98Å; E83-R86 PolarHBondContact O-N 3.39Å; I84-R86 VanDerWaalsContact C-N 3.34Å; I84-R86 PolarHBondContact O-N 3.33Å; R86-V88 PolarHBondContact O-N 2.76Å; R86-V89 PolarHBondContact O-N 2.76Å; R86-E90 WeakPolarHBondContact O-CB 3.49Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 3.47Å
87	A	98.7	Very high	98.6	Very high	21 Å²	21	59.4 Å²	59.4	17%	0.174	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-41.4	-176.2	0	0	0	0	0	112.9	E83 I84 V89 E90 K91 F136	E83-A87 WeakPolarHBondContact O-CB 3.2Å; E83-A87 PolarHBondContact O-N 2.72Å; E83-A87 VanDerWaalsContact O-N 3.08Å; I84-A87 PolarHBondContact O-N 3.31Å; A87-V89 VanDerWaalsContact C-N 3.33Å; A87-V89 PolarHBondContact O-N 2.88Å; A87-E90 PolarHBondContact O-N 2.79Å; A87-K91 VanDerWaalsContact O-CB 3.25Å; A87-K91 WeakPolarHBondContact O-CB 3.45Å; A87-K91 WeakPolarHBondContact O-CG 3.39Å; A87-K91 PolarHBondContact O-N 2.87Å; A87-F136 HydrophobicContact CB-CE1 3.86Å; A87-F136 HydrophobicContact CB-CZ 3.48Å; A87-F136 VanDerWaalsContact CB-CZ 3.48Å
88	V	98.8	Very high	98.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-33.6	178.9	-63	0	0	0	0	112.5	I84 A85 R86 R92 L93 A94 V97 L133 F136	I84-V88 HydrophobicContact CG2-CG1 4.21Å; I84-V88 WeakPolarHBondContact O-CG2 3.49Å; I84-V88 PolarHBondContact O-N 2.99Å; A85-V88 VanDerWaalsContact O-CG2 3.31Å; A85-V88 WeakPolarHBondContact O-CG2 3.18Å; R86-V88 PolarHBondContact O-N 2.76Å; V88-R92 PolarHBondContact O-N 2.9Å; V88-L93 HydrophobicContact CB-CB 4.28Å; V88-L93 WeakPolarHBondContact O-CA 3.39Å; V88-L93 PolarHBondContact O-N 2.95Å; V88-A94 HydrophobicContact CB-CB 4.32Å; V88-A94 HydrophobicContact CG2-CB 4.02Å; V88-A94 PolarHBondContact O-N 2.77Å; V88-A94 VanDerWaalsContact O-N 3.15Å; V88-V97 HydrophobicContact CG2-CG2 3.81Å; V88-L133 HydrophobicContact CB-CD1 3.97Å; V88-L133 HydrophobicContact CG1-CD1 3.57Å; V88-F136 HydrophobicContact CG1-CD1 3.38Å; V88-F136 HydrophobicContact CG1-CE1 3.55Å
89	V	98.7	Very high	98.6	Very high	61 Å²	61	57.9 Å²	57.9	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-73.9	-45.4	176.3	175.1	0	0	0	0	110.7	A85 R86 A87 K91 R92 A94 V97	A85-V89 WeakPolarHBondContact O-CG2 3.27Å; A85-V89 PolarHBondContact O-N 3.08Å; R86-V89 PolarHBondContact O-N 2.76Å; A87-V89 VanDerWaalsContact C-N 3.33Å; A87-V89 PolarHBondContact O-N 2.88Å; V89-K91 VanDerWaalsContact C-N 3.3Å; V89-K91 PolarHBondContact O-N 3.15Å; V89-R92 WeakPolarHBondContact O-CA 3.41Å; V89-R92 PolarHBondContact O-N 2.9Å; V89-A94 WeakPolarHBondContact CA-O 3.42Å; V89-V97 HydrophobicContact CG2-CG2 4.05Å
90	E	98.1	Very high	98.6	Very high	152 Å²	152	54.5 Å²	54.5	71%	0.71	27%	0.265	S	S	*	.	H	α-helix	trans	-60.1	-39.5	176.5	-74.9	171.4	-166.4	0	0	112.2	R86 A87 R92	R86-E90 WeakPolarHBondContact O-CB 3.49Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 3.47Å; A87-E90 PolarHBondContact O-N 2.79Å; E90-R92 PolarHBondContact O-N 3Å
91	K	97.8	Very high	98.6	Very high	124 Å²	124	56.8 Å²	56.8	54%	0.539	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.1	175.4	-68.4	173.5	-178.4	-68.3	0	113.7	A87 V89 L93 F136	A87-K91 VanDerWaalsContact O-CB 3.25Å; A87-K91 WeakPolarHBondContact O-CB 3.45Å; A87-K91 WeakPolarHBondContact O-CG 3.39Å; A87-K91 PolarHBondContact O-N 2.87Å; V89-K91 VanDerWaalsContact C-N 3.3Å; V89-K91 PolarHBondContact O-N 3.15Å; K91-L93 HydrophobicContact CB-CD1 4.18Å; K91-L93 HydrophobicContact CB-CG 4.01Å; K91-L93 HydrophobicContact CD-CD1 4.44Å; K91-L93 PolarHBondContact O-N 3.43Å; K91-L93 VanDerWaalsContact O-N 3.15Å; K91-F136 HydrophobicContact CD-CD2 3.91Å; K91-F136 HydrophobicContact CD-CE2 3.69Å; K91-F136 HydrophobicContact CD-CZ 4.17Å; K91-F136 VanDerWaalsContact CE-CE2 3.42Å
92	R	98.3	Very high	98.6	Very high	104 Å²	104	65.1 Å²	65.1	39%	0.392	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	23.1	-177.5	-56.4	174.6	66.5	89.1	-3.3	113.6	V88 V89 E90 A94 Q166 V167 T168 E169	V88-R92 PolarHBondContact O-N 2.9Å; V89-R92 WeakPolarHBondContact O-CA 3.41Å; V89-R92 PolarHBondContact O-N 2.9Å; E90-R92 PolarHBondContact O-N 3Å; R92-A94 VanDerWaalsContact C-N 3.28Å; R92-Q166 PolarHBondContact NH2-O 3.11Å; R92-V167 PolarHBondContact NE-O 2.89Å; R92-V167 PolarHBondContact NH1-O 3.1Å; R92-V167 VanDerWaalsContact NH2-C 3.26Å; R92-V167 PolarHBondContact NH2-O 3.49Å; R92-T168 WeakPolarHBondContact O-CB 3.17Å; R92-E169 PolarHBondContact NE-O 2.95Å; R92-E169 PolarHBondContact NH2-O 2.83Å; R92-E169 VanDerWaalsContact NH2-O 3.16Å
93	L	98.6	Very high	98.6	Very high	28 Å²	28	63 Å²	63	15%	0.147	31%	0.311	C	S	.	.	S	Bend	trans	-78	-17.5	171.9	-63.7	176.2	0	0	0	111.9	V88 K91 T125 A132 L133 F136	V88-L93 HydrophobicContact CB-CB 4.28Å; V88-L93 WeakPolarHBondContact O-CA 3.39Å; V88-L93 PolarHBondContact O-N 2.95Å; K91-L93 HydrophobicContact CB-CD1 4.18Å; K91-L93 HydrophobicContact CB-CG 4.01Å; K91-L93 HydrophobicContact CD-CD1 4.44Å; K91-L93 PolarHBondContact O-N 3.43Å; K91-L93 VanDerWaalsContact O-N 3.15Å; L93-T125 WeakPolarHBondContact O-CB 3.4Å; L93-T125 PolarHBondContact O-OG1 2.86Å; L93-A132 HydrophobicContact CD2-CB 3.91Å; L93-L133 HydrophobicContact CB-CD1 4.39Å; L93-F136 HydrophobicContact CD1-CB 3.55Å; L93-F136 HydrophobicContact CD1-CD1 4.26Å; L93-F136 HydrophobicContact CD1-CD2 4.42Å; L93-F136 HydrophobicContact CD1-CG 3.79Å
94	A	98.8	Very high	98.6	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.008	32%	0.315	C	S	.	.			trans	-146.1	150	173.4	0	0	0	0	0	111.2	V88 V89 R92 I123 T168	V88-A94 HydrophobicContact CB-CB 4.32Å; V88-A94 HydrophobicContact CG2-CB 4.02Å; V88-A94 PolarHBondContact O-N 2.77Å; V88-A94 VanDerWaalsContact O-N 3.15Å; V89-A94 WeakPolarHBondContact CA-O 3.42Å; R92-A94 VanDerWaalsContact C-N 3.28Å; A94-I123 HydrophobicContact CB-CG2 3.33Å; A94-T168 VanDerWaalsContact C-CG2 3.46Å
95	A	98.6	Very high	98.5	Very high	10 Å²	10	63.3 Å²	63.3	8%	0.083	32%	0.321	C	S	.	.	S	Bend	trans	-83.5	-37.6	175.4	0	0	0	0	0	111.9	K124 W163 V164 V167 T168	A95-K124 PolarHBondContact N-O 2.94Å; A95-W163 HydrophobicContact CB-CE3 4.44Å; A95-W163 HydrophobicContact CB-CH2 3.97Å; A95-W163 HydrophobicContact CB-CZ3 3.87Å; A95-W163 WeakPolarHBondContact O-CH2 3.36Å; A95-V164 HydrophobicContact CB-CB 4.06Å; A95-V164 HydrophobicContact CB-CG1 3.89Å; A95-V164 HydrophobicContact CB-CG2 3.99Å; A95-V167 HydrophobicContact CB-CG2 3.42Å; A95-V167 VanDerWaalsContact CB-CG2 3.42Å; A95-T168 HydrophobicContact CB-CG2 4Å
96	C	98.6	Very high	98.5	Very high	32 Å²	32	68 Å²	68	22%	0.216	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.6	-173.5	174.6	0	0	0	0	111	I123 K124 W163	C96-I123 WeakPolarHBondContact O-CA 3.38Å; C96-K124 PolarHBondContact N-O 3.34Å; C96-K124 PolarHBondContact O-N 2.59Å; C96-K124 WeakPolarHBondContact SG-CE 3.41Å; C96-K124 PolarHBondContact SG-NZ 3.19Å; C96-K124 VanDerWaalsContact SG-NZ 3.43Å; C96-W163 HydrophobicContact CB-CH2 4.04Å; C96-W163 HydrophobicContact CB-CZ3 4.22Å
97	V	98.9	Very high	98.5	Very high	26 Å²	26	65 Å²	65	16%	0.158	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.8	173.1	-176.8	0	0	0	0	108.9	A85 V88 V89 L99 M121 I123	A85-V97 HydrophobicContact CB-CB 3.95Å; A85-V97 HydrophobicContact CB-CG1 3.78Å; A85-V97 HydrophobicContact CB-CG2 4.19Å; V88-V97 HydrophobicContact CG2-CG2 3.81Å; V89-V97 HydrophobicContact CG2-CG2 4.05Å; V97-L99 HydrophobicContact CG1-CD2 3.97Å; V97-M121 HydrophobicContact CG1-CB 4.19Å; V97-M121 HydrophobicContact CG1-CE 3.7Å; V97-I123 HydrophobicContact CG1-CG1 4.07Å; V97-I123 HydrophobicContact CG2-CB 4.43Å; V97-I123 HydrophobicContact CG2-CG1 4.07Å; V97-I123 HydrophobicContact CG2-CG2 4.12Å
98	N	98.9	Very high	98.4	Very high	78 Å²	78	70.5 Å²	70.5	42%	0.417	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.8	166.9	-60.9	-14.6	0	0	0	108.1	M121 M122 K124	N98-M121 CarbonylContact O-C 3.58Å; N98-M121 WeakPolarHBondContact O-CA 3.38Å; N98-M122 HydrophobicContact CB-CB 4.33Å; N98-M122 PolarHBondContact N-O 3.25Å; N98-M122 PolarHBondContact O-N 2.65Å; N98-K124 PolarHBondContact ND2-NZ 3.31Å; N98-K124 PolarHBondContact OD1-NZ 3.43Å
99	L	98.8	Very high	98.3	Very high	54 Å²	54	77.5 Å²	77.5	28%	0.283	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.2	173.9	-59.3	-177.7	0	0	0	108.9	A81 K82 A85 V97 P101 V119 M121	A81-L99 HydrophobicContact CB-CD1 4.42Å; A81-L99 HydrophobicContact CB-CD2 3.92Å; K82-L99 HydrophobicContact CG-CD1 3.54Å; A85-L99 HydrophobicContact CB-CD2 4.43Å; V97-L99 HydrophobicContact CG1-CD2 3.97Å; L99-P101 WeakPolarHBondContact O-CD 2.99Å; L99-V119 HydrophobicContact CB-CG1 4.25Å; L99-V119 HydrophobicContact CD2-CG1 4.44Å; L99-M121 HydrophobicContact CD2-CB 4.27Å; L99-M121 HydrophobicContact CD2-CE 4.36Å; L99-M121 HydrophobicContact CD2-CG 3.68Å
100	I	98.8	Very high	98.1	Very high	74 Å²	74	83 Å²	83	38%	0.379	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	97.5	175.8	-55.6	167.6	0	0	0	106.1	I103 L120	I100-I103 HydrophobicContact CG2-CG2 4.11Å; I100-L120 HydrophobicContact CB-CB 4.23Å; I100-L120 HydrophobicContact CD1-CD2 4.18Å; I100-L120 PolarHBondContact N-O 3.16Å; I100-L120 PolarHBondContact O-N 3Å
101	P	98.3	Very high	98.1	Very high	68 Å²	68	78.7 Å²	78.7	44%	0.442	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	167.6	-177.6	34.4	-36.6	0	0	0	111.2	L99 I103	L99-P101 WeakPolarHBondContact O-CD 2.99Å; P101-I103 PolarHBondContact O-N 3.36Å
102	Q	97.5	Very high	98.1	Very high	175 Å²	175	79.7 Å²	79.7	82%	0.818	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.1	41	171.6	-54.4	-175.9	-53.5	0	0	113.7	E118	Q102-E118 PolarHBondContact N-O 3.47Å
103	I	98.5	Very high	98.1	Very high	36 Å²	36	80 Å²	80	19%	0.185	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	155.7	167	62.4	149.8	0	0	0	109.9	T74 I100 P101 S117 E118 L120	T74-I103 HydrophobicContact CG2-CD1 4.06Å; I100-I103 HydrophobicContact CG2-CG2 4.11Å; P101-I103 PolarHBondContact O-N 3.36Å; I103-S117 WeakPolarHBondContact O-CA 3.2Å; I103-E118 HydrophobicContact CD1-CB 3.73Å; I103-E118 HydrophobicContact CG1-CB 3.71Å; I103-E118 WeakPolarHBondContact CG1-O 3.47Å; I103-E118 PolarHBondContact N-O 3.07Å; I103-E118 VanDerWaalsContact N-O 3.11Å; I103-E118 PolarHBondContact O-N 2.95Å; I103-L120 HydrophobicContact CD1-CB 3.84Å; I103-L120 HydrophobicContact CG1-CB 4.41Å; I103-L120 HydrophobicContact CG2-CB 4.23Å
104	T	98.6	Very high	98.1	Very high	90 Å²	90	82 Å²	82	55%	0.552	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.7	171.1	-54.1	0	0	0	0	107.7	I106 E115 D116	T104-I106 HydrophobicContact CG2-CG1 4.2Å; T104-E115 HydrophobicContact CG2-CB 4.36Å; T104-D116 WeakPolarHBondContact CA-O 3.49Å
105	S	98.3	Very high	98.1	Very high	23 Å²	23	88.3 Å²	88.3	16%	0.161	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.7	175.2	-69.9	0	0	0	0	108.7	E115 D116 E118	S105-E115 WeakPolarHBondContact O-CA 3.35Å; S105-D116 PolarHBondContact N-O 3.33Å; S105-D116 PolarHBondContact O-N 2.89Å; S105-E118 VanDerWaalsContact CB-OE2 3.23Å; S105-E118 WeakPolarHBondContact CB-OE2 3.29Å; S105-E118 PolarHBondContact OG-OE2 3.17Å
106	I	98.6	Very high	98.1	Very high	111 Å²	111	90.6 Å²	90.6	57%	0.569	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.9	-180	-52.3	-176.4	0	0	0	107.5	T104 I113 E114 E115	T104-I106 HydrophobicContact CG2-CG1 4.2Å; I106-I113 HydrophobicContact CG2-CG2 3.63Å; I106-E114 WeakPolarHBondContact CA-O 3.33Å; I106-E115 HydrophobicContact CG1-CG 4.11Å; I106-E115 HydrophobicContact CG2-CG 4.36Å
107	Y	97.6	Very high	98	Very high	97 Å²	97	93.5 Å²	93.5	38%	0.38	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.4	-175.5	60.9	-85.2	0	0	0	111.5	W109 I113 E114 D116	Y107-W109 HydrophobicContact CD2-CB 4.17Å; Y107-W109 HydrophobicContact CE2-CB 3.89Å; Y107-I113 WeakPolarHBondContact O-CA 3.29Å; Y107-E114 HydrophobicContact CD2-CB 4.4Å; Y107-E114 HydrophobicContact CE1-CB 4.15Å; Y107-E114 HydrophobicContact CE2-CB 3.96Å; Y107-E114 HydrophobicContact CE2-CG 4.28Å; Y107-E114 PolarHBondContact N-O 2.96Å; Y107-E114 PolarHBondContact O-N 2.64Å; Y107-D116 HydrophobicContact CE1-CB 4.42Å; Y107-D116 WeakPolarHBondContact CE1-OD2 3.12Å; Y107-D116 PolarHBondContact OH-OD2 3.27Å
108	E	97.9	Very high	98	Very high	136 Å²	136	92.7 Å²	92.7	64%	0.636	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.2	173.8	-170.4	-177	142.9	0	0	110.5	G111 K112 I113	E108-G111 WeakPolarHBondContact OE1-CA 3.12Å; E108-K112 CarbonylContact C-O 3.44Å; E108-K112 WeakPolarHBondContact CA-O 3.37Å; E108-I113 HydrophobicContact CB-CD1 4.09Å; E108-I113 HydrophobicContact CG-CD1 4.4Å
109	W	95.7	Very high	98	Very high	148 Å²	148	89.3 Å²	89.3	56%	0.561	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.2	172.4	-171.3	-123.7	0	0	0	111	Y107 G111 K112 E114	Y107-W109 HydrophobicContact CD2-CB 4.17Å; Y107-W109 HydrophobicContact CE2-CB 3.89Å; W109-G111 PolarHBondContact O-N 3.18Å; W109-G111 VanDerWaalsContact O-N 3.15Å; W109-K112 PolarHBondContact N-O 2.91Å; W109-K112 PolarHBondContact O-N 2.87Å; W109-E114 HydrophobicContact CB-CG 3.94Å
110	K	95.8	Very high	98	Very high	177 Å²	177	88.4 Å²	88.4	77%	0.77	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	40.6	179.9	-61.1	-179.4	178.1	177	0	113.4	K112	K110-K112 VanDerWaalsContact C-N 3.33Å
111	G	97.9	Very high	98	Very high	61 Å²	61	84.9 Å²	84.9	63%	0.629	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	14.7	178.1	0	0	0	0	0	114.9	E108 W109	E108-G111 WeakPolarHBondContact OE1-CA 3.12Å; W109-G111 PolarHBondContact O-N 3.18Å; W109-G111 VanDerWaalsContact O-N 3.15Å
112	K	97.7	Very high	98.1	Very high	144 Å²	144	84.4 Å²	84.4	63%	0.626	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	145.3	174.7	-64.8	-175.9	-179.4	-178.6	0	110.1	E108 W109 K110	E108-K112 CarbonylContact C-O 3.44Å; E108-K112 WeakPolarHBondContact CA-O 3.37Å; W109-K112 PolarHBondContact N-O 2.91Å; W109-K112 PolarHBondContact O-N 2.87Å; K110-K112 VanDerWaalsContact C-N 3.33Å
113	I	98.4	Very high	98.1	Very high	110 Å²	110	76 Å²	76	56%	0.564	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.3	168.6	-57.7	-57.6	0	0	0	107.9	I106 Y107 E108	I106-I113 HydrophobicContact CG2-CG2 3.63Å; Y107-I113 WeakPolarHBondContact O-CA 3.29Å; E108-I113 HydrophobicContact CB-CD1 4.09Å; E108-I113 HydrophobicContact CG-CD1 4.4Å
114	E	98.1	Very high	98.1	Very high	71 Å²	71	75 Å²	75	33%	0.332	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.2	173.9	-61.4	-64.6	162.9	0	0	109.2	I106 Y107 W109	I106-E114 WeakPolarHBondContact CA-O 3.33Å; Y107-E114 HydrophobicContact CD2-CB 4.4Å; Y107-E114 HydrophobicContact CE1-CB 4.15Å; Y107-E114 HydrophobicContact CE2-CB 3.96Å; Y107-E114 HydrophobicContact CE2-CG 4.28Å; Y107-E114 PolarHBondContact N-O 2.96Å; Y107-E114 PolarHBondContact O-N 2.64Å; W109-E114 HydrophobicContact CB-CG 3.94Å
115	E	98.5	Very high	98.2	Very high	133 Å²	133	70.7 Å²	70.7	62%	0.621	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.6	175.1	-61.6	-172.1	-166.7	0	0	109.1	T104 S105 I106	T104-E115 HydrophobicContact CG2-CB 4.36Å; S105-E115 WeakPolarHBondContact O-CA 3.35Å; I106-E115 HydrophobicContact CG1-CG 4.11Å; I106-E115 HydrophobicContact CG2-CG 4.36Å
116	D	98	Very high	98.2	Very high	59 Å²	59	71 Å²	71	32%	0.316	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.1	-179.2	-74.7	-41.2	0	0	0	111.8	T104 S105 Y107 E118	T104-D116 WeakPolarHBondContact CA-O 3.49Å; S105-D116 PolarHBondContact N-O 3.33Å; S105-D116 PolarHBondContact O-N 2.89Å; Y107-D116 HydrophobicContact CE1-CB 4.42Å; Y107-D116 WeakPolarHBondContact CE1-OD2 3.12Å; Y107-D116 PolarHBondContact OH-OD2 3.27Å; D116-E118 HydrophobicContact CB-CG 4.26Å
117	S	98.1	Very high	98.2	Very high	92 Å²	92	67.2 Å²	67.2	64%	0.643	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.9	170.8	-172.8	0	0	0	0	110	I103	I103-S117 WeakPolarHBondContact O-CA 3.2Å
118	E	98.6	Very high	98.2	Very high	10 Å²	10	67 Å²	67	5%	0.047	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	178.1	-173.2	-63.6	-162.5	129.4	0	0	112.5	T74 C75 Q102 I103 S105 D116 Y143	T74-E118 WeakPolarHBondContact CB-OE2 3.42Å; C75-E118 WeakPolarHBondContact O-CA 3.23Å; C75-E118 WeakPolarHBondContact O-CB 3.43Å; Q102-E118 PolarHBondContact N-O 3.47Å; I103-E118 HydrophobicContact CD1-CB 3.73Å; I103-E118 HydrophobicContact CG1-CB 3.71Å; I103-E118 WeakPolarHBondContact CG1-O 3.47Å; I103-E118 PolarHBondContact N-O 3.07Å; I103-E118 VanDerWaalsContact N-O 3.11Å; I103-E118 PolarHBondContact O-N 2.95Å; S105-E118 VanDerWaalsContact CB-OE2 3.23Å; S105-E118 WeakPolarHBondContact CB-OE2 3.29Å; S105-E118 PolarHBondContact OG-OE2 3.17Å; D116-E118 HydrophobicContact CB-CG 4.26Å; E118-Y143 WeakPolarHBondContact OE1-CE2 3.45Å; E118-Y143 VanDerWaalsContact OE1-CZ 3.29Å; E118-Y143 PolarHBondContact OE1-OH 2.99Å
119	V	98.8	Very high	98.3	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.3	169.6	179.3	0	0	0	0	108.6	C75 E78 A81 L99	C75-V119 PolarHBondContact N-O 3.43Å; C75-V119 PolarHBondContact O-N 2.98Å; E78-V119 HydrophobicContact CB-CG2 4.17Å; A81-V119 HydrophobicContact CB-CB 4.08Å; A81-V119 HydrophobicContact CB-CG1 3.79Å; L99-V119 HydrophobicContact CB-CG1 4.25Å; L99-V119 HydrophobicContact CD2-CG1 4.44Å
120	L	98.9	Very high	98.4	Very high	35 Å²	35	56.4 Å²	56.4	18%	0.183	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.1	174.3	-177	64.3	0	0	0	110.1	F72 T74 I100 I103	F72-L120 HydrophobicContact CB-CD1 4.16Å; F72-L120 HydrophobicContact CD1-CD1 4.11Å; F72-L120 HydrophobicContact CD1-CD2 3.99Å; F72-L120 HydrophobicContact CD1-CG 4.12Å; F72-L120 HydrophobicContact CE1-CD2 4.43Å; T74-L120 HydrophobicContact CG2-CD1 3.77Å; I100-L120 HydrophobicContact CB-CB 4.23Å; I100-L120 HydrophobicContact CD1-CD2 4.18Å; I100-L120 PolarHBondContact N-O 3.16Å; I100-L120 PolarHBondContact O-N 3Å; I103-L120 HydrophobicContact CD1-CB 3.84Å; I103-L120 HydrophobicContact CG1-CB 4.41Å; I103-L120 HydrophobicContact CG2-CB 4.23Å
121	M	98.9	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.8	173.4	-52.5	176.9	62.3	0	0	109.4	F72 V73 C75 A81 I84 A85 V97 N98 L99 I123	F72-M121 VanDerWaalsContact CA-O 3.27Å; F72-M121 WeakPolarHBondContact CA-O 3.42Å; V73-M121 HydrophobicContact CB-CB 4.18Å; V73-M121 HydrophobicContact CB-SD 4.28Å; V73-M121 HydrophobicContact CG1-SD 4.25Å; V73-M121 PolarHBondContact N-O 3.34Å; V73-M121 VanDerWaalsContact N-O 3.08Å; V73-M121 WeakPolarHBondContact O-CB 3.18Å; V73-M121 PolarHBondContact O-N 3.03Å; C75-M121 PolarHBondContact SG-SD 2.84Å; A81-M121 HydrophobicContact CB-CG 4.22Å; A81-M121 HydrophobicContact CB-SD 4.28Å; I84-M121 HydrophobicContact CB-CE 4.17Å; I84-M121 HydrophobicContact CB-SD 4.42Å; I84-M121 HydrophobicContact CG2-CE 3.94Å; I84-M121 HydrophobicContact CG2-SD 4.31Å; A85-M121 HydrophobicContact CB-CE 3.85Å; V97-M121 HydrophobicContact CG1-CB 4.19Å; V97-M121 HydrophobicContact CG1-CE 3.7Å; N98-M121 CarbonylContact O-C 3.58Å; N98-M121 WeakPolarHBondContact O-CA 3.38Å; L99-M121 HydrophobicContact CD2-CB 4.27Å; L99-M121 HydrophobicContact CD2-CE 4.36Å; L99-M121 HydrophobicContact CD2-CG 3.68Å; M121-I123 HydrophobicContact CB-CD1 4.41Å; M121-I123 HydrophobicContact CB-CG1 4.13Å; M121-I123 HydrophobicContact CE-CD1 4.07Å; M121-I123 HydrophobicContact CE-CG1 4.42Å
122	M	98.9	Very high	98.6	Very high	58 Å²	58	50.9 Å²	50.9	29%	0.286	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	102.9	168.4	-175.1	-163.9	-179.6	0	0	109.7	A70 A71 F72 N98 K124	A70-M122 HydrophobicContact CB-CE 3.83Å; A71-M122 CarbonylContact O-C 3.54Å; A71-M122 WeakPolarHBondContact O-CA 3.43Å; F72-M122 HydrophobicContact CD1-CB 4.34Å; F72-M122 HydrophobicContact CD1-CG 4.45Å; F72-M122 HydrophobicContact CE1-CB 4.04Å; F72-M122 HydrophobicContact CE1-CG 3.84Å; F72-M122 HydrophobicContact CZ-CE 4.49Å; F72-M122 HydrophobicContact CZ-CG 4.03Å; N98-M122 HydrophobicContact CB-CB 4.33Å; N98-M122 PolarHBondContact N-O 3.25Å; N98-M122 PolarHBondContact O-N 2.65Å; M122-K124 HydrophobicContact CE-CD 4.31Å; M122-K124 HydrophobicContact CG-CD 4.3Å; M122-K124 PolarHBondContact O-NZ 3.01Å
123	I	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.4	-170.6	-52.4	179.6	0	0	0	109.3	A70 A71 V73 A94 C96 V97 M121 L133	A70-I123 CarbonylContact C-O 3.58Å; A70-I123 WeakPolarHBondContact CA-O 3.5Å; A71-I123 HydrophobicContact CB-CB 4.29Å; A71-I123 PolarHBondContact N-O 2.65Å; A71-I123 PolarHBondContact O-N 3.16Å; V73-I123 HydrophobicContact CB-CD1 4.41Å; V73-I123 HydrophobicContact CG2-CD1 3.75Å; A94-I123 HydrophobicContact CB-CG2 3.33Å; C96-I123 WeakPolarHBondContact O-CA 3.38Å; V97-I123 HydrophobicContact CG1-CG1 4.07Å; V97-I123 HydrophobicContact CG2-CB 4.43Å; V97-I123 HydrophobicContact CG2-CG1 4.07Å; V97-I123 HydrophobicContact CG2-CG2 4.12Å; M121-I123 HydrophobicContact CB-CD1 4.41Å; M121-I123 HydrophobicContact CB-CG1 4.13Å; M121-I123 HydrophobicContact CE-CD1 4.07Å; M121-I123 HydrophobicContact CE-CG1 4.42Å; I123-L133 HydrophobicContact CB-CD2 4.4Å; I123-L133 HydrophobicContact CD1-CD1 4.28Å; I123-L133 HydrophobicContact CD1-CD2 4.31Å; I123-L133 HydrophobicContact CG2-CD1 4.36Å; I123-L133 HydrophobicContact CG2-CD2 3.81Å
124	K	98.9	Very high	98.6	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.7	176.7	-72.7	74.4	61.1	-175	0	109.2	A95 C96 N98 M122	A95-K124 PolarHBondContact N-O 2.94Å; C96-K124 PolarHBondContact N-O 3.34Å; C96-K124 PolarHBondContact O-N 2.59Å; C96-K124 WeakPolarHBondContact SG-CE 3.41Å; C96-K124 PolarHBondContact SG-NZ 3.19Å; C96-K124 VanDerWaalsContact SG-NZ 3.43Å; N98-K124 PolarHBondContact ND2-NZ 3.31Å; N98-K124 PolarHBondContact OD1-NZ 3.43Å; M122-K124 HydrophobicContact CE-CD 4.31Å; M122-K124 HydrophobicContact CG-CD 4.3Å; M122-K124 PolarHBondContact O-NZ 3.01Å
125	T	98.9	Very high	98.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	170.2	-177.9	-167.7	0	0	0	0	111.5	V68 S69 L93 V130 L133	V68-T125 WeakPolarHBondContact CA-O 3.44Å; V68-T125 WeakPolarHBondContact CG1-O 3.42Å; S69-T125 PolarHBondContact N-O 2.9Å; S69-T125 PolarHBondContact O-N 3.38Å; L93-T125 WeakPolarHBondContact O-CB 3.4Å; L93-T125 PolarHBondContact O-OG1 2.86Å; T125-V130 HydrophobicContact CG2-CG2 4.2Å; T125-L133 HydrophobicContact CG2-CD2 4.01Å
126	Q	98.6	Very high	98.7	Very high	30 Å²	30	36.3 Å²	36.3	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.6	167.5	-70.4	-179.2	78.5	0	0	109.9	S128 L129 R165 T168	Q126-S128 PolarHBondContact O-N 2.56Å; Q126-L129 HydrophobicContact CB-CD1 4.12Å; Q126-L129 HydrophobicContact CB-CG 4.15Å; Q126-L129 WeakPolarHBondContact O-CB 3.21Å; Q126-L129 PolarHBondContact O-N 2.81Å; Q126-R165 HydrophobicContact CG-CB 4.35Å; Q126-R165 HydrophobicContact CG-CG 4.48Å; Q126-R165 PolarHBondContact NE2-O 3.14Å; Q126-T168 WeakPolarHBondContact CG-OG1 3.45Å; Q126-T168 PolarHBondContact NE2-OG1 3.09Å
127	S	98.7	Very high	98.7	Very high	31 Å²	31	33.5 Å²	33.5	22%	0.217	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.7	179.9	-58.9	0	0	0	0	112.5	G66 S67 V68 S69 L129 V130	G66-S127 WeakPolarHBondContact O-CB 3.46Å; G66-S127 PolarHBondContact O-OG 3.06Å; S67-S127 VanDerWaalsContact C-OG 3.31Å; S67-S127 PolarHBondContact O-N 3.18Å; S67-S127 PolarHBondContact O-OG 2.9Å; V68-S127 PolarHBondContact N-OG 2.85Å; V68-S127 PolarHBondContact O-OG 3.41Å; S69-S127 PolarHBondContact N-OG 2.93Å; S69-S127 WeakPolarHBondContact OG-CB 3.28Å; S69-S127 PolarHBondContact OG-OG 3.38Å; S127-L129 PolarHBondContact O-N 2.82Å; S127-V130 WeakPolarHBondContact O-CB 3.29Å; S127-V130 WeakPolarHBondContact O-CG2 3.46Å; S127-V130 PolarHBondContact O-N 2.89Å
128	S	98.4	Very high	98.7	Very high	93 Å²	93	36.5 Å²	36.5	65%	0.65	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-65.7	-21.8	174.1	54	0	0	0	0	114.1	Q126	Q126-S128 PolarHBondContact O-N 2.56Å
129	L	98.7	Very high	98.7	Very high	37 Å²	37	40.3 Å²	40.3	19%	0.194	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-92	-7.2	179.2	-66.8	176.3	0	0	0	113.2	Q126 S127 P131 A132 L133 T168	Q126-L129 HydrophobicContact CB-CD1 4.12Å; Q126-L129 HydrophobicContact CB-CG 4.15Å; Q126-L129 WeakPolarHBondContact O-CB 3.21Å; Q126-L129 PolarHBondContact O-N 2.81Å; S127-L129 PolarHBondContact O-N 2.82Å; L129-P131 VanDerWaalsContact C-N 3.34Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-A132 VanDerWaalsContact O-N 3.14Å; L129-L133 WeakPolarHBondContact O-CB 3.25Å; L129-L133 PolarHBondContact O-N 2.97Å; L129-T168 HydrophobicContact CD1-CG2 4.44Å
130	V	98.8	Very high	98.7	Very high	24 Å²	24	43.3 Å²	43.3	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-54.3	-44.6	179.4	173.9	0	0	0	0	112	T125 S127 A132 L133 T134 A150	T125-V130 HydrophobicContact CG2-CG2 4.2Å; S127-V130 WeakPolarHBondContact O-CB 3.29Å; S127-V130 WeakPolarHBondContact O-CG2 3.46Å; S127-V130 PolarHBondContact O-N 2.89Å; V130-A132 PolarHBondContact O-N 3.33Å; V130-L133 WeakPolarHBondContact O-CB 3.5Å; V130-L133 PolarHBondContact O-N 2.93Å; V130-T134 WeakPolarHBondContact O-CB 3.43Å; V130-T134 PolarHBondContact O-N 3.47Å; V130-T134 PolarHBondContact O-OG1 3.24Å; V130-A150 HydrophobicContact CG1-CB 3.88Å; V130-A150 HydrophobicContact CG2-CB 4.12Å
131	P	98.8	Very high	98.6	Very high	81 Å²	81	42.3 Å²	42.3	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-58.7	-46.3	176	-25.6	35.9	0	0	0	113.4	L129 L133 T134 D135	L129-P131 VanDerWaalsContact C-N 3.34Å; P131-L133 PolarHBondContact O-N 3.38Å; P131-T134 PolarHBondContact O-N 3.42Å; P131-D135 PolarHBondContact O-N 3.15Å
132	A	98.6	Very high	98.6	Very high	41 Å²	41	46.1 Å²	46.1	34%	0.339	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-36.2	179.2	0	0	0	0	0	112.4	L93 L129 V130 F136	L93-A132 HydrophobicContact CD2-CB 3.91Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-A132 VanDerWaalsContact O-N 3.14Å; V130-A132 PolarHBondContact O-N 3.33Å; A132-F136 WeakPolarHBondContact O-CB 3.4Å; A132-F136 PolarHBondContact O-N 3.31Å
133	L	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-49.3	171.3	173.5	66.5	0	0	0	110.6	A71 V88 L93 I123 T125 L129 V130 P131 F136 V137	A71-L133 HydrophobicContact CB-CD2 4.06Å; V88-L133 HydrophobicContact CB-CD1 3.97Å; V88-L133 HydrophobicContact CG1-CD1 3.57Å; L93-L133 HydrophobicContact CB-CD1 4.39Å; I123-L133 HydrophobicContact CB-CD2 4.4Å; I123-L133 HydrophobicContact CD1-CD1 4.28Å; I123-L133 HydrophobicContact CD1-CD2 4.31Å; I123-L133 HydrophobicContact CG2-CD1 4.36Å; I123-L133 HydrophobicContact CG2-CD2 3.81Å; T125-L133 HydrophobicContact CG2-CD2 4.01Å; L129-L133 WeakPolarHBondContact O-CB 3.25Å; L129-L133 PolarHBondContact O-N 2.97Å; V130-L133 WeakPolarHBondContact O-CB 3.5Å; V130-L133 PolarHBondContact O-N 2.93Å; P131-L133 PolarHBondContact O-N 3.38Å; L133-F136 PolarHBondContact O-N 3.41Å; L133-V137 HydrophobicContact CD1-CG2 4.23Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 2.88Å
134	T	98.8	Very high	98.1	Very high	40 Å²	40	56.1 Å²	56.1	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-44.6	178.5	-60.5	0	0	0	0	111.6	V130 P131 F136 V137 R138 V148	V130-T134 WeakPolarHBondContact O-CB 3.43Å; V130-T134 PolarHBondContact O-N 3.47Å; V130-T134 PolarHBondContact O-OG1 3.24Å; P131-T134 PolarHBondContact O-N 3.42Å; T134-F136 VanDerWaalsContact C-N 3.34Å; T134-F136 PolarHBondContact O-N 3.08Å; T134-V137 PolarHBondContact O-N 3.48Å; T134-R138 WeakPolarHBondContact O-CB 3.42Å; T134-R138 PolarHBondContact O-N 3.35Å; T134-V148 HydrophobicContact CG2-CB 4.24Å; T134-V148 HydrophobicContact CG2-CG1 4.39Å; T134-V148 HydrophobicContact CG2-CG2 4.33Å; T134-V148 WeakPolarHBondContact OG1-CG1 3.33Å
135	D	98.7	Very high	98	Very high	80 Å²	80	61.7 Å²	61.7	43%	0.428	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-43.2	177.3	-74.8	-25.7	0	0	0	111.6	P131 R138 S139	P131-D135 PolarHBondContact O-N 3.15Å; D135-R138 IonicContact OD1-CZ 2.82Å; D135-R138 IonicContact OD1-NH1 3.58Å; D135-R138 IonicContact OD1-NH2 2.62Å; D135-R138 PolarHBondContact OD1-NH2 3.49Å; D135-S139 PolarHBondContact O-N 3.15Å; D135-S139 VanDerWaalsContact O-N 3.08Å
136	F	98.7	Very high	98	Very high	32 Å²	32	62.7 Å²	62.7	14%	0.14	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-50.8	175.4	175.6	-97.5	0	0	0	111.6	I84 A87 V88 K91 L93 A132 L133 T134 R138 S139 V140	I84-F136 HydrophobicContact CG2-CE1 4.46Å; A87-F136 HydrophobicContact CB-CE1 3.86Å; A87-F136 HydrophobicContact CB-CZ 3.48Å; A87-F136 VanDerWaalsContact CB-CZ 3.48Å; V88-F136 HydrophobicContact CG1-CD1 3.38Å; V88-F136 HydrophobicContact CG1-CE1 3.55Å; K91-F136 HydrophobicContact CD-CD2 3.91Å; K91-F136 HydrophobicContact CD-CE2 3.69Å; K91-F136 HydrophobicContact CD-CZ 4.17Å; K91-F136 VanDerWaalsContact CE-CE2 3.42Å; L93-F136 HydrophobicContact CD1-CB 3.55Å; L93-F136 HydrophobicContact CD1-CD1 4.26Å; L93-F136 HydrophobicContact CD1-CD2 4.42Å; L93-F136 HydrophobicContact CD1-CG 3.79Å; A132-F136 WeakPolarHBondContact O-CB 3.4Å; A132-F136 PolarHBondContact O-N 3.31Å; L133-F136 PolarHBondContact O-N 3.41Å; T134-F136 VanDerWaalsContact C-N 3.34Å; T134-F136 PolarHBondContact O-N 3.08Å; F136-R138 VanDerWaalsContact C-N 3.32Å; F136-R138 PolarHBondContact O-N 2.82Å; F136-S139 WeakPolarHBondContact O-CB 3.48Å; F136-S139 PolarHBondContact O-N 3.19Å; F136-S139 PolarHBondContact O-OG 3.4Å; F136-V140 HydrophobicContact CE1-CG2 3.99Å; F136-V140 HydrophobicContact CE2-CG1 4.05Å; F136-V140 HydrophobicContact CZ-CG1 4.07Å; F136-V140 HydrophobicContact CZ-CG2 4.07Å; F136-V140 PolarHBondContact O-N 2.91Å
137	V	98.6	Very high	98	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-54.7	-51.1	178.4	170.6	0	0	0	0	109.5	V73 I84 L133 T134 S139 V140 H141 A146 V148	V73-V137 HydrophobicContact CG1-CG1 3.91Å; I84-V137 HydrophobicContact CG2-CG2 4.16Å; L133-V137 HydrophobicContact CD1-CG2 4.23Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 2.88Å; T134-V137 PolarHBondContact O-N 3.48Å; V137-S139 PolarHBondContact O-N 2.68Å; V137-S139 VanDerWaalsContact O-N 3.16Å; V137-V140 PolarHBondContact O-N 3.02Å; V137-V140 VanDerWaalsContact O-N 3.09Å; V137-H141 HydrophobicContact CG1-CB 4.33Å; V137-H141 WeakPolarHBondContact O-CB 3.5Å; V137-H141 PolarHBondContact O-N 3.44Å; V137-A146 HydrophobicContact CG1-CB 4.16Å; V137-V148 HydrophobicContact CB-CG2 4.25Å; V137-V148 HydrophobicContact CG1-CG2 3.82Å
138	R	98.3	Very high	98	Very high	156 Å²	156	65 Å²	65	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-55.8	-35.1	177.6	-175.1	176.8	64.4	-146.7	-9.1	113.1	T134 D135 F136 V140	T134-R138 WeakPolarHBondContact O-CB 3.42Å; T134-R138 PolarHBondContact O-N 3.35Å; D135-R138 IonicContact OD1-CZ 2.82Å; D135-R138 IonicContact OD1-NH1 3.58Å; D135-R138 IonicContact OD1-NH2 2.62Å; D135-R138 PolarHBondContact OD1-NH2 3.49Å; F136-R138 VanDerWaalsContact C-N 3.32Å; F136-R138 PolarHBondContact O-N 2.82Å; R138-V140 VanDerWaalsContact C-N 3.31Å; R138-V140 PolarHBondContact O-N 2.85Å
139	S	98.2	Very high	98	Very high	89 Å²	89	65 Å²	65	62%	0.622	35%	0.354	S	S	*	.	H	α-helix	trans	-71.7	-21.7	-178.6	75.4	0	0	0	0	114.6	D135 F136 V137	D135-S139 PolarHBondContact O-N 3.15Å; D135-S139 VanDerWaalsContact O-N 3.08Å; F136-S139 WeakPolarHBondContact O-CB 3.48Å; F136-S139 PolarHBondContact O-N 3.19Å; F136-S139 PolarHBondContact O-OG 3.4Å; V137-S139 PolarHBondContact O-N 2.68Å; V137-S139 VanDerWaalsContact O-N 3.16Å
140	V	98.2	Very high	98	Very high	69 Å²	69	65.2 Å²	65.2	42%	0.418	36%	0.361	S	S	.	.	H	α-helix	trans	-121.2	-10.5	-175.9	-58.2	0	0	0	0	113.6	I84 F136 V137 R138	I84-V140 HydrophobicContact CD1-CG2 4.21Å; I84-V140 HydrophobicContact CG1-CG2 3.92Å; F136-V140 HydrophobicContact CE1-CG2 3.99Å; F136-V140 HydrophobicContact CE2-CG1 4.05Å; F136-V140 HydrophobicContact CZ-CG1 4.07Å; F136-V140 HydrophobicContact CZ-CG2 4.07Å; F136-V140 PolarHBondContact O-N 2.91Å; V137-V140 PolarHBondContact O-N 3.02Å; V137-V140 VanDerWaalsContact O-N 3.09Å; R138-V140 VanDerWaalsContact C-N 3.31Å; R138-V140 PolarHBondContact O-N 2.85Å
141	H	98.1	Very high	98	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.065	38%	0.378	C	S	.	.			trans	-71.7	137	-175.8	-156.9	-93.2	0	0	0	111.2	T74 C75 V137 Y143 A146	T74-H141 PolarHBondContact O-NE2 3.47Å; C75-H141 PolarHBondContact SG-NE2 3.43Å; V137-H141 HydrophobicContact CG1-CB 4.33Å; V137-H141 WeakPolarHBondContact O-CB 3.5Å; V137-H141 PolarHBondContact O-N 3.44Å; H141-Y143 VanDerWaalsContact C-N 3.27Å; H141-Y143 AromaticContact CE1-CD2 3.4Å; H141-Y143 WeakPolarHBondContact CE1-CD2 3.47Å; H141-Y143 AromaticContact CE1-CE2 3.95Å; H141-Y143 AromaticContact CE1-CG 3.54Å; H141-Y143 WeakPolarHBondContact ND1-CB 3.39Å; H141-Y143 AromaticContact ND1-CD2 3.87Å; H141-Y143 AromaticContact ND1-CG 3.63Å; H141-Y143 PolarHBondContact ND1-N 3.02Å; H141-Y143 VanDerWaalsContact ND1-N 3.19Å; H141-Y143 PolarHBondContact O-N 2.62Å; H141-A146 HydrophobicContact CB-CB 3.72Å
142	P	97.3	Very high	98	Very high	80 Å²	80	68.5 Å²	68.5	52%	0.519	38%	0.376	S	S	.	.	S	Bend	trans	-66.7	-25.3	178.8	-23.8	34.9	0	0	0	114.6	P76 V80	P76-P142 HydrophobicContact CG-CB 4.4Å; P76-P142 HydrophobicContact CG-CG 4.02Å; V80-P142 HydrophobicContact CG1-CG 3.92Å; V80-P142 HydrophobicContact CG2-CG 4.1Å
143	Y	95.7	Very high	98	Very high	77 Å²	77	68.1 Å²	68.1	30%	0.302	37%	0.37	S	S	.	.	S	Bend	trans	-79.7	142.1	178.1	-58.6	-15.4	0	0	0	111.4	P76 E118 H141 V145	P76-Y143 WeakPolarHBondContact CA-OH 3.43Å; P76-Y143 HydrophobicContact CB-CE1 3.86Å; P76-Y143 WeakPolarHBondContact CB-OH 3.48Å; P76-Y143 HydrophobicContact CG-CE1 4.13Å; E118-Y143 WeakPolarHBondContact OE1-CE2 3.45Å; E118-Y143 VanDerWaalsContact OE1-CZ 3.29Å; E118-Y143 PolarHBondContact OE1-OH 2.99Å; H141-Y143 VanDerWaalsContact C-N 3.27Å; H141-Y143 AromaticContact CE1-CD2 3.4Å; H141-Y143 WeakPolarHBondContact CE1-CD2 3.47Å; H141-Y143 AromaticContact CE1-CE2 3.95Å; H141-Y143 AromaticContact CE1-CG 3.54Å; H141-Y143 WeakPolarHBondContact ND1-CB 3.39Å; H141-Y143 AromaticContact ND1-CD2 3.87Å; H141-Y143 AromaticContact ND1-CG 3.63Å; H141-Y143 PolarHBondContact ND1-N 3.02Å; H141-Y143 VanDerWaalsContact ND1-N 3.19Å; H141-Y143 PolarHBondContact O-N 2.62Å; Y143-V145 PolarHBondContact O-N 3.19Å
144	E	93.1	Very high	98	Very high	192 Å²	192	73 Å²	73	90%	0.897	39%	0.393	S	S	*	.	S	Bend	trans	-58.8	-38.1	175.3	-62.8	173.4	179.8	0	0	111.8
145	V	97.2	Very high	97.9	Very high	129 Å²	129	79.1 Å²	79.1	78%	0.782	42%	0.418	S	S	*	.	S	Bend	trans	-126	95.5	174.9	-174.7	0	0	0	0	108.1	Y143	Y143-V145 PolarHBondContact O-N 3.19Å
146	A	97.9	Very high	97.8	Very high	21 Å²	21	78 Å²	78	17%	0.174	43%	0.425	C	S	.	.			trans	-70.8	133.9	176.6	0	0	0	0	0	111	V137 H141 V148	V137-A146 HydrophobicContact CG1-CB 4.16Å; H141-A146 HydrophobicContact CB-CB 3.72Å; A146-V148 PolarHBondContact O-N 3.17Å
147	E	98.6	Very high	97.8	Very high	79 Å²	79	81.7 Å²	81.7	37%	0.369	45%	0.447	S	S	.	.			trans	-69	119.8	169.6	-173.2	-168	141.3	0	0	109.5	V73 T74	V73-E147 WeakPolarHBondContact CA-O 3.31Å; V73-E147 WeakPolarHBondContact CG1-O 3.31Å; T74-E147 WeakPolarHBondContact CG2-OE2 3.43Å; T74-E147 VanDerWaalsContact OG1-CB 3.23Å; T74-E147 WeakPolarHBondContact OG1-CB 3.33Å; T74-E147 PolarHBondContact OG1-OE2 2.89Å
148	V	98.8	Very high	97.7	Very high	32 Å²	32	84.8 Å²	84.8	19%	0.194	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	111.3	169.5	-172.8	0	0	0	0	108.1	F72 V73 T134 V137 A146	F72-V148 WeakPolarHBondContact O-CA 3.47Å; V73-V148 HydrophobicContact CG2-CB 4.36Å; V73-V148 HydrophobicContact CG2-CG1 4.03Å; V73-V148 HydrophobicContact CG2-CG2 4.02Å; T134-V148 HydrophobicContact CG2-CB 4.24Å; T134-V148 HydrophobicContact CG2-CG1 4.39Å; T134-V148 HydrophobicContact CG2-CG2 4.33Å; T134-V148 WeakPolarHBondContact OG1-CG1 3.33Å; V137-V148 HydrophobicContact CB-CG2 4.25Å; V137-V148 HydrophobicContact CG1-CG2 3.82Å; A146-V148 PolarHBondContact O-N 3.17Å
149	I	98.8	Very high	97.6	Very high	93 Å²	93	80.9 Å²	80.9	48%	0.477	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149	174.7	61.8	176.2	0	0	0	109.6	A71 F72	A71-I149 CarbonylContact C-O 3.54Å; A71-I149 WeakPolarHBondContact CA-O 3.03Å; F72-I149 HydrophobicContact CB-CD1 4.38Å; F72-I149 HydrophobicContact CB-CG1 3.84Å; F72-I149 PolarHBondContact N-O 2.96Å; F72-I149 PolarHBondContact O-N 3.46Å
150	A	98.8	Very high	97.6	Very high	41 Å²	41	80.7 Å²	80.7	34%	0.339	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.1	-177.9	0	0	0	0	0	111.5	A71 V130	A71-A150 HydrophobicContact CB-CB 4.17Å; V130-A150 HydrophobicContact CG1-CB 3.88Å; V130-A150 HydrophobicContact CG2-CB 4.12Å
151	L	98.8	Very high	97.6	Very high	98 Å²	98	77.8 Å²	77.8	51%	0.513	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.4	176.7	-57.3	-179.9	0	0	0	109.7	S69 A70 F72	S69-L151 CarbonylContact C-O 3.59Å; S69-L151 VanDerWaalsContact CA-O 3.29Å; S69-L151 WeakPolarHBondContact CA-O 3.42Å; A70-L151 PolarHBondContact N-O 3.29Å; A70-L151 PolarHBondContact O-N 3.16Å; F72-L151 HydrophobicContact CD2-CD1 4.45Å; F72-L151 HydrophobicContact CE2-CD1 3.84Å; F72-L151 HydrophobicContact CE2-CG 4.35Å
152	P	98.7	Very high	97.6	Very high	75 Å²	75	80.6 Å²	80.6	49%	0.487	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.7	178	30.1	-34.5	0	0	0	110.8
153	V	98.6	Very high	97.6	Very high	34 Å²	34	80.2 Å²	80.2	21%	0.206	43%	0.425	C	S	.	.			trans	-89.5	113	170.3	178.4	0	0	0	0	108.1	Y63 G66 V68 Q155 L161	Y63-V153 VanDerWaalsContact CE1-O 3.28Å; Y63-V153 WeakPolarHBondContact CE1-O 3.34Å; Y63-V153 VanDerWaalsContact CZ-O 3.32Å; Y63-V153 PolarHBondContact OH-O 3.19Å; G66-V153 PolarHBondContact N-O 2.57Å; V68-V153 HydrophobicContact CB-CB 4.34Å; V68-V153 HydrophobicContact CG1-CB 4.36Å; V68-V153 HydrophobicContact CG1-CG2 4.04Å; V68-V153 WeakPolarHBondContact O-CB 3.4Å; V68-V153 PolarHBondContact O-N 3.09Å; V153-Q155 VanDerWaalsContact CG1-O 3.29Å; V153-Q155 WeakPolarHBondContact CG1-O 3.46Å; V153-L161 HydrophobicContact CG1-CD2 4.04Å
154	E	98.4	Very high	97.8	Very high	103 Å²	103	76.6 Å²	76.6	48%	0.481	41%	0.41	S	S	.	.			trans	-82.3	-35.8	-178.6	-65.1	-55.7	136.3	0	0	112.6	Y63 P65	Y63-E154 WeakPolarHBondContact CE1-O 3.35Å; P65-E154 WeakPolarHBondContact CB-OE2 3.43Å
155	Q	97.5	Very high	98	Very high	168 Å²	168	74.1 Å²	74.1	79%	0.785	39%	0.393	S	S	*	.	S	Bend	trans	-148.4	163.2	-175.6	-64.5	178.7	62.4	0	0	110.2	V153	V153-Q155 VanDerWaalsContact CG1-O 3.29Å; V153-Q155 WeakPolarHBondContact CG1-O 3.46Å
156	G	96.8	Very high	98	Very high	55 Å²	55	71.9 Å²	71.9	57%	0.567	37%	0.374	S	S	*	.			trans	167.8	-170.3	175.2	0	0	0	0	0	112.5	F158	G156-F158 PolarHBondContact O-N 2.88Å
157	N	98	Very high	98	Very high	111 Å²	111	72.8 Å²	72.8	59%	0.594	38%	0.377	S	S	*	.			trans	-70.3	110.9	177.7	-175.2	28.3	0	0	0	110.4	P159 Y160 L161	N157-P159 WeakPolarHBondContact OD1-CD 3.38Å; N157-Y160 WeakPolarHBondContact O-CB 3.46Å; N157-Y160 PolarHBondContact O-N 3.31Å; N157-L161 PolarHBondContact O-N 3.26Å; N157-L161 VanDerWaalsContact O-N 3.09Å
158	F	96.3	Very high	97.9	Very high	65 Å²	65	69.3 Å²	69.3	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-54.1	-49.6	-172.7	174.9	-95.9	0	0	0	114	S61 G156 Y160 L161 Q162	S61-F158 WeakPolarHBondContact O-CE2 3.44Å; S61-F158 WeakPolarHBondContact O-CZ 3.37Å; S61-F158 WeakPolarHBondContact OG-CZ 3.41Å; G156-F158 PolarHBondContact O-N 2.88Å; F158-Y160 PolarHBondContact O-N 2.93Å; F158-L161 PolarHBondContact O-N 3.18Å; F158-L161 VanDerWaalsContact O-N 3.1Å; F158-Q162 HydrophobicContact CE1-CB 4.45Å; F158-Q162 HydrophobicContact CZ-CB 4.34Å; F158-Q162 WeakPolarHBondContact O-CB 3.48Å; F158-Q162 PolarHBondContact O-N 3.41Å
159	P	97.1	Very high	97.6	Very high	73 Å²	73	71.5 Å²	71.5	47%	0.474	37%	0.369	S	S	.	.	H	α-helix	trans	-54.1	-35.9	174.5	-28.5	34.4	0	0	0	114.5	N157 W163	N157-P159 WeakPolarHBondContact OD1-CD 3.38Å; P159-W163 WeakPolarHBondContact O-CB 3.44Å; P159-W163 PolarHBondContact O-N 3.48Å
160	Y	98.2	Very high	96.8	Very high	86 Å²	86	72 Å²	72	34%	0.337	38%	0.381	S	S	.	.	H	α-helix	trans	-70	-44.5	177.1	174.8	-96.8	0	0	0	111.6	N157 F158 Q162 W163 V164	N157-Y160 WeakPolarHBondContact O-CB 3.46Å; N157-Y160 PolarHBondContact O-N 3.31Å; F158-Y160 PolarHBondContact O-N 2.93Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q162 PolarHBondContact O-N 3.04Å; Y160-W163 HydrophobicContact CD2-CE3 4.02Å; Y160-W163 HydrophobicContact CD2-CZ3 4.35Å; Y160-W163 AromaticContact CE2-CE3 3.84Å; Y160-W163 HydrophobicContact CE2-CE3 3.84Å; Y160-W163 AromaticContact CE2-CZ3 3.71Å; Y160-W163 HydrophobicContact CE2-CZ3 3.71Å; Y160-W163 WeakPolarHBondContact O-CB 3.47Å; Y160-W163 PolarHBondContact O-N 3.29Å; Y160-V164 HydrophobicContact CD1-CG2 4.24Å; Y160-V164 HydrophobicContact CE1-CG2 3.8Å; Y160-V164 WeakPolarHBondContact O-CG2 2.84Å; Y160-V164 PolarHBondContact O-N 3.03Å
161	L	98.2	Very high	95.1	Very high	8 Å²	8	75.9 Å²	75.9	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-66.1	-36.4	179.3	-62.6	169.8	0	0	0	111.2	Y63 V68 V153 N157 F158 V164 R165	Y63-L161 HydrophobicContact CD1-CD1 3.84Å; Y63-L161 HydrophobicContact CD2-CB 3.78Å; Y63-L161 HydrophobicContact CD2-CD1 3.58Å; Y63-L161 HydrophobicContact CD2-CG 4.19Å; Y63-L161 HydrophobicContact CE1-CD1 3.99Å; Y63-L161 HydrophobicContact CE2-CB 4Å; Y63-L161 HydrophobicContact CE2-CD1 3.75Å; Y63-L161 HydrophobicContact CE2-CD2 4.17Å; Y63-L161 HydrophobicContact CE2-CG 4.18Å; Y63-L161 HydrophobicContact CG-CD1 3.63Å; V68-L161 HydrophobicContact CB-CD2 4.16Å; V68-L161 HydrophobicContact CG1-CD2 4.11Å; V68-L161 HydrophobicContact CG2-CD2 4.21Å; V153-L161 HydrophobicContact CG1-CD2 4.04Å; N157-L161 PolarHBondContact O-N 3.26Å; N157-L161 VanDerWaalsContact O-N 3.09Å; F158-L161 PolarHBondContact O-N 3.18Å; F158-L161 VanDerWaalsContact O-N 3.1Å; L161-V164 PolarHBondContact O-N 3.2Å; L161-R165 PolarHBondContact O-N 3.3Å
162	Q	97.3	Very high	92.9	Very high	72 Å²	72	75.8 Å²	75.8	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-44.9	171.7	-169.3	-177.9	14.8	0	0	111.4	F158 Y160 V164 R165 Q166	F158-Q162 HydrophobicContact CE1-CB 4.45Å; F158-Q162 HydrophobicContact CZ-CB 4.34Å; F158-Q162 WeakPolarHBondContact O-CB 3.48Å; F158-Q162 PolarHBondContact O-N 3.41Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q162 PolarHBondContact O-N 3.04Å; Q162-V164 PolarHBondContact O-N 2.95Å; Q162-R165 PolarHBondContact O-N 3.25Å; Q162-Q166 HydrophobicContact CG-CG 4.49Å; Q162-Q166 WeakPolarHBondContact O-CG 3.35Å; Q162-Q166 PolarHBondContact O-N 2.94Å
163	W	98	Very high	90.4	Very high	73 Å²	73	79.1 Å²	79.1	28%	0.277	42%	0.422	S	S	.	.	H	α-helix	trans	-59.3	-44.3	175	168.2	79.3	0	0	0	112.1	A95 C96 P159 Y160 R165 Q166 V167	A95-W163 HydrophobicContact CB-CE3 4.44Å; A95-W163 HydrophobicContact CB-CH2 3.97Å; A95-W163 HydrophobicContact CB-CZ3 3.87Å; A95-W163 WeakPolarHBondContact O-CH2 3.36Å; C96-W163 HydrophobicContact CB-CH2 4.04Å; C96-W163 HydrophobicContact CB-CZ3 4.22Å; P159-W163 WeakPolarHBondContact O-CB 3.44Å; P159-W163 PolarHBondContact O-N 3.48Å; Y160-W163 HydrophobicContact CD2-CE3 4.02Å; Y160-W163 HydrophobicContact CD2-CZ3 4.35Å; Y160-W163 AromaticContact CE2-CE3 3.84Å; Y160-W163 HydrophobicContact CE2-CE3 3.84Å; Y160-W163 AromaticContact CE2-CZ3 3.71Å; Y160-W163 HydrophobicContact CE2-CZ3 3.71Å; Y160-W163 WeakPolarHBondContact O-CB 3.47Å; Y160-W163 PolarHBondContact O-N 3.29Å; W163-R165 VanDerWaalsContact C-N 3.26Å; W163-R165 PolarHBondContact O-N 3.22Å; W163-Q166 PolarHBondContact O-N 3.2Å; W163-V167 HydrophobicContact CG-CG1 4.44Å; W163-V167 HydrophobicContact CZ2-CG2 4.2Å; W163-V167 VanDerWaalsContact NE1-CG1 3.34Å; W163-V167 WeakPolarHBondContact O-CG2 3.34Å; W163-V167 PolarHBondContact O-N 3.02Å
164	V	98.4	Very high	87.9	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-54.1	-46	176.9	169.6	0	0	0	0	110.7	V68 A95 Y160 L161 Q162 T168	V68-V164 HydrophobicContact CG1-CG1 4.06Å; V68-V164 HydrophobicContact CG2-CB 4.39Å; V68-V164 HydrophobicContact CG2-CG1 3.98Å; A95-V164 HydrophobicContact CB-CB 4.06Å; A95-V164 HydrophobicContact CB-CG1 3.89Å; A95-V164 HydrophobicContact CB-CG2 3.99Å; Y160-V164 HydrophobicContact CD1-CG2 4.24Å; Y160-V164 HydrophobicContact CE1-CG2 3.8Å; Y160-V164 WeakPolarHBondContact O-CG2 2.84Å; Y160-V164 PolarHBondContact O-N 3.03Å; L161-V164 PolarHBondContact O-N 3.2Å; Q162-V164 PolarHBondContact O-N 2.95Å; V164-T168 WeakPolarHBondContact O-CG2 3.38Å; V164-T168 PolarHBondContact O-N 3.18Å; V164-T168 PolarHBondContact O-OG1 2.75Å
165	R	97.4	Very high	85.5	Confident	141 Å²	141	82.7 Å²	82.7	53%	0.532	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-53	176.5	176.1	176	166.9	166	0.8	111.8	Q126 L161 Q162 W163 V167 T168 E169	Q126-R165 HydrophobicContact CG-CB 4.35Å; Q126-R165 HydrophobicContact CG-CG 4.48Å; Q126-R165 PolarHBondContact NE2-O 3.14Å; L161-R165 PolarHBondContact O-N 3.3Å; Q162-R165 PolarHBondContact O-N 3.25Å; W163-R165 VanDerWaalsContact C-N 3.26Å; W163-R165 PolarHBondContact O-N 3.22Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.46Å; R165-T168 CarbonylContact O-C 3.49Å; R165-T168 PolarHBondContact O-N 3.09Å; R165-T168 PolarHBondContact O-OG1 3.12Å; R165-E169 HydrophobicContact CG-CG 4.17Å; R165-E169 WeakPolarHBondContact CG-OE1 2.87Å; R165-E169 IonicContact CZ-OE1 3.47Å; R165-E169 IonicContact NE-OE1 2.67Å; R165-E169 PolarHBondContact NE-OE1 3.46Å; R165-E169 IonicContact NH2-OE1 3.78Å; R165-E169 PolarHBondContact NH2-OE1 3.4Å; R165-E169 WeakPolarHBondContact O-CG 3.41Å; R165-E169 PolarHBondContact O-N 2.85Å
166	Q	97.1	Very high	83	Confident	81 Å²	81	80.4 Å²	80.4	38%	0.379	46%	0.457	S	S	.	.	H	α-helix	trans	-57.8	-41.2	-175.8	-73.2	170.7	-7.1	0	0	113.6	R92 Q162 W163 T168	R92-Q166 PolarHBondContact NH2-O 3.11Å; Q162-Q166 HydrophobicContact CG-CG 4.49Å; Q162-Q166 WeakPolarHBondContact O-CG 3.35Å; Q162-Q166 PolarHBondContact O-N 2.94Å; W163-Q166 PolarHBondContact O-N 3.2Å; Q166-T168 PolarHBondContact O-N 2.99Å
167	V	98.1	Very high	80.7	Confident	41 Å²	41	84.2 Å²	84.2	25%	0.248	47%	0.469	C	S	.	.	H	α-helix	trans	-80.3	-6.8	-179.2	-55.4	0	0	0	0	113.6	R92 A95 W163 R165	R92-V167 PolarHBondContact NE-O 2.89Å; R92-V167 PolarHBondContact NH1-O 3.1Å; R92-V167 VanDerWaalsContact NH2-C 3.26Å; R92-V167 PolarHBondContact NH2-O 3.49Å; A95-V167 HydrophobicContact CB-CG2 3.42Å; A95-V167 VanDerWaalsContact CB-CG2 3.42Å; W163-V167 HydrophobicContact CG-CG1 4.44Å; W163-V167 HydrophobicContact CZ2-CG2 4.2Å; W163-V167 VanDerWaalsContact NE1-CG1 3.34Å; W163-V167 WeakPolarHBondContact O-CG2 3.34Å; W163-V167 PolarHBondContact O-N 3.02Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.46Å
168	T	97.7	Very high	77.9	Confident	5 Å²	5	86 Å²	86	3%	0.031	48%	0.478	C	S	.	.	H	α-helix	trans	-116.5	-1.6	177	59.3	0	0	0	0	113.4	R92 A94 A95 Q126 L129 V164 R165 Q166 S170	R92-T168 WeakPolarHBondContact O-CB 3.17Å; A94-T168 VanDerWaalsContact C-CG2 3.46Å; A95-T168 HydrophobicContact CB-CG2 4Å; Q126-T168 WeakPolarHBondContact CG-OG1 3.45Å; Q126-T168 PolarHBondContact NE2-OG1 3.09Å; L129-T168 HydrophobicContact CD1-CG2 4.44Å; V164-T168 WeakPolarHBondContact O-CG2 3.38Å; V164-T168 PolarHBondContact O-N 3.18Å; V164-T168 PolarHBondContact O-OG1 2.75Å; R165-T168 CarbonylContact O-C 3.49Å; R165-T168 PolarHBondContact O-N 3.09Å; R165-T168 PolarHBondContact O-OG1 3.12Å; Q166-T168 PolarHBondContact O-N 2.99Å; T168-S170 PolarHBondContact O-N 3.14Å
169	E	92.3	Very high	76.1	Confident	78 Å²	78	91.9 Å²	91.9	36%	0.364	52%	0.523	S	S	.	.			trans	-62.6	132.1	169.6	-85.3	174.4	176.9	0	0	110.1	R92 R165	R92-E169 PolarHBondContact NE-O 2.95Å; R92-E169 PolarHBondContact NH2-O 2.83Å; R92-E169 VanDerWaalsContact NH2-O 3.16Å; R165-E169 HydrophobicContact CG-CG 4.17Å; R165-E169 WeakPolarHBondContact CG-OE1 2.87Å; R165-E169 IonicContact CZ-OE1 3.47Å; R165-E169 IonicContact NE-OE1 2.67Å; R165-E169 PolarHBondContact NE-OE1 3.46Å; R165-E169 IonicContact NH2-OE1 3.78Å; R165-E169 PolarHBondContact NH2-OE1 3.4Å; R165-E169 WeakPolarHBondContact O-CG 3.41Å; R165-E169 PolarHBondContact O-N 2.85Å
170	S	80.2	Confident	75.1	Confident	103 Å²	103	92.9 Å²	92.9	72%	0.72	53%	0.525	S	S	*	.			trans	-70.4	128.1	168.4	54.9	0	0	0	0	108.6	T168 S172	T168-S170 PolarHBondContact O-N 3.14Å; S170-S172 PolarHBondContact O-N 2.78Å
171	V	63.4	Low	73.9	Confident	124 Å²	124	93.2 Å²	93.2	75%	0.752	54%	0.535	S	S	*	.			trans	-66.9	102.2	168.5	-176.1	0	0	0	0	106.5	D173	V171-D173 PolarHBondContact O-N 3.2Å
172	S	52.9	Low	72.5	Confident	96 Å²	96	97.9 Å²	97.9	67%	0.671	56%	0.562	S	S	*	*			trans	-76.3	117.6	164.9	45	0	0	0	0	106.5	S170 S174	S170-S172 PolarHBondContact O-N 2.78Å; S172-S174 PolarHBondContact O-N 3.07Å
173	D	46.7	Very low	71.1	Confident	145 Å²	145	99.5 Å²	99.5	78%	0.775	58%	0.576	S	S	*	*			trans	-61.8	99.4	172.3	-88.2	-31.1	0	0	0	108.6	V171 S175	V171-D173 PolarHBondContact O-N 3.2Å; D173-S175 PolarHBondContact O-N 3.3Å
174	S	46.9	Very low	69.4	Low	109 Å²	109	101.1 Å²	101.1	76%	0.762	59%	0.594	S	S	*	*			trans	-80.2	23.4	172.7	57.7	0	0	0	0	112.8	S172	S172-S174 PolarHBondContact O-N 3.07Å
175	S	47.2	Very low	67.5	Low	102 Å²	102	107.9 Å²	107.9	71%	0.713	63%	0.634	S	S	*	*			trans	-110	59.5	179.7	-60.6	0	0	0	0	111.8	D173	D173-S175 PolarHBondContact O-N 3.3Å
176	T	45.9	Very low	65.3	Low	120 Å²	120	105.5 Å²	105.5	74%	0.736	64%	0.641	S	S	*	*			trans	-146	70	154.6	-47	0	0	0	0	109.2	L178	T176-L178 HydrophobicContact CG2-CD1 4.28Å
177	V	47.9	Very low	62.9	Low	136 Å²	136	107.4 Å²	107.4	82%	0.824	66%	0.662	S	S	*	*			trans	-97.5	98	152.7	-179	0	0	0	0	105.3
178	L	38.9	Very low	59.9	Low	148 Å²	148	112.9 Å²	112.9	78%	0.775	70%	0.696	S	S	*	*			trans	-101.4	122.8	165.6	-84.6	164.8	0	0	0	108	T176	T176-L178 HydrophobicContact CG2-CD1 4.28Å
179	P	59.2	Low	56.5	Low	189 Å²	189	122.7 Å²	122.7	100%	1.227	76%	0.756	S	S	*	*			trans	-70.9	0	157	30.7	-31.3	0	0	0	111.8

Retrieved 179 of 179 residues in 65.6 ms (Link to these results)

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